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List of available PhD theses

"Transparent ceramics for optical applications synthetized by pressure- or vacuum-assisted sintering methods

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology

Annotation

Transparent ceramics can compete with single crystalline materials not only in the stage of research and development but also in the final application. The thesis will be focused on the synthesis of oxide ceramics applicable in the laser or LED field, or utilizable at the detection of ionizing radiation. Spark plasma sintering (SPS) or vacuum sintering will be used for the processing of precursor powders whose optimal crystallinity and microstructure will be also the task of the thesis.

2D materials based on graphene and related materials for energy storage

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programme: Chemistry
Theses supervisor: doc. RNDr. Martin Pumera, Ph.D.

2D materials for heterogeneous catalysis

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemistry, Chemie
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

Annotation

Thesis is focused on study of 2D materials (layered chalcogenides and carbides) for applications in heterogeneous chemical and electrochemical catalysis. Research mainly focus on synthesis and application exploration in the field of catalysis and biocatalysis using supports based on 2D materials for chemical and electrochemical synthesis.

2D materials for photo-electrochemical decomposition of water

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemistry, Chemie
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

Annotation

This thesis is focused on the use of 2D nanomaterials based on layered chalcogenides and their composites for photo-electrochemical water splitting. Student will work on tailoring of their properties by doping, surface functionalization and composition optimization in order to reduce overpotential for photocatalytic hydrogen evolution and optimize the response of materials to different wavelengths of light in the visible and ultraviolet region.

2D nanomaterials for energy applications

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemistry, Chemie
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

Annotation

This thesis is focused on the investigation of applications of new layered materials based on transition metal chalcogenides for the construction of cathodes in Li and Na batteries. These materials will be studied in terms of the relation between their structure and composition; and their stability and capacity. The prepared materials will be studied in detail using advanced analytical techniques (HR-SEM and HR-TEM; AFM; XPS; Raman spectroscopy; electrochemical techniques).

2D nanomaterials for the detection of pollutants in the environment

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Theses supervisor: doc. RNDr. Martin Pumera, Ph.D.

Annotation

Candidate will fabricate 2D materials for environmental remediation. He/she will develop efficient catalyst to remove nitroaromatic and pesticide pollutants in ground waters using electrochemical and photoelectrochemical methods. More on www.nanorobots.cz

3D printing for electrochemical sensors and biosensors for environmental remediation

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programme: Chemistry
Theses supervisor: doc. RNDr. Martin Pumera, Ph.D.

3D printing for the preparation of 3D graphene electrodes for detecting the decontamination of pollutants in the environment

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Theses supervisor: doc. RNDr. Martin Pumera, Ph.D.

Annotation

Candidate will fabricate 3D printed electrodes for environmental remediation. He/she will develop efficient catalyst to remove nitroaromatic and pesticide pollutants in ground waters. More onwww.nanorobots.cz

3D superresolution microscopy for accessing mitochondrial ultramorphology

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: RNDr. Petr Ježek, CSc.

Annotation

3D nanoscopy has not yet assessed mitochondrial cristae morphology, nor the internal structure of mitochondrial DNA (mtDNA) & protein complexes, termed nucleoids. Hence, we’ll survey 3D-redistribution of cristae and their shaping proteins or nucleois employing our prototype Vutara 3D superresolution microscope for stochastic techniques such a PALM and dSTORM. We will conduct studies under physiological situations vs. pathology (type-2 diabetes, cancer) using dSTORM with nanobodies or FRET excited PALM/dSTORM. Thus nm changes will be reflected by novel 3D nanoscopy methods. Also mtDNA nucleoids will be studied at increased and diminished mitochondrial biogenesis, while applying own mitoFISH nanoscopy for D-loop counting. Artificial manipulations of nucleoid size and mtDNA content will be studied as well as nucleoid division. Results will be translated into specific protocols for 3D nanoscopy, specifically developing novel relevant 3D image analyses based upon the Ripley’s K-function and Delaunay algorithm. Molecular cell biology will thus be combined with up-to-date 3D nanoscopy. Note, the molecular biology techniques will be conducted and be ready for the applicants by the coworkers of the Department No.75.

Cutibacterium acnes: virulence factors and mobile genetic elements

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie
Theses supervisor: Ing. Kamila Zdeňková, Ph.D.

Annotation

The gram-positive bacterium Cutibacterium acnes (formerly Propionibacterium acnes) is a skin commensal under physiological conditions, but it can also be an opportunistic pathogen causing invasive chronic infections. The most well-known diseases associated with C. acnes include Acne vulgaris; however, the connection with a number of other diseases is also clinically significant. The pathogenicity of C. acnes is due to a number of virulence factors, one of which is the formation of a biofilm, which increases the resistance of bacteria to antibiotics and other bactericidal substances, which negatively affects the effectiveness of treatment. C. acnes phylotype IA1, associated with acne, produce virulence factors as hemolysins, CAMP factors, neuraminidase, heat shock proteins (HSP) or lipase etc. Much of genes responsible for virulence and resistance is located on mobile genetic elements (MGEs). As part of the solution of this work, virulence factors will be studied using classical microbiological and modern molecular-biological methods.

A Systematic State of the Art Method Development Strategy for the Determination of Pharmaceutical Genotoxic Impurities

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

A new generation of materials and approaches for detecting and destroying of pharmaceutical contaminants in the aquatic environment

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Study programme: Drugs and Biomaterials
Theses supervisor: Mgr. Oleksiy Lyutakov, Ph.D.

Ab initio photodynamics in condensed phase: Method development and applications

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Annotation

Computational photodynamics is a fast evolving field. At present, we are able to simulate ultrafast porcesses in medium-sized molecules. This Thesis focuses on developement and applications of photodynamical methods describing light-induced processes in condensed phase. For more information, see http://photox.vscht.cz/

Ab initio simulations of structural, thermodynamic and transport properties of metalorganic frameworks

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Theses supervisor: Ing. Ctirad Červinka, Ph. D.

Acid whey and the possibility of its further processing

Department: Department of Dairy, Fat and Cosmetics, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Ladislav Čurda, CSc.

Annotation

Acid whey is difficult treatable by-product of quark and some types of yogurt due to high content of salts and lactic acid. Electrodialysis in combination with other membrane and chromatographic processes is potentially applicable technology for valorisation of acid whey. The aim of thesis is to propose and to verify suitable configuration and conditions of acid whey processing. Application of electrodialysis with bipolar membranes is assumed too. Attention will be also focused on utilization of waste streams, from which could be isolated lactic acid or phosphates.

Advanced Methods of Adaptive Filtering for Novelty Detection

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering
Theses supervisor: doc. Ing. Jan Mareš, Ph.D.

Annotation

The topic of the work is focused on the development and implementation of the methodology of so-called novelty detection in process data. The project is based on the analysis of selected real (complex) process data. The work assumes (i) study of advanced methods of signal analysis, (ii) design of specific methods and algorithms for adaptive data filtering and novelty detection using the Extrem Seeking Entropy method (iii) implementation and verification.

Advanced Signal Processing Methods in Development of Virtual Control Board

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering
Theses supervisor: doc. Ing. Jan Mareš, Ph.D.

Annotation

The project is devoted to design of virtual control board of selected real technological process. The work is based on analysis of selected biomedical data, 3D modelling and virtual reality. The project assumes (i) study of advanced methods of biomedical signal analysis and 3D modelling (ii) the proposal of specific algorithms for virtualisation, 3D modelling and process control, (iii) implementation and verification.

Advanced bactericidal coatings with long-lasting effect

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Study programme: Drugs and Biomaterials
Theses supervisor: doc. Ing. Jakub Siegel, Ph.D.

Annotation

Experimental work focused on the optimization of immobilization of metal nanoparticles on polymeric supports for the preparation of a new generation of antimicrobial surfaces. Nanoparticle immobilization will be acomplished by physical methods based on the interaction of prepared particles with laser radiation. Antibacterial effects and biocompatibility of developed surfaces will be evaluated in cooperation with the Department of Biochemistry and Microbiology VŠCHT Prague.

Advanced composites based on magnesium oxychloride and layered nanomaterials

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programme: Chemie

Annotation

In this dissertation thesis, reactive magnesia-based composites will be prepared and characterized. The Sorel cement phase 5 (Mg3(OH)5Cl.H2O, MOC) will be used as a matrix and carbon-based layered nanomaterials (graphene, graphite oxide) will be used as an additive. Also, various types of alternative fillers will be used. All prepared samples will be characterized in terms of their phase and chemical composition, morphology and thermal behavior. The prepared macroscopic samples will be subjected to mechanical testing.

Advanced formulation approaches for topical delivery

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Although skin appears to be a macroscopically homogeneous and biologically passive structure, it is exactly the opposite: it is incredibly heterogeneous both chemically and structurally, and it is host to a diversity of active cells such as macrophages and bacteria. Traditional approaches to topical delivery have relied on relatively simple systems such as passive diffusion from water- or oil-based solutions or creams/gels. The aim of this project is to investigate bioactive transport as a mechanism for topical delivery and find a solution to such molecules as therapeutic peptides, which are known to be extremely challenging to formulate and delivery to the body. This project will explore the use of drug delivery systems that are actively phagocytised for targeting macrophages residing in the skin. These drug delivery systems will include naturally sourced polysaccharide shells or lipidic vesicles obtained from single-cell organisms. Their mild immunogenicity, biocompatibility and ability to encapsulate a broad range of molecules will be utilized for the formulation of APIs that have proven to be challenging by traditional means.

Advanced high-entropy alloys with modifiable properties

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: Ing. Filip Průša, Ph.D.

Annotation

High entropy alloys belong to a relatively new group of materials which are characterized by the preferential formation of solid solutions instead of intermetallic compounds. These materials exhibit several excellent properties, foremostly high strengths while maintaining sufficient ductility, good corrosion resistance and others. By suitable processing of these alloys, it is possible to achieve further substantial improvement of these already very good properties. The work will be focused on the preparation of new advanced high-entropy alloys combining significantly higher strengths while maintaining sufficient plasticity.

Advanced macromolecular systems for the genetic vaccine delivery

Department: Department of Polymers, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Richard Laga, Ph.D.

Annotation

Active immunization of the body using vaccines has gained an indispensable role in the prophylaxis of various types of infectious diseases. In terms of safety and efficacy, vaccines based on modified viral RNA or DNA (so-called genetic vaccines), encoding protein antigens on the surface of microbial pathogens (viruses or bacteria) or tumor cells responsible for eliciting an immune response, are of great promise to the future. However, a limiting factor for genetic vaccines is the low stability of nucleic acids in the blood and the moderate immunogenicity. An elegant solution is the use of a macromolecular systems based on synthetic polycations, which form electrostatic complexes with nucleic acids protecting them from degradation. In addition, polycation allows the attachment of an immunostimulatory molecule (so-called adjuvant) to its structure, which significantly increases the immune response towards the antigen. The synthesis and physicochemical characterization of methacrylamide-based cationic polymers and their ability to complex, stabilize and release nucleic acids at various physiological conditions will be studied. The conjugation of imidazoquinoline-based adjuvants with polycations will also be addressed. Biological testing of macromolecular genetic vaccines will be realized in a cooperation with the foreign partner.

Advanced materials for green hydrogen preparation

Department: Department of Solid State Engineering, Faculty of Chemical Technology

Advanced methods and applications of SERS

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Theses supervisor: Mgr. Oleksiy Lyutakov, Ph.D.

Advanced methods of facial data analysis for the evaluation of the rehabilitation process

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering
Theses supervisor: doc. Ing. Jan Mareš, Ph.D.

Annotation

Analysis of biomedical data is currently in great demand, but at the same time quite a difficult task. The project is based on cooperation with the University Hospital Královské Vinohrady and is focused on capturing 3D facial data of patients after depth surgery and analysis of this data. The work assumes (i) the study of advanced methods of image analysis, (ii) the design of a specific methodology and algorithm for data acquisition using various HW tools: Kinect, mobile phone, etc.), (iii) processing of these biomedical data and (iv) implementation and verification in a hospital environment.

Advanced statistical methods and their application on biomedical data

Department: Department of Mathematics, Faculty of Chemical Engineering
Theses supervisor: Mgr. Ing. Pavel Kříž, Ph.D.

Annotation

Biomedical data often show very complex structure (many correlated variables, autocorrelation in time and/or space, high-dimensional data, high-frequency data etc.). Its correct statistical analysis is not a routine, it requires creativity in combination with use of various advanced statistical methods and techniques. The objective of this work is to explore and study advanced methods from different fields of statistics (such as multivariate statistics, time series analysis, functional data analysis etc.) and design their appropriate combinations (or develop their modifications) in order to extract important and useful information from selected biomedical data. Emphasis is put on rigorous approach to assumption verification and results interpretation (incl. assessment of their reliability using exact of simulation techniques).

Advanced structures and materials for surface enhanced Raman spectroscopy

Department: Department of Solid State Engineering, Faculty of Chemical Technology

Alteration of materials on the clay cement interface

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Analysis of batch-to-glass conversion process

Department: Laboratory of Inorganic Materials, Faculty of Chemical Technology
Theses supervisor: Ing. Richard Pokorný, Ph.D.

Annotation

The goal of this project targets the analysis of one of the critical batch-to-glass conversion processes – the evolution and collapse of the primary foam at the batch-melt interface. This porous foam layer, which behaves as a form of insulation layer, results from the products of various gas evolving reactions that are being trapped in the primary melt. This project will focus on understanding the foam morphology, the reactions that lead to primary foaming.

Analysis of damage causes of historical objects

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology

Annotation

The damage causes of historical objects are not always easy to identify. When the damage is caused by microscopic changes in the materials microstructure, it is necessary to use advance analytical techniques, e.g. transmission electron microscopy. In this work, the results obtained from historical materials will be compared with model samples.

Analysis of fuel additives and determination of their content in motor fuels

Department: Department of Petroleum Technology and Alternative Fuels, Faculty of Environmental Technology
Study programme: Energie a paliva

Annotation

Motor fuels often contain low concentrations of special fuel additives, which improve their properties. The additives can be commonly added to motor fuels during their production, but they can be also added to motor fuels after basic refinery fuel formulation, mostly in form of additive packages present in premium motor fuels. There are also retail additive packages designed for fuel treatment directly in the fuel tanks of vehicles. The scope of the work is development and optimization of analytical methods designed for fuel additives, for their identification and determination of their content in motor fuels.

Analysis of multispecies biofilms of food-borne pathogenic bacteria

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie

Annotation

Most bacteria, due to their phenotypic adaptability, can live in a community called biofilm, which is often multi-species. Biofilm serves for their adherence, communication, protection and increases the resistance of bacteria to adverse environmental conditions. Its characteristic persistence, heterogeneity and complex dynamics are related to relatively difficult detection and problematic analyses by classical microbial methods. That is why such consortia are nowadays a challenge for many professionals. Multi-species biofilms of Listeria monocytogenes, Staphylococcus aureus and Escherichia coli, will be analysed during the course of the dissertation as selected representatives of food pathogens monitored under Commission Regulation (EC) 2073/2005. Classical microbiological and modern molecular-biological methods will be used. The multi-species biofilm study will also include analyses of gene expression levels and impact on biofilms of antibiotics or other selected antimicrobials. This will contribute to a better understanding of the spread of resistance in the environment assisted by these communities, while at the same time increasing the existing knowledge about the coexistence of the biofilms of bacteria whose eradication from undesirable sites is more complicated than single-species biofilms.

Analysis of volatile profiles for assessing the quality and safety of processed foods

Department: Department of Food Preservation, Faculty of Food and Biochemical Technology

Annotation

Gas chromatography with mass spectrometric detection in various configurations (one-dimensional, chiral, multidimensional, with olfactometry) will be used to analyse volatile profiles of various raw materials and processed foods. The aim of the thesis will be the evaluation of quality, detection of microbial contamination and identification of causes of sensory defects. The results of targeted and non-targeted analyses obtained by GC / MS will be correlated with the outputs of other laboratory methods (chromatographic, microbiological and sensory analysis). Advanced statistical methods will be used to interpret the results of analyses, considering the influence of raw materials, recipe, production and storage conditions. The project will be supported by National Agency for Agricultural Research and will be in cooperation with selected food producers.

Anammox bacteria and their unique phospholipids

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology

Annotation

Anammox (anaerobic ammonium oxidation) bacteria, which were discovered relatively recently, play an important role in the global nitrogen cycle, thanks to their unique metabolism, the conversion of ammonium cation (NH4+) and nitrite (NO2-) to nitrogen. In this way, up to 50 % of ocean nitrogen is produced in oxygen-restricted zones. Currently, these microorganisms are used in wastewater treatment as ideal substitutes for the denitrification process. The sequence of reactions of anammox metabolism takes place on the membrane of a special compartment inside these bacteria called the anammoxosome. All membranes of anammox bacteria, including the anammoxosome, are composed of unique ladderan lipids. These are phospholipids which contained 5 cyclobutanes or a combination of 3 cyclobutanes with cyclohexane at the end of the acyl chain. Thanks to these unique lipids, the membrane of the anammoxosome transmits protons up to ten times slower than the classical bilayer of phospholipids, which helps maintain the proton-motive power of these bacteria. Not much is known about the synthesis of these special phospholipids. The aim of this work will be to contribute to the detection of enzymes involved in the synthesis and degradation of these phospholipids in anammox bacteria.

Anorganic-polymer microrobots for drug delivery

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programme: Chemistry
Theses supervisor: doc. RNDr. Martin Pumera, Ph.D.

Application of data mining methods for monitoring and control of biotechnological processes

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering

Annotation

In the research of biotechnological processes, experimental data of various structure and quality are generated. However, this highly heterogeneous data contains important information about the properties of these processes. This work is focused on the study and application of selected methods in the field of artificial intelligence and machine learning in the processing of this data. The acquired knowledge will then be used for advanced monitoring and control of the selected model biotechnological process.

Application of membrane processes for modification of functional properties of whey proteins.

Department: Department of Dairy, Fat and Cosmetics, Faculty of Food and Biochemical Technology

Application of microreactors for study and optimization of reactions in field of fine chemicals and pharmaceuticals

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Petr Stavárek, Ph.D.

Annotation

Microreactors presents devices with small internal dimensions providing unique features for precise chemical processes control. These features are often employed for continuous processes control in field of fine chemicals and pharmaceuticals, where high product quality is required. Despite the high potential for improvement by synthesis in flow, the batch processes still prevail in industry. This thesis proposal therefore aims at the microreactor technology application, adaptation an optimization for continuous synthesis of fine chemicals and pharmaceutical components. The candidate should have a good knowledge of chemical and reaction engineering, organic chemistry and has good relation to experimental laboratory work to become familiar with microreactor technology, as well as with data acquisition and evaluation systems. To complete the delegated tasks, the personal abilities such as independence, creativity, open mind and team work skills will be required.

Application of microreactors for study of reactions in the field of fine chemicals and pharmaceuticals

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Dr. Ing. Petr Klusoň

Annotation

Microreactors presents devices with small internal dimensions providing unique features for precise chemical processes control. These features are often employed for continuous processes control in field of fine chemicals and pharmaceuticals, where high product quality is required. Despite the high potential for improvement by synthesis in flow, the batch processes still prevail in industry. This thesis proposal therefore aims at the microreactor technology application, adaptation an optimization for continuous synthesis of fine chemicals and pharmaceutical components. Thecandidateshould have a good knowledge of chemical and reaction engineering, organic and inorganic chemistry and has a good relation to experimental laboratory work to become familiar with microreactor technology, as well as with data acquisition and evaluation systems. To complete the delegated tasks, the personal abilities such as independence, creativity, open mind and team work skills will be required. ---------------------------------------------------------

Application of milling and co-milling processes to formulation of poorly soluble drugs

Department: Department of Organic Technology, Faculty of Chemical Technology

Annotation

Poorly soluble drugs (BCS II and IV classes) represent an important segment of marketed drugs. Improving solubility or at least the drug release kinetics is therefore a continuing challenge, which is approached by many ways on several levels. The milling, nano-milling, and/or co-milling processes of a drug with optional other excipients provide a way how to change the phase composition of the drug, increase the specific surface of drug particles, modify that surface, and also form composite particles. This study should be aimed at the options and possibilities of improving the drug release by all the above mechanisms, especially those related to particle technology. The study should involve both the preparation of particles and their formulation into suitable dosage forms and seek optimized approaches bringing the best performance while complying with the requirements of industrial manufacturability of the formulation.

Application of molecular modelling in the screening and characterization of new solid forms of drug substances

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Experimental screening of new solid forms of drug substances, i.e. polymorphs, salts, co-crystals or solvates, is very labor process requiring of testing various conditions. Once the new solid form is discovered it is analyzed by a combination of several techniques including XRD, NMR, Raman spectroscopy, SEM, DSC, solubility and stability. In this project we plan to utilize molecular simulations to support experimental screening procedure. This will increase our fundamental understanding of involved interactions between drug and excipient molecules. In particular, we plan to use molecular modelling in the calculation of the interaction energies of prepared drug solid form to rank relative thermodynamic stability and melting temperature. When possible, molecular dynamics simulation will be benchmarked to experimentally measured properties of drug solid forms, i.e. XRD data, or to interactions determined by NMR or FTIR. In the last part, we plan to apply molecular modelling in the description of solubility of newly discovered solid forms in the presence of various excipients (i.e. surfactants, polymers, partner molecules) in water media.

Application of non-thermal plasma in agriculture

Department: Department of Physics and Measurement, Faculty of Chemical Engineering

Annotation

The application of non-thermal plasma in agriculture, especially for the treatment of seeds and young plants, is a new and developing area of scientific research. Plasma has beneficial effects on plant germination, their initial growth as well as the overall yield of production. The work is focused mainly on corona discharges and their perspective for breaking the dormancy of seeds of selected plants and the study of influencing their germination and growth. There is a place also for the study of the effect of the bactericidal agent of plasma on various types of bacteria, their spores, yeasts, fungi and other microorganisms found on the surface of seeds or other plant products.

Application of non-traditional microorganisms for the production of fermented beverages

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie

Annotation

The brewing industry and the entire fermented beverage industry have recently experienced rapid development in the area of new trends in the use of non-traditional microorganisms. The aim of the work will be to identify and test various microorganisms for use in the production of beer, ciders, and other fermented beverages and determine their characteristics.

Application of spatial analysis methods for forensic sciences

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering

Annotation

Most of the data processed within the forensic sciences also includes a spatial component indicating the position of the described objects (eg GPS data). An important part of computer processing of this type of data thus includes the application of advanced methods of spatial analysis to determine selected contexts contained in the data. This work is specifically focused on advanced data processing and analysis describing the findings of various types of projectiles in the investigated terrain.

Applications of the non-thermal plasma microbicidal effects

Department: Department of Physics and Measurement, Faculty of Chemical Engineering

Annotation

Non-thermal plasma seems to be a possible alternative to the common disinfection and sterilization methods. Scope of this work are the corona discharges and their possible practical applications for the decontamination of surfaces and liquids and as a therapeutic method in medicine. Moreover, this work covers also the investigation of microbicidal effects of corona discharges to the bacteria, bacterial spores, yeast, fungi and other microorganisms.

Approaches to the Total Synthesis of Fumiquinazoline-Based Pyrazinoquinazoline Alkaloids and Analogs

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Dr. habil. Ullrich Jahn

Annotation

In this project, short and bioinspired synthetic approaches to complex fumiquinazoline-based pyrazinoquinazoline alkaloids will be developed. The total syntheses will be modular and aimed at investigating their biological profiles in collaboration. Small focussed libraries of analogs are envisaged to complement the total syntheses of the natural products.

Approaches to the Total Synthesis of Fumiquinazoline-Based Pyrazinoquinazoline Alkaloids and Analogs

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: Dr. habil. Ullrich Jahn

Annotation

In this project, short and bioinspired synthetic approaches to complex fumiquinazoline-based pyrazinoquinazoline alkaloids will be developed. The total syntheses will be modular and aimed at investigating their biological profiles in collaboration. Small focussed libraries of analogs are envisaged to complement the total syntheses of the natural products.

Approaches to the Total Synthesis of Glyantrypine-Based Pyrazinoquinazoline Alkaloids and Analogs

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Dr. habil. Ullrich Jahn

Annotation

In this project, short and bioinspired synthetic approaches to complex glyantrypine-based pyrazinoquinazoline alkaloids will be developed. The total syntheses will be modular and aimed at investigating their unknown biological profiles in collaboration. Small focussed libraries of analogs are envisaged to complement the total syntheses of the natural products.

Approaches to the Total Synthesis of Glyantrypine-Based Pyrazinoquinazoline Alkaloids and Analogs

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: Dr. habil. Ullrich Jahn

Annotation

In this project, short and bioinspired synthetic approaches to complex glyantrypine-based pyrazinoquinazoline alkaloids will be developed. The total syntheses will be modular and aimed at investigating their unknown biological profiles in collaboration. Small focussed libraries of analogs are envisaged to complement the total syntheses of the natural products.

Assessing of minor plant raw materials quality

Department: Department of Food Preservation, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Aleš Rajchl, Ph.D.

Annotation

Minor plant raw materials are often neglected, due to low production volume, and sufficient attention is not paid to their quality. The aim of this work is to assess the quality of selected minor raw materials of plant origin. The work will be also focused on development of new analytical methods for evaluating the quality of studied materials.

Automated study of photochemical mechanisms

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

Annotation

The thesis will focus on mechanisms of organic reactions in both the ground and excited states. Ab initio techniques and methods of ab initio molecular dynamics will be used. It is anticipated that new computational techniques will be developed, in attempt to automatize the search for key aspects of reaction mechanisms.

BODIPY-Based Systems for Release of Signalling Molecules and Modulation of Biomolecular Activity

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Mgr. Tomáš Slanina, Ph.D.

Annotation

The main objectives of the PhD project are the design, synthesis, spectroscopic characterization, development, and screening of various applications of the novel class of BODIPY-based photoremovable groups[1] and photoactivatable systems.[2] The main emphasis will be given to systems absorbing red light that can be activated in tissue transparent window[3]. Non-classical leaving groups, such as thiosufonates, xanthates, hydroxylamines, (thio)semicarbazones etc. will be combined with the BODIPY scaffold to produce systems releasing signaling molecules. The molecules will be also modified to produce biocompatible linkers that will be used for light-controlled modulation of biomolecular activity in optogenetic approach. The candidate will perform synthesis and characterization of organic photoactivatable molecules and will study their chemical, photophysical and photochemical properties. He/she will become a part of a dynamic junior research team investigating small organic molecules undergoing redox processes, photoactivatable compounds, and reversible chemical reactions. Highly motivated and skillful candidate will have the opportunity to extend his/her graduate training in physical and organic chemistry by learning electrochemical, photochemical and advanced spectroscopic methods.

Benchmarking classical and quantum-mechanical molecular simulations for predictions of phase equilibria

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Theses supervisor: Ing. Ctirad Červinka, Ph. D.

Benchmarking the ab initio methods for polymorph stability ranking for molecular crystals

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Theses supervisor: Ing. Ctirad Červinka, Ph. D.

Bioaccesibility of antimony in urban traffic-loaded areas

Department: Department of Solid State Chemistry, Faculty of Chemical Technology

Annotation

Antimony (Sb) has not been well known and widely cited toxic elements yet, but it can posed a serious environmental risk in future. Sb compounds are used in industrial sphere as fire-resistant agents, hence the increased Sb concentration represents a challenge for geochemical and material research. The aim of this work is to study the stability of Sb compounds incoming to the environment and their subsequent behaviour in the soil-groundwater-surface water system. Geochemical properties of antimony and arsenic will be compared in term of their environmental stability and bioaccesibility. Next part of the work will be focused on the monitoring of selected heavily contaminated locality.

Bioactive coatings promoting spontaneous endothelialization of vascular vessel grafts

Department: Department of Polymers, Faculty of Chemical Technology
Theses supervisor: Ing. Tomáš Riedel, Ph.D.

Annotation

The surface of biomaterials that are in long-term contact with blood (e.g., vascular prostheses, stents) triggers inflammatory processes of the organism leading to activation of the coagulation cascade and formation of thrombi, and to a subsequent graft failure. The aim of this work is the development of coatings that would suppress activation of the coagulation cascade and immune response of the organism, while actively encouraging the formation of endothelium on the surface of vascular prostheses after their implantation. One approach will be based on coating the internal surface of a synthetic and decellularized vessel with a fibrin network that will be modified by bioactive molecules such as heparin, growth factors, oligosaccharides, and other bioreceptors specifically promoting the adhesion of progenitor endothelial cells. An alternative approach will be based on suppressing the unwanted body reactions by means of so-called polymer brushes and their subsequent functionalization by the above-mentioned biomolecules. We assume that, after implantation, heparin will suppresses the coagulation cascade, while the other bioactive molecules will promote endothelization of the graft by capturing progenitor endothelial cells from blood.

Biocatalysts for a new route of nitrile synthesis

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Ludmila Martínková, DSc.

Annotation

Nitriles (R-CN) are currently used for the synthesis of fine and pharmaceutical chemicals. The benefits of enzymatic synthesis in general are mild conditions and selectivity. Aldoxime dehydratase, an enzyme enabling the synthesis of nitriles, occurs in bacteria and fungi. However, the enzyme is difficult to obtain directly from these organisms due to its low production. Therefore, the strategy will be to retrieve the genes from databases, have them commercially synthesized and express them in a heterologous producer, primarily Escherichia coli. This is expected to allow production of sufficient amounts of the enzymes for catalysis. The thesis will be a part of a Czech-Austrian project aiming to elaborate a new cascade synthesis of nitriles. Aldoxime dehydratase catalyzes the last step of the cascade consisting of 1) enzymatic preparation of aldehyde from carboxylic acid, 2) conversion of aldehyde into aldoxime (R-CH=NOH) and 3) dehydration of aldoxime into nitrile. The thesis is multidisciplinary, using methods of molecular biology, bioinformatics, biochemistry, biotechnology and organic chemistry.

Biodegradable bone cements

Department: Department of Polymers, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: Ing. Lenka Malinová, Ph.D.

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The work will be focused on the preparation of biodegradable polymeric bone cements, which could be used as temporary fillings for bone defects, which would be gradually replaced by bone tissue. Part of the work will be deal with the synthesis and modification of bone cements based on poly(propylene fumarate), which can be crosslinked in situ through its fumarate double bonds. The crosslinkability of the prepared materials, their mechanical properties, degradation rate and biocompatibility will be tested. The next part of the work will be focused on the possibility of filling bone cements with antibiotics or supportive fillers for bone growth and their effect on mechanical properties and degradation.

Biodegradable polymer systems for medical applications

Department: Department of Polymers, Faculty of Chemical Technology
Theses supervisor: RNDr. Miroslav Šlouf, Ph.D.

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Biodegradable and biocompatible polymer systems show numerous applications in both human and veterinary medicine. We have recently developed and patented multiphase polymer systems based on thermoplasticized starch (TPS), polycaprolactone (PCL), titanium dioxide based nanoparticles (TiX) and antibiotics (ATB). Morphology and properties of these systems can be adjusted by their composition and targeted phase structure modification during the processing. TPS/PCL/ATB systems can be employed in treatment of strong local infections such as osteomyelitis. The project comprises preparation of the above systems (by melt mixing), optimization of their phase structure (targeted modification of processing conditions), characterization of their morphology (electron microscopy), properties (macro- and micromechanical properties), and participation in medical tests in collaboration with local hospital (FN Motol; treatment of local infects, biodegradability).

Biological machine learning

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programmes: Bioinformatika, Bioinformatics
Theses supervisor: Ing. Tomáš Pluskal, Ph.D.

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Our lab combines cutting-edge experimental (e.g., LC-MS, metabolomics, RNA-seq) and computational (e.g., bioinformatics, molecular networking, machine learning) approaches to develop rapid, generally applicable workflows for the discovery and utilization of bioactive molecules derived from plants. We are looking for talented and motivated computational researchers to join our team. The successful candidate for this position will be developing models for the prediction of enzymatic activities of enzymes in biosynthetic pathways. Owing to the interdisciplinary nature of the lab, this project will be conducted in close collaboration with experimental researchers who will be generating data for model training and verification.

Biologically active compounds in Cannabis sativa and other natural resources

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology

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The doctoral thesis will focus on the effective isolation, purification, and analytical characterization of biologically active secondary metabolites, including minor ones, contained in Cannabis sativa plants and other plant sources using modern instrumental technologies. Within the interdisciplinary cooperation, biological activity will also be evaluated. The acquired knowledge will be reflected in the design of new products such as cosmetics or food supplements.

Biologically active compounds of plants and their changes during processing and storage

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Dr. Ing. Věra Schulzová

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Plant biologically active compounds can have positive as well as negative effects on the human body. Levels of plant secondary metabolites depend on the type of plant or the growing conditions, but are also affected by processing and storage conditions Modern analytical methods, based mainly on the technique of ultra-performance liquid chromatography coupled with high resolution mass spectrometry detection, are applied for monitoring these compound levels and the assessment of individual compounds stability. For the assessment of the authenticity of vegetable raw materials, metabolomic fingerprinting / profiling technique with application of sophisticated statistical methods for the evaluation of obtained data is applied.

Biologically active substances in hops; their effects and uses

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie

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In the Czech Republic, some hops varieties have been bred for non-brewing purposes, mainly pharmaceutical. These varieties have high contents of prenylflavonoids (xanthohumol and desmethylxanthohumol). Desmethylxanthohumol is a precursor of 8-prenylnaringenin, which is the strongest known phytoestrogen. Demethylation of isoxanthohumol can also yield extracts with high levels of 8-prenylnaringenin. The goal of this work will be to determine the concentration of these substances in hops, test their biological effects, and develop methods for preparing extracts with enhanced levels of these substances for use as food supplements.

Biologically active wound dressings based on natural and modified polysaccharides

Department: Department of Carbohydrates and Cereals, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Mgr. Andrej Sinica, Ph.D.

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This dissertation is focused on the preparation of bioactive wound dressings based on de novo isolated and/or chemically modified polysaccharides. These polysaccharide materials will be enriched with selected biologically active compounds. The wound dressings experiments will be planned in order to obtain the most comprehensive information of their physicochemical, thermal and mechanical properties and biological activities, which will be tested in collaboration with will be tested in cooperation with the Department of Biochemistry and Microbiology at University of Chemistry and Technology Prague.

Bioreactors Design Parameters - Experimental study of transport characteristics in various apparatuses

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Tomáš Moucha

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The efficiency of new biotechnology and pharmaceutical products manufacture also depends on a suitable bioreactor selection. In the design of an optimal bioreactor, they key parameters are the maximum yield of a primary product and, simultaneously, the lifetime of the used microorganisms. The aim of the doctoral study is to compare the design parameters (transport characteristics such as volumetric mass transfer coefficient, gas hold-up and energy dissipation intensity) of three types of the most commonly used bioreactors. The results will be used to characterize the differences and similarities of specific types of bioreactors in terms of gas distribution, mass transfer and mixing depending on the total energy supplied to the system. Transport characteristics will be obtained experimentally for model batches, which will be designed based on physical properties of real broths. The work is intended as the cooperation of UCT Prague (supervisor's workplace) with ICPF Prague (consultant's workplace) and appropriatley complements the second PhD topic offered by the consultant. Both cooperating workplaces are equipped by necessary facilities i) mechanically stirred reactor, ii) bubble column and iii) air-lift reactor. All bioreactors are adapted to measure transport characteristics by the same methods, therefore the results will be comparable. Requirements for an applicant: master degree in chemical or mechanical engineering, organic technology, biotechnology etc.; ability for teamwork; systematic and creative approach to scientific problems; interest in experimental work

Biosensors methods for environmental monitoring and food safety

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

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Nowadays, industrial activity produces vast amounts of harmful chemicals that can pollute the environment and contaminate food, posing a serious challenge to public health. The development of analytical methods for rapid and sensitive detection and quantification of harmful chemicals is an important and timely research topic. The dissertation will focus on the development of biosensors for rapid and sensitive detection of selected low molecular weight analytes, which present risk to water and food quality. Mainly, the work will focus on optical biosensors based on surface plasmon resonance (SPR) and potentially also on their combination with electrochemical methods for more complex sample analysis. In particular, the work will include the development of functional layers for affinity capture of selected analytes and the development of detection assays and methodologies enabling rapid and sensitive detection of analytes in complex matrices. The developed biosensing approaches will be evaluated in model experiments and the results will be compared with those obtained using conventional analytical methods.

Black metals as active layers of chemiresistors

Department: Department of Physics and Measurement, Faculty of Chemical Engineering
Theses supervisor: prof. Ing. Dr. Martin Vrňata

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Metals of highly porous surface are called black metals (BM). Their chemical (oxidizability), mechanical (low density), electrical (higher resistivity) and optical (low reflectivity) properties originate from a unique combination of nanostructural and microstructural features of metalic materials. Regarding the applicability of BMs in chemiresistors, following properties are beneficial: (i) there is a large portion of surface atoms, which promotes interaction of BMs with gaseous species; (ii) the surface of BMs exhibits catalytic activity - it enables decomposition of larger analyte molecules into easily detectable reactive fragments; (iii) the surface of BMs is easily oxidizable to form core-shell metal-metal oxide structures with Schottky junction; (iv) the active layers based on BMs provide possibility to measure the response with high-frequency ac-signal leading to the so-called skin-effect, which is an effective tool to investigate only "surface" detection and compare the results with "volume" detection obtained with dc-signal.

CFD modelling and experimental characterization of spray drying proces

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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Low solubility of drugs represent significant drawback in development of new drug products. Possibility to improve this limitation is formulation of drug molecules in amorphous forms, e.g. using hot-melt extrusion, precipitation process or spray drying process. This project will focus on the preparation of amorphous solid forms of drugs using spray drying process. PhD student will be responsible for process modelling using Computational Fluid Dynamic (CFD) and experimental characterization of the process parameters. Developed model will be based on Euler-Lagrangian approach, where gas will be modeled as continuous phase while formed droplets will be tracked as individual entities. Atomization of liquid stream and formation of droplets will be described by combination of VOF-to-DPM approach allowing to model initial formation of droplets followed by their transformation into solid particles. Modelling effort will be combined with the experimental work, where we plan to characterize atomization conditions as well as properties of formed particles using on-line sersors for measurement of their size and shape. Impact of process parameters, such as gas and liquid flow rates, viscosity of liquid phase, and temperature and relative humidity during spray drying will be considered. In the last stage of the project, gained knowledge will be used to scale up of the process from laboratory scale to pilot scale size.

CFD simulation of air flow and cross-contamination in production space

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Ondřej Kašpar, Ph.D.

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One of the severe concerns in the modern pharmaceutical industry is the risk of cross-contamination. Cross-contamination refers to a state where foreign substances get into the manufactured product at a certain production process stage. The most dangerous foreign substances are pharmaceutical compounds present in the production premises during the parallel production of another product. This can be prevented by a suitable space layout with good air exchange. CFD computational tools based on the finite element method (FEM) allow the solution of complex physical problems such as the airflow in enclosed spaces and the study of particle deposition dynamics. The work's subject is the use of CFD to calculate velocity fields and study the deposition of model particles representing dust generated during common operations of the pharmaceutical industry, such as tableting or granulation.

CFD simulation of fire suppression In enclosed spaces

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: doc. Dr. Ing. Milan Jahoda

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Stable fire extinguishers are standard fire protection. In the regular arrangement of the fire section, the location of the nozzles is given normatively. In the case of a nonstandard geometry arrangement or when protecting equipment with highly flammable substances, it is necessary to solve the design of the nozzles' position and function using advanced fire engineering analysis methods. These methods include computational fluid dynamics, CFD. The dissertation is focused on CFD modelling the effect of stable mist equipment on fire suppression in closed objects. The work aims to find the model's critical parameters and their values for calculating the nozzles' location for optimal fire protection.

CO2 capture. Industrial process optimization.

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Tomáš Moucha

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CO2 capture belongs to frequent industrial needs, both in the cases of low concentration CO2 removal from waste gases and in the cases of main process streams, e.g., in hydrogen production, when high amount/concentration is to be removed. Just the last example represents the process, which the PhD thesis will be focused to. In the premises of Unipetrol company, the CO2 capture unit is presumed to be permanently optimized. In accordance with the needs of the industrial partner, the experimental research goals will involve i) durability / degradability of the solution currently used in the process, ii)absorption efficiencies and selectivities (H2S/CO2) of new absorbents and iii)the influence of low concentration admixtures, e.g., Fe, Ni and V metals, on the CO2 capture efficiency. The PhD student will acquire valuable experience of industrial area life because he/she will be able independently act in the Unipetrol premises, will cooperate with industrial research department UniCRE and will find here both well-equipped laboratories and experienced consultants.

Cahn-Hilliard Models for Evolution of Material Morphology

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Juraj Kosek

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The development of new materials for applications in catalysis, construction, cars and local energy storage is the actual area of research. This development is mostly empirical. The objective of this project is the classification of knowledge about the evolution of material structure, the formulation of relevant physico-chemical models and their solution with the goal of obtaining general knowledge. Cahn-Hilliard models constitute one of the general approaches for the simulation of morphology evolution and they are applicable especially for the spinodal decomposition. For practical and more general applicability of these models we have to develop thoroughly validated models extended about: (i) coupling with CFD simulations and behavior of liquid phase(s), (ii) advanced thermodynamics, (iii) considering the molecular architecture of polymers, (iv) models of transport coefficients dependent on local concentration, temperature and viscosity, (v) advanced description of phase interfaces, (vi) generalized Maxwell-Stefan transport, and (vii) generalization for self-consistent description of problems involving nucleation. Advanced Cahn-Hilliard models will be applied for: (i) morphology optimization of nano-/micro-cellular polymers with the goal of improved application properties, (ii) nucleation and coalescence of bubbles in early stages of foam evolution, (iii) evolution of particle morphology in emulsion copolymerizations, and (iv) evolution of salami morphology of high-impact polystyrene during its continuous manufacturing. Prospective PhD student will not only improve his/her skills in modeling and visualization of spatially 3D problems, but will also penetrate deeply into physico-chemical nature of studied problems. PhD students will continue the development of modeling tools available in the research group. This project shall be sponsored by EU project H2020, grants and by industrial collaborations. PhD student shall spent part of the study at a foreign institution. Info: phone 220 44 3296, office B-145, e-mailjkk@vscht.cz, webhttp://kosekgroup.cz

Calixarene analogues containing pyridine rings

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: prof. Ing. Pavel Lhoták, CSc.

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Design and synthesis of novel macrocyclic systems based on calixarene analogues, containing pyridine moieties within the skeleton. The study of their chemical behaviour, basic chemical transformations, and conformational preferences. The application of these novel macrocyclic systems in the design of novel receptors for the recognition of anions and/or neutral molecules (e.g. fullerenes).

Capsid lattice formation of RNA viruses

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie
Theses supervisor: doc. Dr. Ing. Michaela Rumlová

Carbohydrate-based ligands for lectin targeting

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: Ing. Petra Ménová, Ph.D.

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Mammalian carbohydrate receptors (lectins) are involved in a number of vital processes, including pathogen recognition, uptake and processing, cell communication and cell migration. Targeted delivery of therapeutic nucleic acids to hepatocytes is an attractive strategy for the treatment of hepatitis B and prevention of hepatocellular carcinoma. The almost exclusive presence of the lectin asialoglycoprotein receptor (ASGPR) makes it an ideal gateway for hepatocyte-targeted therapy. DC-SIGN is a lectin receptor found on the surface of immune cells, mainly dendritic cells and macrophages. It recognizes pathogens through the interaction with mannose-rich carbohydrates present in their glycocalyx. This interaction triggers the immune response, but is sometimes taken advantage of by certain pathogens to facilitate their spread in the host organism. Blocking this interaction has a high potential in the prevention of a number of diseases, including HIV or hepatitis C. The aim of this thesis is to synthetize carbohydrate-based ligands specific for ASGPR and DC-SIGN. The ASGPR ligands will be attached to lipid nanoparticles and used for the delivery of CRISPR/Cas9 system into hepatocytes. The DC-SIGN ligands will be used to study ligand-protein interactions in order to get better understanding of these complex processes.

Carbon dioxide removal from flue gases produced by the combustion of fosil fuels and biomass in large energetic boilers

Department: Department of Gaseous and Solid Fuels and Air protection, Faculty of Environmental Technology
Study programme: Energie a paliva
Theses supervisor: doc. Ing. Karel Ciahotný, CSc.

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The work is focused on the development of a suitable technological process for removing carbon dioxide from flue gases produced by the combustion of fossil fuels and biomass in large energy boilers. The technology should be used for flue gas cleaning at temperatures from 50 to 90 ° C. The development of suitable functionalized adsorbents with an liquid phase based on organic amines and imines is expected, which will ensure the chemical bonding of carbon dioxide on the surface of the adsorbent and thus its sufficient adsorption capacity for CO2. Regeneration of the saturated sorbent is assumed by heating it to temperatures of 120 - 180 ° C with steam. It is necessary to find suitable carrier (activated carbon, inorganic sorbents) and such a reagent, which will show good interconnection, so that there is no loss of organic reagent in the regeneration process. At the same time, the organic reagent must ensure a high affinity for CO2. Another goal of the work is to find a suitable way of anchoring the organic agent on the inner surface of the sorbent.

Catalysts for alkaline energy conversion devices

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: Ing. Jaromír Hnát, Ph.D.

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Alkaline energy conversion technologies represent one of the promising ways to increase the utilization of the installed renewable sources of energy. The advantage of the alkaline technologies lies in the possibility to avoid the necessity of the utilization of the Pt-group metals as catalysts for electrode reactions. On the other hand, the intensity of these technologies is generally lower when compare to alternatives. This work focuses on the synthesis and optimization of the new catalysts, their testing using standard procedures and under the real conditions of the energy conversion devices.

Catalytic synthesis of biodegradable polymers based on carbon oxides

Department: Department of Polymers, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: doc. Ing. Jan Merna, Ph.D.

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The aim of the work is to synthesize catalytic systems for carbon monoxide conversion to biodegradable polymeric materials. In the first phase, the main attention will be focused on reaction of carbon oxides with epoxides leading to polyesters. Stereoregularity of the obtained polymers will be evaluated and their properties will be compared with highly stereoregular natural polymers. The work has interdisciplinary character with focus on organometallic and polymer synthesis followed by study of biological degradation of prepared materials.

Catalytic transformation of methane to higher value products

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Dr. Ing. Vlastimil Fíla

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The high attention on the processes of transformation of methane (C2, C3 hydrocarbons eventually) from natural gas or biogas to higher value products is paid at present time. The processes such as non-oxidative catalytic methane aromatization, selective oxidation to methanol or dimethyl ether are used. The suitable catalyst for chosen process will be developed. The effect of the reaction conditions, catalyst carrier and formation of active phase on catalyst on the methane conversion, catalyst stability and yield of products will be studied.

Cathepsin proteases in biomedicine

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: RNDr. Michael Mareš, CSc.

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The project is focused on proteolytic enzymes of the cathepsin type that are critically involved in pathologies and are therapeutic targets. Cathepsins of human origin and those from pathogens and parasites will be investigated. The aim of the project is to analyze the structure and function of cathepsins and develop novel inhibitory molecules for their regulation. The research in the field of biochemistry and molecular biology employs the following main approaches: functional proteomics and chemical genomics, recombinant protein expression, enzymology, protein crystallography, and molecular modeling

Cellular heterogeneity of the tumour microenvironment

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programme: Bioinformatika
Theses supervisor: Mgr. Michal Kolář, Ph.D.

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The tumour microenvironment significantly influences the behaviour of tumours from their origin, through proliferation, to the development of metastases. The dissertation will deal with the heterogeneity of cell types present in the tumour microenvironment and the heterogeneity of cells of individual types, such as cancer-associated fibroblasts, using functional genomic tools at the whole genome level and at the level of individual cells. The results of the analyzes will be statistically processed and interpreted in the context of cellular signaling pathways in order to find new tumour markers or therapeutic targets.

Cellulose acetate base motion picture films

Department: Department of Chemical Technology of Monument Conservation, Faculty of Chemical Technology
Theses supervisor: Ing. Vítězslav Knotek, Ph.D.

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Cinematographic films based on a cellulose triacetate base form a considerable part of collections in film archives. Films made in the period from the 1950s to the 1980s include a soundtrack in the form of a magnetic strip. The cellulose triacetate base is prone to degradation manifesting shrinkage, twist, and embrittlement. These dimensional changes can lead to errors in playing a magnetic soundtrack and difficult digitization. This work will focus on the study of cellulose triacetate film degradation processes and their influence on the magnetic soundtrack. One of the goals will be to develop methods for temporarily suppressing the symptoms of the degradation of the base and to determine the effect on the soundtrack. Furthermore, the possible catalytic effect of the magnetic soundtrack on the degradation of the base will be investigated.

Ceramic composite filters for water treatment

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programme: Chemie

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The dissertation thesis will be focused on the development of advanced composite filters for the removal of pesticides, heavy metals and nanoplastics from contaminated groundwaters. The prepared composite filters will be coated using nanomaterials based on graphene oxide, cerium (IV) oxide, and titanium (IV) oxide.

Ceramics with controlled properties in CaO-Al2O3-SiO2 system

Department: Department of Glass and Ceramics, Faculty of Chemical Technology

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Ceramic materials in the CaO-Al2O3-SiO2 system are used for many applications. Materials with controlled delay in the area of small length changes during firing are possible to prepare by suitable composition of raw materials and their subsequent heat treatment. The work will be focused on the prediction of mixtures behavior in the field of the area of small length changes and characterization of final products.

Characterization and modelling of dispersion systems with variable viscosity

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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The goal of this project is to characterize and model systems where viscosity of the dispersed phase is rising during the process. Typical examples are emulsification, suspension polymerization or spherical agglomeration. The student will start with simplified system composed of two liquid phases with various viscosities, which will be analyzed by on-line sensors providing information about the droplets sizes. Experimental activity will cover both batch as well as continuous operation modes. Collected data will be consequently used to develop engineering model based on computational fluid dynamic of the fluid flow coupled with population balances to describe coalescence and breakup of dispersed phase for various levels of dispersed phase viscosity. An extension of this activity will be process of spherical agglomeration where dispersed phase will contain particles (nanoparticles or crystals), which can undergo agglomeration and thus increasing the viscosity of the dispersed phase. Developed model will be validated against experimental data collected at various scales or operating conditions.

Characterization and use of newly developed biodegradable and recyclable polymeric materials in biotechnology and other fields

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie

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The research is carried out in cooperation with Institute of Macromolecular Chemistry of the AS CR, v.v.i., Prague, that designs advanced polyurethane materials with adjustable biodegradation rate. Polyurethanes are synthesized as polyester-ether polyols with different ether/ester segment ratios to achieve specific polymer structure density and suitable surface properties (hydrophobicity, charge) to improve microorganism adhesion and hydrolytic degradability. Research includes evaluation of individual polymeric materials in the context of intended use (e.g. as biofilm carrier in packed reactors, biodegradable fillers for product packaging, filaments for 3D printing) and analytical evaluation of four basic processes of biological action on polyurethane material: structural disruption (FTIR and Raman spectroscopy SEM), fragmentation (MALDI-TOF, HPLC-UV/RI, HPLC-MS and GC-MS), assimilation (Oxitop) and surface colonization (zeta potential, contact angle and image analysis). In case of interest, it is also possible to participate in the research of polymer synthesis at the Institute of Macromolecular Chemistry, thus, to set dissertation thesis as multidisciplinary.

Characterization of early postnatal development using a biobank of tissues of human newborns

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: MUDr. Jan Kopecký, DrSc.

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Early postnatal period is critical with respect to development of the key physiological functions and homeostatic mechanism of the newborn, as well as for imprinting the metabolic features that could be manifested during the adolescence and adulthood. A unique biobank of the autopsy samples of various is available that had been collected from human newborns, mostly very premature newbors. Characterization of the transcriptome of the tissues using RNA sequencing analysis is ongoing.
The project will focus on tah data analysis in order to reveal various aspects of early human development and its control, also with regards to various pathologies. Model experiments on mice will reperesent the main experimental part of the project. It will proceed in close collaboration between the Department of Adipose Tissue Biology and the Department of Metabolomics of the Institute of Physiology of the Czech Academy of Sciences (http://www.fgu.cas.cz/en/departments/adipose-tissue-biology), and the Institute for Inherited Metabolic Disorders, First Faculty of Medicine, Charles University (http://udmp.If1.cuni.cz/en/genomics-and-bioinformatics-laboratory) in Prague. This multidisciplinary environment will be key for the appropriate tarining of the student and successful work on the projekt. The basic PhD scholarship will be supported by the employement at the Department.

Characterization of natural raw materials and products by vibrational spectroscopic methods

Department: Department of Carbohydrates and Cereals, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Mgr. Andrej Sinica, Ph.D.

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Vibration spectroscopic methods in combination with multivariate analysis will be used to characterize sets of model samples of raw materials of various origins, foodstuff, their chemical components (polysaccharides) or other products. The aim of the work will be to develop a procedure for sorting and evaluating the composition and quality of food raw materials and products using these methods including preparative approaches and sample preparations. The conclusions of vibrational spectroscopy will be substantiated and compared with the results obtained by common analytical methods.

Characterization of sulphur compounds in petroleum middle distillates

Department: Department of Petroleum Technology and Alternative Fuels, Faculty of Environmental Technology
Study programme: Energie a paliva

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The thesis will deal with detailed characterization of sulphur compounds present in petroleum middle distillates using one-dimensional gas chromatography with selective detectors (flame photometric, pulsed flame photometric and sulphur chemiluminescence detectors) and using multidimensional comprehensive gas chromatography with mass spectrometry and sulphur chemiluminescence detectors. The aim of the work will be development and optimization of suitable analytical method and identification and determination of sulphur compounds present in petroleum middle distillates. Based on the experience gained, the possibilities of reducing the content of sulphur compounds in diesel fuel will be assessed by adjusting the conditions of hydrotreating and by adjusting of distillation cuts of individual diesel fuel components.

Chemical and biochemical transformation of sucrose for production of other sugars and sugar alcohols

Department: Department of Carbohydrates and Cereals, Faculty of Food and Biochemical Technology

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Sucrose is a very good raw material for chemical and biochemical reactions. The sugar industry produces it in large quantities in a crystalline form of high purity, its production is stable and traditional, long-term storage and thus becomes a relatively cheap and well-defined reactant or substrate for further transformations. The work will be focused on the search for catalysed chemical, enzymatic or biological transformations of sucrose to common (glucose, fructose) or rare saccharides (psicose, tagatose, allosa, altrose, etc.) and sugar alcohols (mannitol, xylitol, erythritol, etc.). Various inorganic catalysts, enzyme groups, and microorganism strains will be used for the transformation to achieve high yield and concentration in the reaction mixture. The product will be isolated by membrane and chromatographic techniques and by crystallization.

Chemical and biochemical transformations of phosphorus in wastewater treatment

Department: Department of Water Technology and Environmental Engineering, Faculty of Environmental Technology
Theses supervisor: prof. Ing. Jiří Wanner, DrSc.

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The study will deal with chemical processes and emerging products in the precipitation of phosphates from wastewater in activated sludge. In the case of the use of precipitants based on iron III salts the influence of biological processes on the precipitation mechanism and the oxidation state of iron in precipitation products will be also studied. At the same time, the influence of low residual concentrations of phosphate phosphorus on the properties of activated sludge will be monitored both in terms of removal of selected components of pollution (eg nitrification) and microbial composition in terms of separation properties of activated sludge, formation of extracellular polymers or influence of formed precipitates on sedimentation ability. The next part of the work will focus on the possibilities of influencing the properties of activated sludge in case of increased biological phosphorus removal, competition of other components of biocenosis with poly-P bacteria and their influence on possible formation of biological foams or other separation problems.

Chemical composition of human scents and its correlation with the blood groups of individuals.

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Chemiresistors based on nanostructured oxides: detection of gaseous analytes with various characteristic groups

Department: Department of Physics and Measurement, Faculty of Chemical Engineering
Theses supervisor: prof. Ing. Dr. Martin Vrňata

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Although the first functional chemiresistors with oxidic sensitive layers were constructed in 1960's and since 1990's they are commercially produced in large series, their research and development is far from being completed. While the chemical composition of the sensitive layers has been more or less optimized, the boom of nanotechnologies in recent years brings new challenges how to improve chemiresistors by tuning morphology of their sensitive layers. The highest impact has the fact that the geometric dimensions of the oxidic nanostructures are comparable with Debye length of given material. Such circumstance enables us to approach the concept of "molecular switch", when just one molecule of the analyte switches on/off the conducting channel in the sensitive layer. This thesis will be focused on synthesis of oxidic nanostructures (preferably by hydrothermal methods) and on measurement of their response to certain "model analytes" (oxidizing gas, reducing gas, Lewis acid or base, variable molecular dipole-moment). The analytes will be selected according to such criteria, so that the obtained results can be generalized.

Chemistry of inorganic analogues of graphene - nanostructures based on pnictogens

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

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The thesis is focused on the covalent and non-covalent interactions of layered pnictogens in order to improve their long-term stability. Mono- and multi-layer materials will be prepared by optimized mechanical exfoliation processes. For non-covalent interactions, substituted delocalized organic systems will be tested and their effect on material transport properties will be studied. The covalent functionalization will be performed using radical reactions. Finally, preparation of functional microelectronic devices based on FET transistors and photodetectors will be studied and optimized.

Chiral Triptycene- or [2.2]Paracyclophane-Based Fluorination Reagents

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry

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Iptycenes and cyclophanes have found applications as molecular machines, in polymer chemistry, materials chemistry or catalysis. Triptycene is characterized by an unusual D3h symmetry and its derivatives can be chiral. Similarly, [2.2]paracyclophane derivatives are intriguing due to their planar chirality. This work aims at incorporating chiral triptycenes or [2.2]paracyclophanes into fluorination reagents (imidazole derivatives or hypervalent silicon compounds). The prepared compounds will be used to study chemo-, regio- and stereoselectivity in nucleophilic fluorinations.

Chirooptical spectroscopy in microwave region: Development and performance of the experiment

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Chiroptical studies of natural compounds and their derivatives

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Annotation

Methods of chiroptical (circular dichroism and Raman optical activity) and vibrational (infrared absorption and Raman scattering) spectroscopy will be applied for conformational analysis and investigation of physicochemical properties of natural compounds, e.g. alkaloids, saccharides, steroids, growth hormone fragments etc., and their derivatives. For instance, new substances with a promising potential for medical and biochemical applications will be synthesized in cooperation with the Institute of Chemical Process Fundamentals of the Czech Academy of Sciences. Experimental spectra will be interpreted by means of quantum chemical calculations and a detailed description of 3D structures and corresponding properties of the studied compounds will be performed.

Clinkerless hydraulic ternary binder

Department: Department of Glass and Ceramics, Faculty of Chemical Technology
Theses supervisor: Ing. Martina Šídlová, Ph.D.

Annotation

The aim of the dissertation thesis is the preparation of a clinkerless hydraulic ternary binder with lower energy requirements and lower CO2 emissions in comparison to Portland cement, and which contains amorphous C-A-S-H as the binder phase. The development of the binder would be aimed at the lime activation of aluminosilicates, especially calcined clays. The work would also include a study of the reactivity of calcined clays from low quality and waste kaolinitic rocks. Another raw material of the binder would be waste gypsums. Hydration products would be study by a number of methods: XRD, SEM + ED, IR, or NMR Solid State, TGA and porosimetry. The work would include the determination of mechanical properties of the prepared ternary binder after the hydration period in a time horizon longer than 1 year. The work is part of an effort to increase the durability of concrete, because modern concrete has the lower durability in comparison to Roman concrete, which has resisted to atmospheric and sea water condition for more than 2,000 years. It turns out that in Roman concrete the main binder phase is C-A-S-H, which is attributed to the high durability of Roman concrete.

Coating for induction heating of glass

Department: Department of Glass and Ceramics, Faculty of Chemical Technology
Theses supervisor: doc. Dr. Ing. Martin Míka

Complex characterization of transcriptome and proteome in tissues of human newborns

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programme: Bioinformatika
Theses supervisor: Mgr. Michal Kolář, Ph.D.

Annotation

Early postnatal period is critical with respect to development of the key physiological functions and homeostatic mechanism of the newborn, as well as for imprinting the metabolic features that could be manifested during the adolescence and adulthood. A unique biobank of the autopsy samples of various is available that had been collected from human newborns, mostly very premature newbors. Characterization of the transcriptome (RNAseq) and proteome of the tissues is ongoing. The project will focus on the data analysis in order to reveal various aspects of early human development and its control. It will proceed in close collaboration between the Laboratorty of Adipose Tissue Biology of the Institute of Physiology of the Czech Academy of Sciences (CAS) (http://www.fgu.cas.cz/en/departments/adipose-tissue-biology), the Institute for Inherited Metabolic Disorders, First Faculty of Medicine, Charles University (http://udmp.If1.cuni.cz/en/genomics-and-bioinformatics-laboratory) in Prague and the Laboratory of Genomics and Bioinformatics of the Institute of Molecular Genetics CAS (https://www.img.cas.cz/research/michal-kolar/ ).

Comprehensive approach to structural analysis of novel polycyclic diterpenes from termites

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Mgr. Pavlína Kyjaková, PhD.

Annotation

Termites are the group of insects with the richest repertoire of defensive chemicals. They are especially famous for the production of roughly one hundred different polycyclic diterpenes with variable topologies of double bonds combined with different oxygenated moieties attached to bi-, tri- and tetracyclic diterpene skeletons. In spite of the extensive quest for new termite diterpenes during the past decades, large part of their structural richness remains undiscovered. The proposed PhD. project focuses on chemical diversity of polycyclic diterpenes in the so-called Subulitermes group of species from South America, in which we recently unveiled an unexpected repertoire of diterpenes structures. The project will address the diterpene diversity as a tool for chemical taxonomy on the one hand, and an opportunity to fully identify structures of new and complex natural compounds on the other hand. The first goal will be to characterize individual species based on combination of characteristic chemical profiles with mitochondrial DNA sequences, to identify new species, to discriminate cryptic species, and ultimately to build phylogenetic hypotheses on their relationships. The knowledge on the overall diterpene diversity will serve as a basis for the second goal of the project, which will combine traditional analytical workflow with modern approaches and computational tools to fully characterize the molecular structures in a maximum of detected diterpenes.

Comprehensive approach to structural analysis of novel polycyclic diterpenes from termites

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: Mgr. Pavlína Kyjaková, PhD.

Annotation

Termites are the group of insects with the richest repertoire of defensive chemicals. They are especially famous for the production of roughly one hundred different polycyclic diterpenes with variable topologies of double bonds combined with different oxygenated moieties attached to bi-, tri- and tetracyclic diterpene skeletons. In spite of the extensive quest for new termite diterpenes during the past decades, large part of their structural richness remains undiscovered. The proposed PhD. project focuses on chemical diversity of polycyclic diterpenes in the so-called Subulitermes group of species from South America, in which we recently unveiled an unexpected repertoire of diterpenes structures. The project will address the diterpene diversity as a tool for chemical taxonomy on the one hand, and an opportunity to fully identify structures of new and complex natural compounds on the other hand. The first goal will be to characterize individual species based on combination of characteristic chemical profiles with mitochondrial DNA sequences, to identify new species, to discriminate cryptic species, and ultimately to build phylogenetic hypotheses on their relationships. The knowledge on the overall diterpene diversity will serve as a basis for the second goal of the project, which will combine traditional analytical workflow with modern approaches and computational tools to fully characterize the molecular structures in a maximum of detected diterpenes.

Computational electrochemistry: Developement of new methods and applications

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

Annotation

The Thesis focuses on developement of new apprroaches for charge transfer modelling. The work includes both the charge transfer between molecules as well as the charge transfer between a molecule and electrode. Modern approaches based on ab initio molecular dynamics will be used. For more information, see http://photox.vscht.cz/

Computational mass spectrometry

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programmes: Bioinformatika, Bioinformatics
Theses supervisor: Ing. Tomáš Pluskal, Ph.D.

Annotation

Our lab combines cutting-edge experimental (e.g., LC-MS, metabolomics, RNA-seq) and computational (e.g., bioinformatics, molecular networking, machine learning) approaches to develop rapid, generally applicable workflows for the discovery and utilization of bioactive molecules derived from plants. We are looking for talented and motivated computational researchers to join our team. The successful candidate for this position will be developing the next generation of the MZmine platform (https://mzmine.github.io) for mass spectrometry data processing in metabolomics. Among other things, we are aiming to add full support for ion mobility spectroscopy (IMS) to MZmine, and to enhance its molecular networking capabilities. Experience with Java programming is recommended.

Computer modelling of non-thermal plasma and electrical discharges

Department: Department of Physics and Measurement, Faculty of Chemical Engineering

Annotation

Scope of this work is the computer modelling of non-thermal plasma in electrical discharges. It may help to clarify the plasma-chemical reactions in discharges and the spatial distribution of generated particles. Work deals with the issue of plasma physics, computer modelling, possible method for the modelling of selected problem and comparison with the experiment. It is also possible to combine this work with the investigation of bactericidal effects of plasma or the interaction with organic structures.

Continuous ion chromatography for the separation of alkali metal ions

Department: Department of Power Engineering, Faculty of Environmental Technology
Study programme: Energie a paliva

Continuous preparation of multicomponent drug solid forms

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Screening of new solid forms is typically done in small scale systems including shaken flasks, evaporating systems, ball mills etc., which by design operate in a batch model. Once new solid form is discovered scaling its production is often very complex task. In this project we plan to test capability to utilize the rotary extruder to prepare multicomponent solid forms of drug substances such as salts, co-crystals or co-amorphs. Initially we will use ball mill to prepare new solid forms of selected drug substance. Upon characterization we will upscale of the production process to the application of extrusion, where same form of the drug substance will be prepared in a continuous mode. Detailed investigation of the process parameters will be done to optimize the production process. Both products will be thoroughly characterized including XRD, NMR, Raman spectroscopy, DSC, SEM, particle characterization, measurement of dissolution and stability testing.

Control of membrane filtration process with backwash

Department: Department of Carbohydrates and Cereals, Faculty of Food and Biochemical Technology

Annotation

Tangential flow membrane filtration is used as a separation method in all kind of industries. This is a process in which the membrane forms a selective barrier and the inlet is continuously fed along the membrane. Unlike conventional filtration, there is no formation of filtration cake and filtration can take place for a long time; pressure is most often the driving force. The whole system is then composed of membrane modules, pressure gradient pumps and control valves to ensure the desired direction of the filtered medium. The work is focused on the filtration of food products with the aim to isolate, separate or thicken the selected component from the feed mixture, using the measured data to build a filtration model and use it in the design and implementation of a higher management system. The measurement will be carried out on the existing double-pump filtration unit TIA with ceramic membrane modules and backwash unit. The station is also equipped with pressure, temperature, flow and primary pressure control via flap valves via the Siemens S1200 programmable logic controller.

Controlling drug crystals properties during crystallization and their impact on consequent unit operations

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Active Pharmaceutical Ingredients (APIs) are commonly small molecules, which are prepared by crystallization process. Properties of prepared crystals (i.e. physico-chemical but also formulation properties) are strongly dependent on the used drug solid form, their size and crystal morphology. Therefore, the focus of this project is to study impact of crystallization process parameters and post-processing step on the prepared drug crystals with respect to size, morphology and polymorphism. Temperature modulated batch crystallization will be combined with wet-milling process to control the shape as well as flow properties of prepared drug crystals. Crystallization step will be combined with following steps, i.e. filtration and drying, to evaluate the impact of the crystal size and shape on the efficiency of these unit operations. In parallel, we will also study impact of washing step on the amount of remaining solvent and the polymorphic stability of the final product. While pharmaceutical industry is typically using batch operation, as a part of this project we will investigate the possibility to prepare same drug crystals as studied in batch mode in a continuous process. Process analytical technology capable to measure crystal size, shape and morphology com will analysis of composition via Raman spectroscopy will be used to ensure constant product quality. On-line measurement will be supported by off-line measurement via SEM, IR spectroscopy, XRD and NMR. Student will be also involved in the scale up of developed process.

Covalent catalysis with flavins

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: prof. Ing. Radek Cibulka, Ph.D.

Annotation

Flavins are natural compounds acting as cofactors in redox enzymes. The mechanism of transformations provided by flavoenzymes are known for several decades. Nevertheless, very recently, new principles of a substrate activation have been described. They are mainly based on covalent bonding of the substrate to the flavin moiety. Being inspired by these newly discovered enzymatic processes, new flavin artificial catalytic systems for application in organic synthesis will be designed. Main application will be in-situ umpolung of enolates.

Critical assessment of potential of various gas chromatography - mass spectrometry platforms in food analysis

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology

Annotation

The doctoral thesis will focus on a critical assessment of performance characteristics of analytical methods employing various set-ups of gas chromatographic (GC) separation systems and various types of mass spectrometric analyzers. For separation of complex mixtures, the use of two-dimensional gas chromatography (GCxGC) will be tested, for detection, tandem time-of-flight (Q-TOF) high resolution and/or triple quadrupole (QqQ) mass analysers will be employed. The applications will be concerned with food quality, safety and authenticity evaluation. Special attention will be paid to approaches based on non-target screening (fingerprinting / profiling).

Crystalline sponge method

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Tomáš Pluskal, Ph.D.

Annotation

Our lab combines cutting-edge experimental (e.g., LC-MS, metabolomics, RNA-seq) and computational (e.g., bioinformatics, molecular networking, machine learning) approaches to develop rapid, generally applicable workflows for the discovery and utilization of bioactive molecules derived from plants. We are looking for talented and motivated chemist with a strong experience in small molecule X-ray crystallography. The successful candidate for this position will be developing protocols for the “crystalline sponge” structure elucidation method and applying them to various plant natural products, particularly terpenes.

Damage to high-alloyed materials in cooling water circuit and suggestion of an effective life management procedure

Department: Department of Power Engineering, Faculty of Environmental Technology
Study programme: Energie a paliva
Theses supervisor: doc. Ing. Jan Macák, CSc.

Annotation

Stainless steels are widely used material in a nuclear power plant. Stainless steels are used also in the cooling water circuit. However, under the conditions of a cooling water circuit, a possible microbial activity can aggravate risks for the use of stainless steels. The aim of this work is to increase a reliability of stainless steels performance in a cooling water circuit and to propose procedures for effective management of their service life.

Design and application of supra-lipidic structures

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

The gastro-intestinal transit, emulsification, digestion and absorption of lipidic components from food is crucial not only from the nutritional point of view but also for the dissolution and absorption of many drugs, and therefore their bioavailability. An increasing number of active pharmaceutical ingredients (APIs) that enter the drug development process are highly lipophilic, which makes their bioavailability susceptible to patient-specific dietary habits and often leads to undesired phenomena such as positive food effect. For some APIs, the bioavailability can be up to five times higher when taken on a full stomach compared to bioavailability in the fasted state. The aim of this project is to develop a formulation platform that would make the dissolution, absorption and pharmacokinetics of lipophilic APIs independent of food intake, while not containing a large amount of lipids in the formulation itself. The idea is to create particles that “look like lipids” on the outside but their volume contains predominantly the API or other excipients. Such structures can include e.g. drug suspensions encapsulated in giant liposomes or their aggregates, drug nanocrystals coated by a phospholipid monolayer, or drug-loaded mesoporous silica particles encapsulated within a lipid bi-layer. These elementary structures can also be combined, carrying e.g. several different APIs, functional excipients for absorption enhancement, or pH modifiers that can further reduce patient-to-patient variability.

Design and optimization of 3D printed catalytic supports for gas-liquid flow conditions

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Petr Stavárek, Ph.D.

Annotation

3D printing technology provides new possibilities for the design and fabrication of chemical reactors and catalyst supports. Principally it brings the possibility to tailor the device or catalyst support to the selected process. Therefore, this work’s objective is the design and 3D printing of an optimal structure of catalyst support that is tailored to a model heterogeneous reaction. The optimized design will result from an experimental study of single- and two-phase flow hydrodynamics through structured fillings and process modeling by CFD (OpenFOAM, ANSYS Fluent). The candidate should have a good knowledge of chemical and reaction engineering and have good computer skills to learn data acquisition and evaluation systems, mathematical modeling software and 3D printing process. To complete the delegated tasks, personal abilities such as independence, creativity, and teamwork will be required.

Design and synthesis of inhibitors of purine nucleoside phosphorylases – SAR study

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Zlatko Janeba, Ph.D.

Annotation

We have recently prepared a novel type of acyclic nucleoside phosphonates as potent inhibitors of human purine nucleoside phosphorylase (hPNP). Such compounds may have potential to treat various T-cell leukemias. In order to select suitable candidates for preclinical evaluation, the goal is design and synthesis of a larger amount of derivatives and evaluation of their biological properties. The synthesis of potential PNP inhibitors will be developed and optimized.

Design and synthesis of inhibitors of purine nucleoside phosphorylases – SAR study

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Zlatko Janeba, Ph.D.

Annotation

We have recently prepared a novel type of acyclic nucleoside phosphonates as potent inhibitors of human purine nucleoside phosphorylase (hPNP). Such compounds may have potential to treat various T-cell leukemias. In order to select suitable candidates for preclinical evaluation, the goal is design and synthesis of a larger amount of derivatives and evaluation of their biological properties. The synthesis of potential PNP inhibitors will be developed and optimized.

Design and synthesis of novel photoswitches derived from heteroarylazobenzenes and bis-azobenzenes

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Zlatko Janeba, Ph.D.

Annotation

We have recently reported synthesis of variously substituted 5-phenylazopyrimidines (see references for more information). Their physicochemical properties were studied using in situ irradiation NMR spectroscopy and optical spectroscopy. The goal of the current project will be synthesis of novel molecular photoswitches based on a combination of bis-azobenzenes and pyrimidines (and other heterocycles), namely bis(pyrimidinyldiazenyl)benzenes. Their synthesis will be developed/optimized and their physicochemical properties will be studied.

Design and synthesis of novel photoswitches derived from heteroarylazobenzenes and bis-azobenzenes

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Zlatko Janeba, Ph.D.

Annotation

We have recently reported synthesis of variously substituted 5-phenylazopyrimidines (see references for more information). Their physicochemical properties were studied using in situ irradiation NMR spectroscopy and optical spectroscopy. The goal of the current project will be synthesis of novel molecular photoswitches based on a combination of bis-azobenzenes and pyrimidines (and other heterocycles), namely bis(pyrimidinyldiazenyl)benzenes. Their synthesis will be developed/optimized and their physicochemical properties will be studied.

Design and synthesis of novel prodrugs of acyclic nucleoside phosphonates

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Zlatko Janeba, Ph.D.

Annotation

Acyclic nucleoside phosphonates (ANPs) represent an important class of antiviral agents. The phosphonate group is deprotonated at physiological pH and, thus, ANPs are polar molecules unable to effectively penetrate into cells. Prodrugs of ANPs help to overcome this obstacle. The goal of the project will be design and synthesis of novel prodrugs of ANPs and study of their properties.

Design and synthesis of novel prodrugs of acyclic nucleoside phosphonates

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Zlatko Janeba, Ph.D.

Annotation

Acyclic nucleoside phosphonates (ANPs) represent an important class of antiviral agents. The phosphonate group is deprotonated at physiological pH and, thus, ANPs are polar molecules unable to effectively penetrate into cells. Prodrugs of ANPs help to overcome this obstacle. The goal of the project will be design and synthesis of novel prodrugs of ANPs and study of their properties.

Design of high performance flexible supercapacitors based on cellulose nanofibrils and conductive polymers

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering

Annotation

The present project aims at designing of novel, flexible and lightweight electrodes based on sustainable materials. Electrodes will be then used for development of high performance supercapacitors with tailored structure and high capacitance. Herein, the emerging bio-sourced cellulose nanofibrils (CNF) will be employed as a matrix to prepare supercapacitor electrodes with electrically conducting polymers (ECP) and nanofillers (e.g. carbon nanomaterials). CNF will act as a mechanical skeleton capable of high deformation and as a useful template for tailoring functionalities and preparing porous networks in form of films. New approaches of polymer/nanofiller compatibilization will be investigated to combine together different materials and different properties into free-standing CNF-ECP based electrode films with optimal morphology and properties. The electrodes exhibiting the best capacitances, flexibility and thermal stability will be used in fabrication and testing of supercapacitor devices.

Determination of the composition of natural gas using Raman spectroscopy

Department: Department of Gaseous and Solid Fuels and Air protection, Faculty of Environmental Technology
Study programme: Energie a paliva

Annotation

Natural gas contains hydrocarbon and inert components which can be commonly determined using gas chromatography. Utilization Ramana spectroscopy for analysis of substances contained in the natural gas has not been more widely studied and the use of spectral methods has great potential in the future compared with chromatographic methods. The aim of this work is the study of qualitative and quantitative analysis of the components of natural gas using Raman spectroscopy.

Determination of vapour pressures of environmentally important high-boiling compounds

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Annotation

The vapor pressure is one of the most frequently measured thermodynamic properties for pure organic compounds. Measurements are relatively easy for low boiling compound (e.g. components of gasoline) and precise data can be found in handbooks and databases. On the other hand, measurements of high boiling compounds such as polyaromatic hydrocarbons or phthalates represents challenging task and existing data are scarce and associated with high uncertainty, which prevents reliable modelling of fate of these chemicals in the environment. Non-commercial apparatuses assembled in our laboratory enable measurement in subpascal pressure region; methodology of thermodynamically controlled extrapolation developed by us enables reliable vapor pressure determination in sub-millipascal pressure region. The work will focus on determination of vapor pressures for a group of polyaromatic hydrocarbons listed in the USA EPA Priority List of Pollutants, as a part of our cooperation with several European laboratories.

Development and application of a digital twin bioreactor model for modelling of production of biopharmaceuticals

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Production of biopharmaceuticals is typically done in a stirred and sparged bioreactors, which combine a fluid flow and microorganism metabolism to produce final product with desired amount and quality. However, often interplay between poor mixing, low dissolved oxygen concentrations, high amount of CO2 and hydrodynamic stress negatively affect the cell behavior resulting in a lower product amount and decreased product quality. In this project we will use recently development CFD model of stirred and sparged bioreactor capable to predict hydrodynamic stress and mixing time and extend it to descritpion of dissolved O2 and CO2 concentrations, uptake of nutrients and release of metabolic products. Information about the fluid flow will be combined with a hybrid model describing detailed microbial metabolism. Tuning of model parameters and its testing will be done against experimental data measured in fermenters of various sizes. Once validated, developed model will be used to test and propose modifications of existing fermenters to optimize the fermentation process.

Development and verification of hydrometallurgical routes for recovering critical metals from mineralized waters

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: Ing. Nguyen Hong Vu, Ph.D.

Annotation

The thesis deals with development and verification of hydrometallurgical routes for recovering critical metals from mineralized waters (brines) on the territory of the Czech republic. The metals of interest are mainly lithium, rubidium, boron and others, which are present in koncentration up to few hundreds ppm in the chloride and sulfate solutions. The methods such as membrane separation, ion-exchange and solvent extraction will be studied for separation and concentration of the metals of interest. From the concentrated solutions the metals will be obtained in their compounds form by suitable combination of traditional hydrometallurgical methods.

Development of 3D cell cultures for the evaluation of drug delivery systems

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Development of Lanthanide Luminescent Complexes for Raman Spectroscopy and Imaging

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Theses supervisor: prof. RNDr. Petr Bouř, CSc.

Annotation

Lanthanide luminescent complexes seem to be very suitable for imaging of living cells by the Raman microscopy. For example, they are more stable and spectra are more specific than for organic dyes. We will further improve their functionality so they will bind to specific biomolecules or cellular structures. Spectroscopic properties, such as fluorescent quantum yield, will be optimized as well. The work will include organic synthesis, characterization of the spectroscopic response, e.g., upon interaction with proteins and nucleic acids, and polarization measurements with left- and right-circularly polarized light.

Development of analytical methods for forensic analysis of nuclear materials

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Development of analytical procedures for the determination of new per- and polyfluoroalkylated substances in foods and biological samples

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology

Annotation

This dissertation will be focused on the development of ultra-sensitive analytical methods for the determination of a wide range of per- and polyfluoroalkylated substances (PFASs) in foods, especially of animal origin, and in drinking water, which are the main dietary source of human exposure. The work will be firstly aimed on the extension of existing methods by new substances, e.g. short-chain carboxylic acids (C2-C3), telomeric compounds including their precursors. Liquid chromatography coupled with tandem mass spectrometry will be used for the analysis of targeted chemicals, based on their polarity and volatility, for some substances gas chromatography with mass spectrometry will also be applied, to achieve required performance characteristics. Subsequently, the new analytical procedures will be applied to assess the exposure of the population of the Czech Republic to these substances on the basis of their analysis in selected food commodities and drinking water. The dissertation will also include a study in the field of human biological monitoring, where the targeted PFASs will also be determined in human biological samples such as breast milk, blood serum and urine. Distribution of these substances in individual types of samples will be evaluated. This work will provide new data necessary for the complex risk assessment associated with the exposure of different population groups to these substances

Development of analytical procedures for the determination of new perfluoroalkylated substances in food and biological samples

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology
Study programme: Food and Natural Products

Annotation

This dissertation will be focused on the development of ultra-sensitive analytical methods for the determination of a wide range of perfluoroalkylated compounds (PFAS) in foods, especially of animal origin, and in drinking water, which are the main dietary source of human exposure. The work will be firstly aimed on the extension of existing methods by new substances, e.g. short-chain carboxylic acids (C2-C3), telomeric compounds including their precursors. Liquid chromatography coupled with tandem mass spectrometry will be used for the analysis of targeted chemicals, based on their polarity and volatility, for some substances gas chromatography with mass spectrometry will also be applied, to achieve required performance characteristics. The new analytical procedures will subsequently be applied to assess the exposure of the population of the Czech Republic to these substances on the basis of their analysis in selected food commodities and drinking water. The dissertation will also include a study in the field of human biological monitoring, where the targeted PFAS will also be determined in human biological samples such as breast milk, blood serum and urine. It will be evaluated for the distribution of these substances in individual types of samples. This work will provide new data necessary for the complex risk assessment associated with the exposure of different population groups to these substances.

Development of atmospheric corrosion monitoring techniques

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Milan Kouřil, Ph.D.

Annotation

Majority of metallic objects, like metallic structures, vehicles, construction elements, cultural heritage, etc., is exposed in atmosphere. It deals with extreme costs and safety risks originated in corrosion. Corrosion protection is applied to avoid or minimize the impacts. There are many corrosion monitoring techniques available which might be applied for verification of corrosion countermeasures efficiency. However, the techniques must be accommodated to specific conditions of the particular fields. The project is focused on development of new device for atmospheric corrosion monitoring. The principle of the technique based on the electrical resistance method will be inovated. New corrosion sensors, electronics, software and data transfer and treatment will developed as well.

Development of computer interpretation of nuclear magnetic resonance spectra for molecular structure elucidation.

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering

Annotation

Determination of molecular structure by means of computer programs, especially from NMR spectra, nowadays surpasses man not only in speed but also in accuracy. However, the interpretation of experimental spectra remains an unresolved part of molecular structure determination. The aim of this work is to process 1D and 2D NMR spectra using own algorithms that enable automated determination of molecular structure of studied compounds.

Development of digital human scent signatures database

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Development of electrochemical methods for forensic analysis of psychoactive compounds

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Development of gluten-free sourdoughs and optimization of their physicochemical and nutritional parameters

Department: Department of Carbohydrates and Cereals, Faculty of Food and Biochemical Technology

Annotation

Recently, there has been an increase in the population's interest in gluten-free products of all kinds, especially bread and other bakery products. Gluten-free products are required not only by groups of people suffering from celiac disease or other forms of gluten intolerance, but also by many other takers who are not diagnosed with intolerance. At the same time, there is a growing interest in bakery products containing various types of vital sourdoughs. The aim of this work will be testing and optimization of technological procedures used in the preparation of sourdoughs from gluten-free cereals and pseudocereals (sorghum, rice and buckwheat). In particular, procedures for activation of fermentation processes from available commercial starter cultures and also spontaneously started based on natural flour microflora will be examined. Furthermore intrinsic fermentation conditions (temperature, time, consistence). The procedures will be optimized on the basis of selected physicochemical characteristics of the resulting sourdoughs (especially pH and titratable acidity, content and mutual ratios of organic acids, profiles of volatile compounds), selected nutritional characteristics and further on the sensory properties of the sourdoughs and experimental bakery products prepared using them.

Development of high pressure Raman and Raman optical activity spetroscopy

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Theses supervisor: prof. RNDr. Petr Bouř, CSc.

Annotation

Vibrational spectra at high pressures, such as of biologically relevant molecules, provides insight into molecular structure and interactions. We will measure Raman spectra of model systems in the diamond pressure cell and interpret the spectra based on molecular dynamics simulations. We will also try to further develop the technique so that new information can be obtained using differential scattering of left and right circularly polarized light (Raman optical activity).

Development of methodology for processing and evaluation of signals from biospectroscopic analyses for clinical use

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Annotation

Spectroscopic methods have been gradually more often utilized in analyses of clinical samples, resulting in large volumes of multidimensional data. The dissertation will be focused on the automation of individual steps from the pre-analytical phase to the statistical evaluation of the acquired data with the aim to achieve the highest possible repeatability and reproducibility. The student will actively participate in the analyses of biological samples (blood plasma, tissues) using vibrational and chiroptical spectroscopy, specifically infrared absorption, Raman spectroscopy, electronic circular dichroism and Raman optical activity. The thesis will also address the need of effective processing of large amounts of extensive data sets. For this, algorithms will be developed in order to facilitate the processing of the acquired spectra and subsequent multivariate statistical analysis thereof. The dissertation will be realized within cooperation with clinical workplaces of the General University Hospital in Prague, and Military University Hospital.

Development of methods for studying extremely low vapor pressures

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)
Theses supervisor: Ing. Vojtěch Štejfa, Ph.D.

Development of modern electromagnetic radiation shields as passive protection of information against eavesdropping

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering

Annotation

The proliferation of modern electronics, integrated circuits, microprocessors and communication and computer technology in general brings with it a high risk of disclosing critical information about the infrastructure in which these elements are used. In the extreme case, there may be a leak or takeover of administrative privileges, which can be misused for digital vandalism, disclosure of important information or attacks on the infrastructure itself. One of the very effective and difficult to detect methods of these attacks is the remote eavesdropping on information that is emanated from electronic devices in the form of electric or magnetic fields. With the development of inexpensive radio technology and as a result of readily available libraries and signal processing algorithms, such an attack may no longer be the sole domain of rich, state-sponsored organizations, but may gradually be adopted by the mainstream hacking community and misused for criminal purposes.
The aim of this work is to explore the possibilities and develop and test light and flexible protective shields based on modern nanomaterials, which will serve as an effective passive protection of electronic devices against remote eavesdropping. For this purpose, new composite materials based on electrically conductive nanoparticles with magnetic properties will be prepared. The possibilities of their compatibility with the carrier, chemical structure and morphology, mechanical, electrical and magnetic properties and methods and the possibilities of their processing into the required shape and form suitable for use in miniature electronics will be studied. The experiments will also include testing passive shields in simulated and real conditions and evaluating their ability to dampen electromagnetic waves emitted by electronic devices.

Development of nanoparticles for drug delivery in wound healing

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Main focus of this project is to synthesize multifunctional vesicles loaded with hydrophilic and hydrophobic drugs to be used in wound healing. Since these particles can be used directly or as an intermediate during skin dressing their detailed characterization and colloidal stability will be essential. Student will study the impact of vesicle composition (primary system will be surfactant and cholesterol forming niosomes) and method of preparation on the size and properties of the formed nano carriers as well as drug encapsulation efficiency. Once drug will be loaded into vesicles the release kinetics will be measured as a function of molecular weight of used surfactants and ionic strength. Quality of the prepared samples will be characterized by combination of analytical techniques including 3D modulated DLS, Depolarized DLS, static light scattering, optical video microscopy combined with image analysis and cryo-TEM. While batch production mode is simple to realize, part of the project will be also preparation of multifunctional vesicles in microfluidic systems and compare their properties with batch production method.

Development of new chemical tools to study cell-cell interactions

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Milan Vrábel, Ph.D.

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Cell-cell interactions play an important role in a myriad of biological processes. These interactions enable cells to communicate, respond to changes in the environment and are involved in many pathologies including cancer. Despite their importance, our ability to study the molecular details and nature of these interactions is still very limited. In this project, we will employ chemical glycoengineering in combination with biocompatible chemical crosslinking reactions to capture, identify and study biomolecules involved in these interactions. This project aims to elucidate the complexity of cell-cell interactions and shed light on individual proteins involved in the process. The ideal candidate should have interest in organic chemistry, chemical biology and related fields.

Development of new chemical tools to study cell-cell interactions

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Milan Vrábel, Ph.D.

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Cell-cell interactions play an important role in a myriad of biological processes. These interactions enable cells to communicate, respond to changes in the environment and are involved in many pathologies including cancer. Despite their importance, our ability to study the molecular details and nature of these interactions is still very limited. In this project, we will employ chemical glycoengineering in combination with biocompatible chemical crosslinking reactions to capture, identify and study biomolecules involved in these interactions. This project aims to elucidate the complexity of cell-cell interactions and shed light on individual proteins involved in the process. The ideal candidate should have interest in organic chemistry, chemical biology and related fields.

Development of new ultralight-weight magnesium-based alloys for aviation

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: Ing. Jiří Kubásek, Ph.D.

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Magnesium alloys are characterized by low density and a relatively high strength-to-weight ratio. From this point of view, they are interesting materials for applications in the automotive and aerospace industries. To improve the mechanical and corrosion properties, other metals like Al, Zn, Mn, Y, Nd, Gd, etc are very added. An interesting alloying element is Li, which as the lightest metal further reduces the density of the resulting alloy. Such behaviour is desirable for the potential reduction of CO2 emissions. Depending on the Li concentration, it is also possible to achieve a bcc structure and thus significantly improve the plasticity of the material. However, the strength and corrosion resistance of Mg-Li alloys are relatively poor, which prevents their wider use. This work aims to design and prepare by various processes including conventional casting and extrusion, as well as unconventional methods of powder metallurgy (mechanical alloying, spark plasma sintering - SPS, selective laser melting - SLM) magnesium alloys with Li and other alloying elements. The work will characterize in detail the influence of the microstructure on the mechanical and corrosion properties of the prepared materials. Besides, the optimization of selected preparation procedures leading to the required improvements of properties will be performed. Close cooperation with the organizations like Institute of Metals and Technology, Ljubljana and the Institute of Materials and Machine Mechanics, SAS, Bratislava is expected.

Development of portable apparatus for a contactless collection of genetic and scent samples

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Development of scaling-up methods of industrial mechanically agitated reactors

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Tomáš Moucha

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Fermenters or, in general, mechanically agitated aerated vessels are frequently used in industry for the intensification of gas-liquid mass transfer, especially in the case of a low gas to liquid volume ratio. Industrial processes as aerobic fermentations, hydrogenations and chlorinations can serve as examples of their application. In many processes the gas-liquid interfacial mass transfer becomes the rate determining step, so the volumetric mass transfer coefficient becomes the key parameter in the design. Mass transfer laboratory pays many year effort to gas-liquid mass transfer measurement in mechanically agitated gas-liquid dispersions with the aim to formulate the scaling-up rules for industrial vessels design. In the frame of this research an extensive experimental work has been done using various batch types (coalescent, non-coalescent, viscous) and for various impeller types (from purely axially pumping to purely radially pumping ones) and their combinations. After collecting large data series in laboratory scale vessels, experimental work continues using pilot-plant vessel equipped with a modern computer controlled regulation and data acquisition system in the form used also in industry. The aim of the PhD work is to collect the transport characteristics (impeller power, gas hold-up and volumetric mass transfer coefficient, kLa) measured in the pilot-plant vessel using various types of impellers (e.g., Rushton Turbine, Lightnin, Techmix, Pitched Blade impellers). The experimental research will be now focused to the transport characteristics in viscous batch and in the presence of solid particles. Both high viscosity and solid particles presence are typical features of industrial fermentation broths. Based both on the laboratory data and on the pilot-plant data the scaling-up rules will be formulated, which will be employable for industrial gas-liquid contactors design. A PhD student will get acquainted with the design methods of other gas-liquid and vapour-liquid processes as well, because he/she will work in the team dealing also with the absorption columns, distillation columns and ejector bubble columns design. More info: Tomáš Moucha, UCT building B, ground floor, room No. T02a, phone: 220 443 299, e-mail: mouchat@vscht.cz

Development of the bipolar plates for the PEM type fuel cells

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: prof. Dr. Ing. Karel Bouzek

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Bipolar plates represent an important part of the fuel cell construction set-up. They contribute significantly also to the fuel cells stack production costs. This is because of corossion aggressiveness of their working environment and related material demands. Target of this project is to develop alternative approach based on utilisation of steel based plates surface modified by suitable composite. Inseparable part of the project is CFD modelling of the reactants and products flow in the flow field geometry targeted to optimise their structure.

Digitization of water infrastructure: Development of a digital twin wastewater treatment plant

Department: Department of Water Technology and Environmental Engineering, Faculty of Environmental Technology
Theses supervisor: doc. Ing. Jan Bartáček, Ph.D.

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As in other sectors, the main aspects of Industry 4.0 are increasingly being used in water management: digitization, maximum use of data, use of artificial intelligence to obtain predictive data, etc. In particular, data (on water consumption, wastewater quantity and quality, etc.) have become one of the most valuable commodities of water management and their importance will undoubtedly grow in the coming years. The main topic of this dissertation will be the development of a digital twin of a real wastewater treatment plant (WWTP). This tool consists of a detailed database of all WWTP facilities, incl. data on operation and maintenance and energy intensity, the on-line connection of sensors, the unification of data flow, and detailed spatial description of the entire WWTP. The main goal is the ability of predictive evaluation of WWTP operation optimizations.

Does the lack of sex affect our genomes and phenotypes? The impact of asexual reproduction on genomes, populations and fitness of clonal individuals.

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programme: Bioinformatika
Theses supervisor: Mgr. Jan Pačes, Ph.D.

Dynamics of multi-phase systems: gas-liquid-solid

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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Multiphase systems are all around us, in nature and in industry technologies and applications (sedimentation, fluidization, bubble columns, flotation apparatuses, etc.). Due to the complexity and applicability of these systems, it is seriously worth to study their hydrodynamic aspects. The present PhD research will focus on the experimental and theoretical description of processes controlling multiphase dispersions at microscale level (like bubble coalescence, bubble-particle collision) and their consequences on the flow regimes at the macroscale level (bubble columns, flotation apparatus, etc.). The obtained results will be valuable in many industrial applications (chemical and oil industry, food processing, metallurgy, pharmaceutical and environmental industry).

Ecotoxicological evaluation of drugs and micropollutants present in the ecosystem

Department: Department of Water Technology and Environmental Engineering, Faculty of Environmental Technology

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The topic of the work will focus on the research of new species of algal cultures for ecotoxicity testing. Part of the work will be the preparation of alginate beads from different algal strains and determining the toxicity response in comparison with "live" algal cultures. Ecotoxicological effects will be determined on model or real samples containing micropollutants (pharmaceuticals). Examples of substances to be evaluated will be triclosan, diclofenac, glyphosate, benzotriazole, etc., and less studied drugs.

Effect of liquid physical properties on the mass transfer in various types of bioreactors

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Mária Zedníková, Ph.D.

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The production of new products in the field of biotechnology and pharmacy is often associated with a continuous change in the physical properties of liquids during the fermentation process. The physical properties of the batch mainly affect the mass transfer between gas and liquid and therefore they play a key role in the design of the bioreactor. The aim of the doctoral thesis is to study the mass transfer depending on the physical properties of used liquid media (viscosity, presence of various salts and surfactants) in the three types of the most commonly used bioreactors.
The work is intended as the cooperation of ICPF of the CAS (supervisor's workplace) and UCT Prague (consultant's workplace) appropriately complementing the second PhD topic offered by the consultant. Both cooperating workplaces are well equipped by necessary facilities i) stirred tank reactor, ii) bubble column and iii) air-lift reactor. All bioreactors are adapted to measure the volumetric mass transfer coefficient by the same methods, therefore the results will be comparable.
Requirements for an applicant: master degree in chemical or mechanical engineering, organic technology, biotechnology etc.; ability for teamwork; systematic and creative approach to scientific problems; interest in experimental work.

Effect of thermal processes on fiber composition and nutritional value of biscuits

Department: Department of Carbohydrates and Cereals, Faculty of Food and Biochemical Technology

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Fiber content is one of the important qualities of cereals. The presence of dietary fiber in the diet stimulates intestinal peristalsis, reduces the absorption of lipids, cholesterol and sugars. Technological food processing influences the content, bioavailability, nutritional quality and physicochemical properties of the dietary fiber. On the contrary, the addition of dietary fiber influences the technology and consequently the sensory quality of the food product. The role of dietary fiber is to contribute to a general microstructure of fiber-enriched foods. The thesis will focus on evaluation of influence of thermal processes used in the secondary processing of cereals on dietary fiber, and the bioactive substances accompanying fiber in the outer layers of grains. The theoretical part will devote to the definition, methods of determining and the health effects of dietary fiber and a description of technological operations, mainly thermal processes used in the production of biscuits and breakfast cereal products, which will be devoted to the experimental part of the work. Besides the traditional materials used in bakery technology also new specially milled flours and flours from unconventional sources as barley or buckwheat will test.

Effective properties of oxide and silicate ceramics and their dependence on composition, microstructure and temperature

Department: Department of Glass and Ceramics, Faculty of Chemical Technology

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This work concerns the effective properties of oxide and silicate ceramics, with a focus on the relations between composition, microstructure and elastic, thermophysical, thermoelastic, dielectric and piezoelectric properties. The student’s work includes the characterization of phase composition and grain size via X-ray diffraction, the microstructural characterization via microscopic image analysis, analytical calculations of effective properties via micromechanics (homogenization theory) for statistically isotropic and anisotropic (transversally isotropic) polycrystalline materials, analytical calculations and numerical modeling (computer simulation) of effective properties of multiphase materials (isotropic and transversally isotropic) and the comparison of theoretical predictions and the results and experimental measurements on real materials.

Elaboration of environmentally benign composites for shielding of electromagnetic interference

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering

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The project deals with design of environmentally benign composites in form of flexible free-standing films for electromagnetic interference (EMI) shielding application. The composites will be prepared from bio-sourced cellulose fillers and efficient receptors of EMI (e.g. supramolecular conducting polymers, carbon nanotubes, graphene, etc.) Novel approaches of matrix/receptor compatibilization will be designed. In addtion, fundamental aspects governing the behavior of the composites will be studied to understand the interactions occurring between the phases of the composites and the structure-properties relationships. Thorough experiments in the DC and AC electrical field on the composites and their components will be performed to reveal patterns driving the resulting shielding efficiency. Finally, the synergetic effect of both receptors leading to the controllable EMI shielding efficiency by absorption or reflection will be studied.

Elastic, dielectric and piezoelectric properties of ceramics and composites

Department: Department of Glass and Ceramics, Faculty of Chemical Technology

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Elastic, dielectric and piezoelectric properties are of fundamental importance for many types of functional ceramics and composites. Figures of merit for these materials, e.g. ceramics for hydrophone applications, are usually determined by a complex interplay of these three types of properties. This PhD topic focuses on the study of the dependence of the effective elastic, dielectric and piezoelectric properties on the microstructure, mainly porosity, pore shape and grain size (in the case of composites also volume fraction). The student is required to have a background in materials science (not necessarily specialized on ceramics) and an interest in challenging theory (full tensor formalism for second-, third- and fourth-order tensors), computer modeling and experimental work with real-world materials.

Electrochemical methods for process water treatment

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Martin Paidar, Ph.D.

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Electrochemical methods are suitable for water treatment due its simplicity and high efficiency. Main disadvantage is usually high price. Therefore electrochemical methods are used in the case of water of high salinity or otherwise contaminated. This is not possible to be treated by biochemical methods. Application of individual method has to be evaluated with respect to the direct process water composition.

Electrochemical synthesis of hypervalent iodine compounds as highly selective organic oxidants

Department: Department of Inorganic Technology, Faculty of Chemical Technology

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A highly selective oxidations of organic compounds belongs, especially in the case of highly added value products, among highly attractive processes. At present, such conversions are usually achieved using oxidation agents based on often toxic transition metals such as Cr(VI), Mn(VII), Ru(VI) či Os(VIII). An interesting „green“ alternatives to these oxidants represent benign hypervalent iodine based organic oxidation agents. The work will be focused on investigation of electrochemical behaviour of these compounds and their precursors. A motivation of the work is to use electrochemical oxidation for the production of hypervalent iodine oxidants allowing their application as industrial scale.

Electrochemistry of van Hove singularities in two-dimensional crystals

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Theses supervisor: Mgr. Otakar Frank, Ph.D.

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The PhD candidate will develop the methodology required to investigate the discontinuities in the density of electronic states (so-called van Hove singularities) in two-dimensional crystals and their heterostructures. The project will include the preparation of the materials (graphene, transition metal dichalcogenides like MoS2) by exfoliation or transfer, preparation of electrodes, and in-situ Raman and photoluminescence spektroelectroelectrochemical investigation coupled with electric transport and electron transfer measurement.

Elucidating the origin of magnetoelectric coupling in Fe4M2O9 phases

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology

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Multiferroic materials exhibiting at least two ferroic orders such as ferroelectricity and ferromagnetism are the focus of researchers attention. The magneto-electric coupling is very appealing for applications in devices, such as memories, where the magnetic information has to be controlled by an electric field. The thesis work will focus on the synthesis and the study of the structural/magnetic/dielectric/ ferroelectric properties of Fe4M2O9 mono- and poly-crystals. As these Fe2+ containing oxides exist only for M = Nb and Ta, the thermodynamic stability of these phases will be calculated in connection with their magneto-elastic coupling.

Enantioselective catalysis under the control of helical chirality

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: RNDr. Ivo Starý, CSc.

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The goal of the PhD project will be the development of new helically chiral ligands and metal complexes to be explored in enantioselective catalysis. The attention will be paid to asymmetric synthesis of helicene-derived N-heterocyclic carbenes, cyclic (alkyl)(amino)carbenes and cyclometallated helicenes. These chiral ligands/metal complexes will be applied to selected enantioselective reactions catalysed by transition metals such as alkyne cycloisomerisation, olefin metathesis or hydrogenation.

Environmental accessibility of selenium in power plant fly ashes

Department: Department of Solid State Chemistry, Faculty of Chemical Technology

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Selenium belongs both to esential and toxic elements, where the boundary between them is very thin. Power plant fly ashes deposited in landfills represent an important antrhropognic sourse of selenium. The stability of selenium in fly ashes is primarily affected by the quality of burned coal and actual combustion technology. In addition, the age of fly ash and the geochemistry of landfill area can play important role in selenium mobility at the place of its occurrence. The aim of the PhD Thesis will be to characterize the structure, mineralogical and chemical composition and surface properties of different types of fly ash. The next step will be to determine the amount and major forms of Se in fly ash (by sequential leaching), and to study their stabilty and interaction with surrounding environment, i.e. with soils, sediments, surface water and groundwater. The obtained results should help to estimate the gradient of environmental availability of selenium, together with its potential ecological risk.

Environmental impacts of alternative retail methods

Department: Department of Environmental Chemistry, Faculty of Environmental Technology

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The PhD thesis will deal with the assessment of the environmental impacts of food distribution in the so-called unwrapped shop. Using the LCA method, the usual way of food packaging and the so-called zero waste system will be compared. The aim of the diploma thesis will be to determine the environmental impacts of individual types of purchasing, identify the phases or processes causing the greatest environmental impacts, design material optimization of systems and assess various ways of handling packaging at the end of its life. Primary data regarding the production of cups will be obtained in cooperation with Penny Market.

Enzymes and biologically active molecules as effective components of biopesticides

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie

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In order to replace synthetic pesticides, recently, biopesticides based on enzymes and/or secondary metabolites of microorganisms have come to the forefront. Biopesticides are one of the main pillars of modern environmentally oriented approaches in (intensive) agriculture based on the prevention of environmental pollution. Such an environmentally friendly product should be designed as a mixture of biologically active molecules, thanks to which it has unique properties and complex effect. The genus Pseudomonas (e.g. Pseudomonas gessardii) appears to be a promising producer of biologically active molecules based on enzymes (chitinolytic enzymes), antibiological agents (pigments) or adjuvants (siderophores). From a technological point of view, the genus is a suitable producer that does not require demanding cultivation processes and expensive cultivation media. The research includes screening of suitable producers, comprehensive description of their properties and production of promising substances and design of suitable cultivation methods and bioreactors to produce active components of biopesticides.

Epigenetic changes in malignancies

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programme: Bioinformatika
Theses supervisor: Mgr. Michal Kolář, Ph.D.

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The tumour microenvironment significantly influences the behaviour of tumours from their origin, through proliferation to the development of metastases. Epigenetic changes, which are very often observed in tumour cells, are very likely to affect the behavior of other components of the tumour microenvironment, such as cancer-associated fibroblasts. The proposed work will deal with epigenetic changes in cells of the tumour microenvironment, description of changes in chromatin accessibility at the whole genome level, their statistical processing and interpretation of changes in the context of cellular signaling pathways in order to find new tumour markers or therapeutic targets.

Epiphytic and endophytic microorganisms of hops and their biotechnological potential

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie
Theses supervisor: prof. Dr. Ing. Petra Patáková

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The work will focus on the isolation and identification of microorganisms from various parts of the hop plant and on further investigation of selected isolates. Attention will be focused on the search for bioactive substances that could be used as growth stimulators or inhibitors of fungal growth in hop growing. Furthermore, the influence of selected isolates on hop storage and beer production will be monitored. The outputs of the work will be directed to both basic research (microflora mapping) and the application sphere (development of bio-spraying for plants based on plant probiotics). Various methods will be used in the work, from classical culture microbiological techniques, through MALDI and 16SrRNA identification of isolates (in selected cases, possibly sequencing of the whole genome in the case of bacteria) to various chromatographic techniques and methods of testing biological activity.

Equilibrium and kinetics in mechanochemical processes

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: Ing. Martin Krupička, Ph.D.

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Synthetic organic mechanochemistry studies reactions induced by mechanical force, most importantly in ball mills. The experimental conditions are substantially different from the usual chemistry in solution. This allows studying the chemical processes equilibria and kinetics also under extreme conditions. The goal of the work is the application of mechanochemical procedures on organic transformations and reaction condition optimization.

Erosion-controlled drug release from super-placebo tablets

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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The rate of drug release from a pharmaceutical tablet is one of its most important quality attributes. As an ever-increasing number of Active Pharmaceutical Ingredients (APIs) are developed in alternative solid-state forms such as metastable polymorphs, co-crystals or amorphs, it is desirable to control the rate of drug release by the properties of the tablet matrix rather than by the properties of the API itself. The aim of this project is to explore the so-called “super-placebo” concept, i.e. tablets that erode in a defined way which is independent of the API they contain. The project will systematically explore the relationship between the rate of tablet erosion, the proportion of soluble and insoluble excipients (e.g. mannitol, microcrystalline cellulose), and the manufacturing process parameters (e.g. compaction pressure). The ability to control drug release rate will be demonstrated using several real-world APIs. Advanced instrumental methods such as Magnetic Resonance Imaging, x-ray micro CT and high-speed video-imaging will be used in order to gain a deep understanding of the underlying tablet erosion mechanisms.

Evaluation of Environment Protection Policies

Department: Department of Environmental Chemistry, Faculty of Environmental Technology

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The dissertation thesis is focused on the impact evaluation of environmental policies and interventions. Methodologicaly, rigorous evaluation methods will be used.

Evaluation of Results and Impacts of Stakeholders Participation in Design and Implementation of Environment Protection Policies

Department: Department of Environmental Chemistry, Faculty of Environmental Technology

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The dissertation thesis is focused on the results and impact of stakeholders´ participation on design and implementation of environmental policies and interventions. In the analysis, the thesis should apply networked governance, application of place-based leadership, co-creation, co-production, or partnership.

Evaluation of food safety from the point of view of newly occurring groups of mycotoxins

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology

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Mycotoxins are toxic secondary metabolites of microscopic filamentous fungi occurring naturally on agricultural plants / crops. Today, hundreds of these substances are known, and their structure and biological effects differ depending on the type of their producer, the type of colonized plant, and environmental conditions. As chemically and thermally stable substances, they are being transferred into food and feed to a relatively large extent and can pose a health risk for consumers. Nowadays, the health risks of only a small fraction of these substances have been assessed, so data on the occurrence of new groups of mycotoxins, occurrence of which is related to ongoing climate change, are highly desirable and necessary for the risk assessment. The topic of the dissertation thesis reflects the need to obtain new information on the occurrence of mycotoxins (specified also by the European Food Safety Authority), and will include the development of new modern analytical methods based on liquid chromatography and mass spectrometry, and their implementation in screening and quantification of a wide range of mycotoxins in food and feed.

Evaluation of vitamins' levels in human biological samples

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology

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In this dissertation, analytical methods for the determination of lipophilic vitamins (A, D, E) and vitamin C in human biological samples such as breast milk and blood serum will be will be developed. The methods will be used to evaluate the levels of vitamins in breast milk. These vitamins are important for lung development and for brain development. According to published data, concentration of these vitaminas may be insufficiently in breast milk and it is often difficult to supplement the required vitamins in oral form in premature newborns. Therefore, in the next phase, substitution will be tested by oral intake to the mother and subsequent production into milk. The study will be carried out in cooperation with the hospital in České Budějovice. The project will monitor the concentration of vitamins A, D, E, C, omega 3 and omega 6 fatty acids in the mother's blood, milk and newborn's blood. Distribution of substances among these biological fluids will be evaluated. The study will provide very important data in the field of nutrition of premature babies.

Experimental study of morphology formation for polymers and polymer films

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Juraj Kosek

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This PhD project will focus on the morphology evolution in selected polymeric systems: (i) semi-crystalline polyolefins including high-impact polypropylene, (ii) films formed from polymer latexeses. Morphology of polymers predetermines their application (i.e., mechanical, optical and transport) properties. The goal of this project is the experimentally-based analysis of the detailed mechanism of morphology formation by using of numerous visualization techniques (AFM, SEM/TEM, micro-CT, confocal Raman, SAXS, DSC, TD-NMR, ...). One of difficult tasks is the morphology visualization of semi-crystalline polyolefins (lamellae ~ 10 nm) organized into super-structures (~ 100 až 1000 nm). The difficulty of this task is given by sometimes ambiguous interpretation of various visualization techniques and by not yet well-developed methodology of morphology descriptors. The new problematics will be the formation of films from polymer latexes by processes of: (i) evaporation, concentration and ordering of colloid particles, (ii) particle deformation, (iii) difusion of polymer chains. The goal is the morphology characterization in various stages between the original latex and the final compact film. Polymer morphology is the consequence of various processes driven by phase-separation thermodynamics including crystallization, by the kinetics of crystallization, by diffusion and osmotic processes, by interactions involving capillary effects and surface tension, and by electrostatic and van der Waals interactions. Consequences of these and further morphology-forming processes can be correctly interpreted only by both theoretically and practically prepared PhD student. The results of this challenging PhD project will be not only high-quality papers, but also expert in many fields of polymer and material engineering. Experiences gained during this project will be broadly applicable also for other polymers, metail and wood materials, biology systems, ceramics, food and personal care products etc. Info: phone +420 220 44 3296, room B-145, e-mail jkk@vscht.cz, web http://kosekgroup.cz

Exploration of the Fe-W-O system for magnetism and photo(electro) chemistry

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology

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The aim of this study is to capitalize on the richness of the crystalline, magnetic and electronic structures and photocatalytic properties of W-based oxides by investigating the Fe-W-O system. It is proposed to focus on Fe2WO6 as it crystallizes in three different structures exhibiting different transport and magnetic properties. It is of interest to study the thermodynamic conditions in this area of the ternary diagram Fe-W-O to monitor and optimize precise composition and synthesis conditions. Structures and microstructures will be studied by suitable diffraction methods and microscopies. Compounds will be characterized by measuring their magnetic and electrical properties; those with suitable bandgap will also be tested for photocatalytic or photoelectrochemical properties relevant to catalytic degradation of organic pollutants, water splitting or photovoltaic cells.

Fermentation production of bio-hydrogen using clostridia

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie
Theses supervisor: prof. Dr. Ing. Petra Patáková

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Hydrogen offers various uses, in direct combustion without the formation of CO2, as a reducing agent for chemical reactions or as one of the precursors of methane production. The work will focus on the study of hydrogen production in Clostridial fermentation using both pure cultures and consortia of microorganisms. The outputs of the work will be directed both to basic research (study of hydrogenases and finding the exact mechanism of hydrogen production in Clostridium beijerinckii) and to the application sphere (utilization of various types of waste for hydrogen production and other metabolites, which will then be led to the biogas plant and used to strengthen methanation ). The work assumes routine mastery of various techniques, such as bioreactor cultivation, analysis of gaseous and liquid metabolites, study of gene transcription using RT-qPCR techniques, microscopy and others.

Fish identification: molecular-biological and proteomic approaches

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology

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Food market is still broadened with new products from different producers and suppliers, which increases the diversity of consumers' menus on one hand, but therewithal it creates conditions for food fraud on the other hand. Food fraud may be associated also with health hazards for consumers. The consumers´ misleading can be done e.g. by replacing more expensive raw materials with cheaper ones, failing in complying the declared composition or by deliberately mislabelling the geographical origin or the production method. One category of often-falsified food are fish, fish products and seafood, which are also associated with the occurrence of significant allergens. The work aims to develop and experimentally verify methodologies for the identification of fish using DNA and protein analysis. Molecular-biological methods should allow such species determination within the class of Actinopterygii, and will comprise modern methods such as polymerase chain reaction (PCR, qPCR, and dPCR) and sequencing. The target gene to be analysed is the gene encoding the main fish allergen, parvalbumin. The proteins analysis will be aimed at comparing proteins profiles obtained by mass spectrometry MALDI-TOF.

Fluid separations in the modern era challenges

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: doc.Ing. František Rejl, Ph.D.

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Fluid separation processes are widely used and time proven large-capacity separation processes (eg absorption, extraction, distillation). Many new technologies (electric cars, new light sources, geothermal energy sources, etc.) are currently gaining market share and corresponding need for recycling and waste management leads to the necessity of the development of the new high capacity separation technologies. The work should lead to the development/refinement of the selected separation technology in cooperation with an industrial partner.

Food safety - contamination from food contact materials

Department: Department of Food Preservation, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Aleš Rajchl, Ph.D.

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The study will be focussed on identification a quantification of selected contaminants in food contact materials and on quantification of the level of their migration into food. The work will include the development of suitable analytical procedure for contaminant determination and safety assessment related to present contaminants.

Formation of Micro and Nanostructured Heat Insulation Materials

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Juraj Kosek

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The aim of this project is the optimization of insulation properties of available materials and the development of a new generation of insulation materials based on experimental and theoretical knowledge about formation of micro- and nanostructured materials. These materials would dramatically lower the energy consumption for heating and conditioning of buildings. Micro- and nanostructured materials can be prepared in different ways. The Ph.D. student will focus mainly on the following preparation methods: (i) laser and (ii) pressure induced foaming, and (iii) thermally induced phase separation. The laser induced foaming is a novel method, which enables to observe early stages of formation of micro- and nanostructured materials. The knowledge about the formation of these materials is insufficient and therefore micro- and nanostructured material with several-fold improved heat insulation properties are not still mass produced. Pressure induced foaming enables to optimize current materials and it uses supercritical CO2 instead of common organic blowing agents. The method of thermally induced phase separation enables to prepare different structure of micro- and nanostructured materials. This opens new application possibilities for micro- and nanostructured materials. Ph.D. student will be supported by well-equipped laboratories for structural analysis of materials (optical microscope, micro-CT, SEM, AFM, Hg porosimeter, He pycnometer, BET, confocal Raman) including devices to study sorption, transport and heat insulation properties. The student will cooperate with the Institute of Chemical Process Fundamentals of the Czech Academy of Science and New Technologies Research Centre – University of West Bohemia, and will be sent for a research stay into one of our European cooperation centres. This work is supported with grants and industrial cooperations. Info: phone 220 44 3296, office B-145, e-mailjkk@vscht.cz, web http://kosekgroup.cz

Formation of Microstructured Materials through Self-Assembly

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: RNDr. Ivan Řehoř, Ph.D.

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Self-assembly is a spontaneous arrangement of individual units - building blocks - into an ordered structure. The ordered structure has the lowest energy from all accessible building block arrangements, which drives the assembly process. The arrangement of the ordered structure is defined by the properties of the building blocks, such as their shape, material anisotropy or magnetic interaction with external field. Tailoring these properties to achieve desired structure can be considered 'programming' and may represent viable alternative to other ways of constructing micro and nanostructured materials. The question of lengthscales is crucial in self-assembly. When building blocks are small enough (We recently demonstrated, that we can assemble anisotropic hydrogel microparticles on solid liquid interface to form ordered 2D structures. We introduced novel mechanisms to control orientation of the building blocks during the self-assembly process and, thus, to not freeze in the disorderedd state. Ordered microparticles can be subsequently covalently bound together. The resulting structure - sheet - has complex mechanical properties i.e. ability to buckle in a preprogrammed way determined by the shape, size and material composition of the building blocks. The goal of the project is to find new approaches to the self-assembly of hydrogel microparticles and combine them with directed asembly methods using mobile microrobots developed in our team (https://www.youtube.com/watch?v=PQOXS7f9rDg). Resulting structures will find application in the preparation of metamaterials, microrobotics or tissue engineering.

Formation of microparticles from natural extracts using supercritical CO2

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Marie Sajfrtová, Ph.D.

Annotation

Natural extracts are marketed in the form of liquid, viscous preparations or as powders resulting from the drying of the liquid extract. Formation of powdered extracts helps to decrease the storage costs and increase the concentration and stability of active substances. However, conventional drying methods (spray drying, lyophilization etc.) have several disadvantages, such as the degradation of the product, contamination with organic solvents, and the production of large sized particles. More gentle technic for precipitation and particle formation is a supercritical antisolvent process (SAS). In the SAS process, a liquid solution of a solvent and a bioactive substance is injected into a supercritical fluid, which acts as antisolvent. This leads to supersaturation of the solute, which is compensated by nucleation and particle growth. The aim of the thesis is to evaluate the effects of pressure, temperature, solute concentration etc., on the properties of the particles produced by SAS from particular plant extract. Requirements:
• University degree in food chemistry and technology, natural substances, chemical engineering or organic technology.
• Positive and systematic approach to work duties, motivated, reliable.

Formation of microparticles from natural extracts using supercritical CO2

Department: Department of Organic Technology, Faculty of Chemical Technology
Theses supervisor: Ing. Marie Sajfrtová, Ph.D.

Annotation

Natural extracts are marketed in the form of liquid, viscous preparations or as powders resulting from the drying of the liquid extract. Formation of powdered extracts helps to decrease the storage costs and increase the concentration and stability of active substances. However, conventional drying methods (spray drying, lyophilization etc.) have several disadvantages, such as the degradation of the product, contamination with organic solvents, and the production of large sized particles. More gentle technic for precipitation and particle formation is a supercritical antisolvent process (SAS). In the SAS process, a liquid solution of a solvent and a bioactive substance is injected into a supercritical fluid, which acts as antisolvent. This leads to supersaturation of the solute, which is compensated by nucleation and particle growth. The aim of the thesis is to evaluate the effects of pressure, temperature, solute concentration etc., on the properties of the particles produced by SAS from particular plant extract. Requirements:
• University degree in food chemistry and technology, natural substances, chemical engineering or organic technology.
• Positive and systematic approach to work duties, motivated, reliable.

Formulation and bioavailability of natural poly-actives

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Current paradigm in pharmaceutical drug development and its regulatory environment is based on the concept of Active Pharmaceutical Ingredient (API) as a well-defined single molecular entity that is contained in the dosage form at a precise quantity and chemical purity. Although rational in many ways, this approach is rather different from evolution-proof substances found in Nature. The main drawback is single-API medicines is the development of drug resistance over historically extremely short time periods (only a few decades), which is problematic not only in the area of antibiotics but also in cancer treatment, anti-fungal and various anti-parasitic drugs that gradually lose their effectiveness. In contrast, there are examples of natural systems that maintain their efficacy for many millennia. Perhaps the most prominent example of such material is bee propolis. Chemically, propolis is a mixture of several hundred chemical species with location- and season-dependent composition, which would completely disqualify it as a registered medicinal substance. However, it is exactly this variable multi-component character that makes is so robust and durable, not giving pathogens a chance to develop resistance. Propolis contains both water-soluble and water-insoluble components and is typically applied as ethanol dispersion only for surface treatment. The aim of this project is to explore formulation approaches that could enable oral administration of propolis and ensure its safety and bioavailability. The project is multidisciplinary and will include not only formulation and analytical work, but also in vitro and in vivo testing of biological efficacy.

Fullerene complexation using higher calixarenes/thiacalixarenes

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: prof. Ing. Pavel Lhoták, CSc.

Annotation

The aim of this work is the design and synthesis of higher calixarenes (calix[5]arene and higher) that could be applied as receptors for the fullerene recognition. The aim of this work is to achieve selective complexation of C60 or C70 using suitably chemically modified calixarene skeletons and concave/convex principle of the interactions. Novel compounds will be used as receptors for the complexation of fullerenes and as the building blocks for construction of supramolecular self-assembly systems.

Functional,- structural characterization of the NMDA receptor channel

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie
Theses supervisor: doc. Dr. Ing. Michaela Rumlová

Annotation

N-methyl-D-aspartate (NMDA) receptors are a type of ionotropic glutamate receptors mediating fast synaptic transmission and are essential for learning and memory. Abnormal function of NMDA receptors underlies many neurological and psychiatric diseases, including schizophrenia and neurodegenerative disorders. We use advanced electrophysiology, molecular biology, optogenetics, and microscopy to investigate the relationship between the structure and the function of NMDA receptor ion channels, to characterize molecular mechanisms of action of different pharmacological agents influencing them, and to study the physiological and pathological processes in which NMDA receptors participate. The aim of the PhD project is to characterize functional consequences of de-novo and other mutations found in individuals diagnosed with schizophrenia, mental retardation, autism, or epilepsy for the function of the NMDA receptor and to rectify impaired function by newly synthetized steroid compounds. Disease-associated mutations will be studied in recombinant NMDA receptors expressed in HEK cells and native receptors in cultured hippocampal neurons derived from GMO mice. The project will include the characterization of consequences of mutations for synaptic transmission and behavior, both under normal conditions and in mouse and zebrafish models of neurological and psychiatric disorders. Cultured hippocampal neuron; negative and positive allosteric effect of neurosteroids; structure of NMDA receptor.

Galvanic electrocatalytic layers in water alkali electrolysis

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: Ing. Jaromír Hnát, Ph.D.

Annotation

The aim of this project is development of an efficient electrocatlyst for cathodic hydrogen evolution reaction (HER) in an alkaline environement based on galvanic modification of the Ni substrate. After identification of the optimal coatings properties and deposition method the techniques will be transferred to the 3D porous electrodes to enhance process efficiency and tested in a laboratory and pilot scale alkaline water electrolysis cell.

Gas - Liquid Mass Transfer. Experimental comparison of various apparatuses performance.

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Tomáš Moucha

Annotation

The volumetric mass transfer coefficient (kLa) plays a crucial role in industrial design in the case of the process controlled by gas–liquid mass transfer. Prediction of kLa is nowadays mostly based on literature correlations. Our research goal is to establish suitable kLa correlations for different types of devices that would be based on the experimental dataset. The PhD thesis aim at the comparison of various gas-liquid contactor types from the viewpoint of their mass transfer efficiency. The suitable correlations will be developed that would be viable for mechanically agitated gas–liquid contactors and also for pneumatically agitated gas–liquid contactors such as airlift reactor.

Gas and liquid transport study in graphene oxide and carbon nanotubes based membranes

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)
Theses supervisor: doc. Ing. Karel Friess, Ph.D.

Annotation

Membrane separation processes (MSP) belong to the modern technologically significant separation methods. Furthermore, MSP are less economical demanding and more eco-friendly industrial processes compared to the conventional separation techniques used in chemical, petrochemical, pharmaceutical and food industries. The most significant industrial applications of MSP for gas separation are focused on separation of helium from natural gas, separation of hydrogen from hydrocarbons, carbon monoxide or nitrogen and also for removing carbon dioxide from biogas or organic vapors from air. Generally, graphene oxide (GO) based membrane materials belong to the modern and dynamically growing group of materials that have many interesting properties. Especially, this work will be targeted on GO based separation of hydrogen from carbon dioxide. Besides, the separation effect of prepared membranes will be tested for the selective removal of organic contaminants from the water. Our laboratory is focused on the topic of membrane separation for more than 15 years. Currently, we participate in two grant projects of the GA CR aimed at increasing the efficiency of membrane separation processes. This doctoral thesis is thematically linked to these projects.

Genetic recombination and reproductive isolation on Mus musculus model

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programmes: Bioinformatika, Bioinformatics

Annotation

The aim of the proposed dissertation project is to elucidate the epistatic interaction of the PRDM9 histone methyltransferase gene with the X-linked Hstx2 genetic factor in meiotic recombination and male infertility of intersubspecific hybrids. Our laboratory identified the Prdm9 as the first gene in vertebrates engaged in reproductive isolation between species. PRDM9 protein predetermines the meiotic recombination hotspots within species to ensure meiotic cross-overs, chromosome pairing and differentiation of germ cells, but in intersubspecific hybrids the same gene product causes meiotic arrest and hybrid sterility due to persistence of DNA double-strand breaks, recombination failure and subsequent failure of chromosome pairing. The process is modulated by the Hstx2 genetic factor, localized in a 2.7 Mb interval on the chromosome X. The main task of the project is to identify the genomic sequence responsible for the Hstx2 effect using a panel of bioinformatics tools for mRNA expression profiling using next generation RNA sequencing (RNA-seq), for chromatin immunoprecipitation sequencing (ChIP-seq) and for quantitative trait loci (QTL) mapping.

Genome-wide mapping of loci forming genotoxic intermediates associated with collisions between replication and transcription complexes

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programmes: Bioinformatika, Bioinformatics
Theses supervisor: RNDr. Jana Dobrovolná, Ph.D.

Annotation

Recent studies have shown that in human precancerous lesions, activated oncogenes induce stalling and collapse of replication forks, leading to genomic instability, a driving force of cancer. The proposed project addresses the hypothesis that oncogene-induced replication stress arises from interference between transcription and replication, which is associated with the formation of genotoxic RNA:DNA hybrids, referred to as R-loops. The project has the following objectives: (i) to identify on genome-wide scale the loci that are prone to R-loop formation under conditions of oncogene-induced replication stress; (ii) to determine basic charateristics of these loci; (iii) to assess whether oncogene activation is associated with R-loop formation at common fragile sites that are preferred target of oncogene-induced replication stress; (iv) to dermine whether R-loop forming loci overlap with the breakpoints of chromosomal rearangements found in cancers.

Glazes with controlled reflectance

Department: Department of Glass and Ceramics, Faculty of Chemical Technology

Annotation

Ceramic materials are surface-treated by applying different types of coatings, the most common surface finishing of ceramic products are glazes- stable glassy coatings. By using suitable additives / pigments in glazes, the final properties of a ceramic product, such as roofing tilles, can be adjusted. The dissertation will focus on the preparation of glazing with controlled reflection of "cool roof" systems.

Green, greener, greenest: thermodynamic properties of aqueous solutions of bio-based ionic liquids

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Magdalena Bendová, Ph.D.

Annotation

The aim of this project is to gain a better understanding of the structure-property relationships in aqueous mixtures of choline-based ionic liquids (ILs) with various anions. Thermophysical and thermodynamic characterization of new ILs and their aqueous mixtures will be performed. Ionic liquids in general show a pronounced application potential e.g. in energy storage or separation processes. Furthermore, the relation between their structure and properties remains to a large extent unclarified, due to a very large number of structures that could be synthesized. Understanding these relationships in bio-based ionic liquids are particularly interesting in this regard. Water as one of the most ubiquitous and possibly greenest solvent is then a substance of choice when it comes to understanding the properties of mixtures. Required education and skills
• Master degree in physical chemistry, organic technology, chemical physics, chemical engineering;
• willingness to do experimental work and learn new things;
• team work ability.

Growing Single Crystals and Structure Analysis of Multiple Component Crystals

Department: Department of Solid State Chemistry, Faculty of Chemical Technology
Theses supervisor: Ing. Jan Čejka, Ph.D.

Annotation

API's multiple-component crystals are a valuable option in modfying pharmacokinetic profile, stability of API etc. The application properties of any particular active compound are often rendered by means of the component is built in the structure. This work aims to prepare single crystals of salts, solvates, co-crystals and polymorphs of selected compounds, study potentional temperature dependent phase transitions, their complex characterization using a bundle of analytical methods accenting X-ray structure analysis and consequent correlation of parameters and solvent occupied voids.

Heavy metals removal from flue gas produced during combustion of coal

Department: Department of Gaseous and Solid Fuels and Air protection, Faculty of Environmental Technology
Study programme: Energie a paliva
Theses supervisor: doc. Ing. Karel Ciahotný, CSc.

Annotation

The work is focused on testing of adsorbents suitable to the mercury removal from the flue gases produced by the brown coal combustion. The goal is to find the optimal adsorbents to allow effective removal of mercury from power plant flue gases produced by combustion of the Czech Brown, to estimate their adsorption capacities for mercury under the conditions of power plant flue gas adsorption (high temperature and high humidity) and the possibility of the eventual regeneration of saturated adsorbents. The work is part of the grant project TACR.

Heterogeneity of expression of effectors of Salmonella pathogenicity island 2?encoded type 3 secretion system

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programmes: Mikrobiologie, Microbiology
Theses supervisor: RNDr. Ondřej Černý, Ph.D.

Heterogeneous catalysis on self-assembled organic semiconductors

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemistry, Chemie
Theses supervisor: Ing. Petr Kovaříček, Ph.D.

Annotation

Catalysis enable production of multitude of daily use products by lowering the energy barrier towards the formation of the desired product. In a particular subfield of catalysis on semiconductors, light as the cleanest energy source is converted into individual charge carriers, which then consequently trigger the catalytic transformation. The aim of this work is achieve photocatalysis on self-assembled organic semiconductors. Designing de novo a catalyst is a tedious task which tackles the challenges in order as they appear during the development process. Instead, in this work, the principles of combinatorial/dynamic chemistry and guided evolution of complex systems will be exploited to let the systems solve these issues on its own by several self-processes (assembly, sorting, organization). The performance of the developed systems will be tested on a few selected model reactions and potential leading structures will be a subject of dedicated studies.

High resolution spectroscopy in the THz and MW regions

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

High resolution spectroscopy in the THz region

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

High-entropy alloys prepared by powder metallurgy techniques

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: Ing. Filip Průša, Ph.D.

Annotation

Since the year 2004, the materials research gained a new way of focusing on special alloys made initially of five elements with equiatomic compositions. The newly discovered group of materials has been since then known as high-entropy alloys (HEA) due to a high entropy of mixing which allows creating predominantly solid solutions instead of intermetallic phases. These materials are known to be exhibiting a variety of excellent properties that often combine high strengths while maintaining good ductility, good corrosion resistance and others.
The work will aim at the description of the microstructure-related properties of high-entropy alloys prepared by powder metallurgy techniques combining mechanical alloying and compaction via spark plasma sintering.

High-throughput development and continuous manufacturing of SMEDD systems

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Self micro-emulsifying drug delivery systems (SMEDDS) are formulations that spontaneously form a mini- or micro-emulsion upon contact with water. They typically contain the active pharmaceutical ingredient (API), a mixture of oils or low-melting lipids in which the API is soluble, and one or more surfactants and co-surfactants. SMEDDS are complex ternary or higher-order mixtures whose phase behaviour and properties are notoriously difficult to predict at present. Therefore, the development of SMEDDS is to a large extent an empirical process. Due to a large number of formulation components and their possible ratios, it is rarely possible to completely cover the entire design space, which may lead to sub-optimum formulations or even a false rejection of a particular API as non-formulatable. The aim of this project is to construct a device and develop a methodology for automatic combinatorial screening of SMEDDS formulations and their continuous manufacturing based on the so-called liquid marbles. The project will build on a recently developed patented device called “Marblemat” and extend its capabilities towards combinatorial mixing of formulation components and serial production of liquid marbles with systematically varying composition. Simultaneously, capability for high-throughput testing of the formulation properties such as mechanical strength, temperature stability and dissolution properties will be implemented and demonstrated on several industry-relevant APIs.

Hybrid nanosctructured lithium - ion batteries

Department: Department of Physics and Measurement, Faculty of Chemical Engineering
Theses supervisor: RNDr. Pavel Galář, Ph.D.

Annotation

Current rapid developments in wearable electronics, production of electric energy from renewable sources, electric vehicles and other applications emphasizes increasing demands on the energy storage. While the standard lithium-ion batteries (LIB) seem to reach their maximum, new structural solutions are needed. As one of the most promising anode material for LIB technology is considered to be silicon. Silicon based anode has potential to increase storage capacity of the batteries about ten times in contrast to commonly used graphite. Unfortunately the silicon expands its volume by more than 300% during lithium charging that cause significant structural fractures and thus limits application of bulk silicon in LIB technology. The goal of this work is to study the applicability of nanostructured silicon as a part of LIB anodes and advanced flexible organic materials as electrode scaffold materials that would be electrochemically stable, highly conductive and strong and elastic enough to withstand the nanocrystal expansion.

Hydratation and adsorption properties of waste aluminosilicates in water management

Department: Department of Solid State Chemistry, Faculty of Chemical Technology

Annotation

Aluminosilicates, together with e.g. powdered building waste, biochar, lignin are able to adsorb and keep a large amount of water compare to soils and sediments. The mixing of these materials with selected soils in controlled dosages can support water retention in soils, which is significant due to more and more often "dry periods" and generally lower precipitation. A controlled dosage of the material with high water retention to soil ecosystems can improve markedly a water regime and hydrological cycle.

Hydrogels and their nanocomposites

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Jaroslav Tihon, CSc.

Annotation

Hydrogels are cross-linked polymers containing a large amount of water. They can be used, for instance, in medicine (contact lens, wound dressing materials, tissue engineering), and in vaste water treatment (they exhibit high adsorption ability for organic dyes). When suitable nanoparticles (mostly anorganic) are incorporated into a hydrogel structure, hydrogel nanocomposites are formed. They often exhibit even better physicaly-chemical properties than original hydrogels – typically their rigidity increases, and water swelling, pollutants adsorption or drug releasing ability changes. In this project, the preparation of novel hydrogel nanocomposites, their physicaly-chemical properties and potential using in the field of medicine and environmental engineering will be studied. The candidate should have a M.Sc. degree in chemical engineering, physical chemistry, or in a similar applied science field. Some experimental skill is appreciated. However, the enthusiasm for scientific work is only the principal requirement.

Hydrogels based on poly(vinyl alcohol)

Department: Department of Solid State Engineering, Faculty of Chemical Technology

Annotation

This work deals with the preparation and characterization of hydrogels films based on PVA. Hydrogels will be modificated physically (plasma, laser radiation) or/and chemically (doping with nanoparticles, drugs, dyes, etc.). Changes in surface and mechanical properties depending on the modification will be studied. The antibacterial properties and cytocompatibility of the prepared hydrogels will be determined.

Hydrogenation of aldol condensation products

Department: Department of Petroleum Technology and Alternative Fuels, Faculty of Environmental Technology
Study programme: Energie a paliva

Annotation

The thesis will deal with hydrogenation of products obtained by aldol condensation of e.g. furfural with acetone or cyclohexanone. These products are highly functionalized which makes their selective conversion into components of aviation biofuels or bio-monomers highly challenging. The key aspect is the development of a stable and selective bifunctional catalyst that will allow obtaining high yields of desired hydrocarbons or diols. Main attention will be focused on synthesis, characterization and testing of catalysts with the aim to describe the relationship between catalyst’s composition and properties, on the one hand, and its activity and selectivity, on the other hand, and facilitate thus rational design of an optimum catalytic system.

Hydrogenolysis of polyols over heterogeneous Cu catalysts

Department: Department of Petroleum Technology and Alternative Fuels, Faculty of Environmental Technology
Study programme: Energie a paliva

Hygroscopicity of aerosol particles

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Theses supervisor: Ing. Vladimír Ždímal, Dr.

Annotation

Hygroscopicity of aerosol particles is their ability to bind air humidity. This changes their shape, size and phase behavior. Hygroscopicity affects the ability of particles to become cloud condensation nuclei, their optical properties, global climate change, and human health. The aim of the project is to study hygroscopicity of aerosol particles in the laboratory and in the atmosphere. In the laboratory, aerosol particles composed of substances commonly found in atmospheric aerosols will be generated and their hygroscopicity studied using HTDMA spectrometer. At the National Atmospheric Observatory Kosetice, atmospheric aerosol will be sampled using spectrometers HTDMA, SMPS, APS and AMS. Moreover, samples on filters and impactors will be analyzed in the laboratory. Experimental results will be compared with model predictions.

Identification of new psychoplastogenic compounds through structure-activity relationship studies as potential neurochemical tools for investigating human cognition

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Martin Kuchař, Ph.D.

Annotation

Objectives of this research project are to discover and synthetize novel chemical compounds with potential psychoplastogenic properties to be used as tools for neuroimaging studies elucidating their underlying neurobiological mechanisms. Using structure-activity relationship investigations of already known and described psychoactive compounds primarily of the tryptamine and phenethylamine classes, this project aims to design and develop synthetic routes for their new analogues and to identify suitable substances for pharmacological and neurobiological investigations. Their biological activity will be tested within international collaboration for their interaction with monoamine receptors and transporters, cytotoxicity, and effects on growth of neuronal cells (by monitoring the BDNF factor). Selected compounds will be subjected to preclinical studies in animal models, especially with the use of behavioral tests and imaging methods such as EEG, fMRI and in the case of isotopically labeled substances also with PET.

Impact of antibiotic resistance on the propagation of Gram-negative bacteria in the food chain

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie
Theses supervisor: Ing. Sabina Purkrtová, Ph.D.

Annotation

The increasing incidence of antibiotic resistance in bacteria is one of the major problems of the 21st century, as it limits the range of suitable antibiotics for treating bacterial infections. The food chain is one of the places, where it happens the genesis of new antibiotics resistance determinants and/or their spreading (so-called hot spots). Selected groups of gram-negative bacteria (family Enterobacteriaceae, the genera Acinetobacter and Pseudomonas, etc.) form the very significant or the most numerous parts of bacteriome in many food products. At the same time, these bacterial groups are frequent carriers and spreaders of antibiotic resistance genes (e.g. by various mechanisms of horizontal gene transfer). However, the presence of antibiotic resistance genes, often linked to various mobile genetic elements, can not only bring benefits to their carriers, but in some cases can have a negative effect on their certain physiological and other properties (eg growth ability). Knowledge of the influence of the presence of antibiotic resistance genes on properties important for the spread of bacteria in the food chain (e.g. biofilm formation, growth ability, resistance to environmental stress conditions, etc.) is then important for determining the potential for their spread in the food chain and for developing methods to reduce it. The aim of the work will be to study and compare the isolates of the above groups of gram-negative bacteria isolated from food products with different antibiotic resistance profiles. The selection of important antibiotic resistance genes occurring in food isolates of the above groups of gram-negative bacteria will be performed. Furthermore, the occurrence of these antibiotic resistance genes in selected food products will be determined. It will be performed the isolation and quantification of target bacterial groups, genotypic and phenotypic characterization of the obtained isolates and comparison of the occurrence frequency of different genotypes and phenotypes. Modern methodological approaches such as next generation sequencing methods (e.g. nanopore sequencing), qPCR, MALDI-TOF MS and selected classical cultivation microbiological methods will be used for the study.

Impact of the magnetism on the thermoelectric properties of oxides and sulfides

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology

Annotation

Thermopower can be very sensitive to spins and magnetism, and its enhancement has already been observed in oxides, as exemplified in NaxCoO2 or in misfit cobaltites. Recently, the impact of magnetism has been evidenced in ferromagnetic and metallic CoS2 with an extra contribution to thermopower measured in the. In the insulating thiospinel CuCrTiS4, the transport properties are actually very similar to magnetoresistant oxides, with variable range hopping transport associated to a large negative magnetoresistance and magnetothermopower. The aim of this project is to investigate the influence of magnetism on the thermoelectric properties of these sulfides presenting different ground states, to tune and optimize this enhancement of thermopower. A detailed investigation of the thermal properties will also be realized.

Influence of Corrosion Products on Hydrogen Absorption to High Strength Steel

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: Ing. Tomáš Prošek, Ph.D.

Annotation

This project originates from industrial projects on hydrogen embrittlement (HE) of high strength steels, which are especially prone to hydrogen(H)-induced degradation. Since the development of these advanced steel grades with a huge potential of material and energy savings in many fields of human activity, the number of industry-funded studies on HE has been rising significantly. However, their practical focus does not allow for studying underlying mechanisms, although they are crucial for future development of products with improved application properties. This work aims at fundamental understanding of atmospheric corrosion as source for H insertion into iron, the principal element of all steel grades, as well as into selected steel grades. The role of corrosion products (CPs) in the H insertion during atmospheric corrosion will be clarified: How do composition and structure of CPs affect corrosion processes in view of H adsorption and absorption by e.g. reactions that involve a change of pH or a ratio between H reduction and other depolarization reactions? Which atmospheric conditions trigger these reactions? What is the mechanism of atomic H formation and entry?

Influence of composite particle structure for targeted drug delivery

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Viola Tokárová, Ph.D.

Annotation

The encapsulation of active substances in microscopic carriers finds its practical application in the food industry, cosmetics and pharmacy. The active substance is thus protected from the environment and can be delivered to the target site of action (eg: damaged tissue, tumour cells). The aim of this work is to prepare particles with diverse architecture and topography (eg: core-shell, particles with microtopography, fibrous structure) and to investigate the influence of particle architecture on release kinetics of encapsulated active ingredient. Methods of spray drying, encapsulation and microfluidics will be used for the preparation of composite particle systems in this work. The active ingredient will be selected with respect to the biomedical application.

Influence of hydrogen in natural gas on the gas infrastructure

Department: Department of Gaseous and Solid Fuels and Air protection, Faculty of Environmental Technology
Study programme: Energie a paliva

Annotation

The thesis is focused on the study of different hydrogen content in natural gas and its influence on the gas infrastructure. At present, hydrogen is intended to be added to natural gas either as a pure gas or for example as a part of the gas produced by the catalytic hydrogenation of carbon dioxide. The issue of adding hydrogen to natural gas involves, in particular, mixing of hydrogen with natural gas in the pipeline system, influence on the calorific value and combustion properties, influence on the measuring and analytical systems, sealing systems, influence on natural gas compression at compressor stations, reduction of transport capacity, reduction of methane number or limiting factors during the storage of hydrogen - natural gas mixtures.

Influence of radiolysis and bacterial extremophiles on lifetime of canister for radioactive waste repository

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Jan Stoulil, Ph.D.

Annotation

The work will be focused on the influence of bentonite pore solution radiolysis by gamma radiation on the oxidation ability, stability and semiconductive properties of passive layer on the 316L stainless steel. In addition will be studied the possibility of the formation of sulphate-reducing bacteria biofilm and the effect of metabolites on the susceptibility to pitting and stress corrosion cracking.

Innovation for the Environmental and Economic Sustainability of Mobility

Department: Department of Environmental Chemistry, Faculty of Environmental Technology

Annotation

Environmental investment projects are often perceived as regulatory investments and as such are assessed by methods that do not take into account economic efficiency, although this should be the case - regardless of the value of the output. The dissertation analyzes the currently used methods, defines their shortcomings in the use of various types of investment projects and based on systematization and quantitative research proposes methods adapted to individual types of investments that will identify specific aspects that affect the evaluated project and include them in project evaluation.

Innovation of foods based on lactic acid fermented vegetables and fruits

Department: Department of Food Preservation, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Aleš Rajchl, Ph.D.

Annotation

Lactic acid fermented foods are known for centuries. Thanks to its long sustainability, increased nutritional value, required sensory properties and also unpretentious and cheap preparation have become very popular worldwide. This work is focused on the preparation of lactic acid fermented vegetable and fruit products and on the possibilities to enlarge the range of these products. Specifically, a fermentability of individual types of vegetables or fruits, including its mixtures, will be determined with respect to sensory properties of the final products. The effect of addition of probiotic and starter cultures will be estimated according to selected qualitative properties of the products. During fermentation processes characteristic changes will be monitored through the chemical, microbiological and sensory parameters.

Innovative strategies for food fraud detection

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology

Annotation

The doctoral thesis realized within the international project will focus on the use of modern instrumental methods, especially high-resolution mass spectrometry, for the analysis of food raw materials, foods and food supplements. To recognize a fraud / verify authenticity of investigated samples, a strategy of comparing measured ‘fingerprints´ and profiles of selected biomarkers with records in a database constructed on the basis of fully characterized, authentic samples, will be employed. Advanced multi-dimensional chemometric strategies will be used for data processing. The project will also assess the potential health risks to consumers related to fraud.

Inorganic carriers of active pharmaceutical ingredients

Department: Department of Solid State Chemistry, Faculty of Chemical Technology

Annotation

The work is focused on development of new solid dosage forms. Release of active pharmaceutical ingredient and its stability against degradation can be considerably affected after its incorporation into a carrier. Inorganic compounds with layered structure, namely the layered double hydroxides suitable for intercalation of negatively charged anionic species, will be used as the host structures. Methods for preparation of intercalates, interactions between the host structure and drugs intercalated in interlayer, stability of intercalated drugs, and their back release in simulated body fluids will be studied.

Inorganic fillers and sorbents

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Petra Ecorchard, Ph.D.

Annotation

Within the projects we studied various types of fillers for polymer matrix, based on graphene and its derivatives and on double layered hydroxides in combination with ionic liquids. During the dissertation, the focus would be given on the development of individual types of 2D materials with specific properties, e.g., conductivity, mechanical, catalytic, photocatalytic. Inorganic fillers will be modified with suitable ionic liquids, which may have multiple functions and will be chosen accordingly to the subsequent use. Modification will be possible with commercially available ionic liquids or newly prepared ionic liquids. These materials are often good sorbents, for this reason these properties will be also studied for sorption of heavy metals or organic contaminants.

Inorganic graphene analogs - sillicone, germicen and derivatives of them

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programme: Chemistry
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

Annotation

Topic is focus on development o novel inorganic analogues of graphene, study of their reactivity and possibilities of derivatisation. Synthetic methods will focus on development of Zintl phase exfoliation procedures. Materials will be studied for future applications in photocatalysis and electrocatalysis as well as energy storage applications.

Integration of Risk and Uncertainty into Investment Decisions in Selected Industrial Sectors in Relation to Environmental Protection

Department: Department of Environmental Chemistry, Faculty of Environmental Technology

Annotation

The dissertation thesis is focused on the integration of risk and uncertainty into investment decisions in selected sectors of industry in relation to environmental protection. Given the long-term investment, attention must be paid to the long-term effects; the scenario approach is necessary while respecting the specificities of the sector (industry). The aim is to create a normative model that respects scenario approaches, uncertainty in the environment, multi-criteria decision-making processes and sector specificities.

Integration of metabolomics data into metabolic pathways

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programme: Bioinformatika
Theses supervisor: Mgr. Michal Kolář, Ph.D.

Annotation

Metabolomics provides information on metabolite concentrations and is functionally closest to the biological manifestations of the genome and proteome. Although the individual omics follow each other logically, each of these scientific fields is at a different level of knowledge.
The aim is to develop a specific approach by which metabolomic data (metabolite concentrations) will be processed into the format of metabolic pathways (Wikipathways, SMPDB, etc.), and their integration with proteomic and genomic data. Part of the work is understanding the concept of LC-MS metabolomics, annotation of metabolites according to databases, work with metabolite identifiers at various levels of identification (summary formula, exact structure, ...), scripts and applications in Python and R, visualization of pathways from databases and based on own designs.
Using the resulting methodology, omic projects based on clinical studies and animal models will be processed. The work will be carried out at the FGÚ AV ČR, where the metabolomics and proteomics service laboratory is located. The work is financially secured.
Prerequisite for success is knowledge of programming languages for data mining (Python, R), basics of biochemistry (metabolites, pathways, cell compartments) and basics in omic disciplines.

Integration of phenotyping and functional genomic data

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programme: Bioinformatics
Theses supervisor: Ing. Vendula Novosadová, Ph.D.

Annotation

The position of bioinformatician is becoming necessary for every scientific group. Generating large datasets of omic data makes it necessary to develop new computational algorithms using tools such as machine learning and artificial intelligence, which will also allow the processing of diverse unstructured data. Our group is part of the research infrastructure Czech Centre for Phenogenomics, involved in the systematic annotation of the mouse genome within the International Mouse Phenotyping Consortium (IMPC). We produce mouse lines with one gene deactivated. These lines are further characterized by a standard phenotyping pipeline. The data set from each animal tested has over 700 parameters from different fields. These parameters contain numeric, categorical and image data. We are also collecting metabolomic data for selected lines. The Ph.D. project aims to integrate every data generated both in our center and within the whole IMPC. Linking individual parameters and finding correlations and causality between them and their possible semantic analysis will help to better understand the phenotype. At the same time, knowledge of a given gene function will enable mathematical modeling of the phenotype of genes involved in similar or overlapping regulatory networks.

Intelligent materials and surfaces - switching between "ultra" states

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Theses supervisor: Mgr. Oleksiy Lyutakov, Ph.D.

Interaction of glass containing biogenic components with aqueous solutions

Department: Department of Glass and Ceramics, Faculty of Chemical Technology

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In addition to the traditional use of glass as containers or in the building and automotive industries, some glass can be used in medicine, pharmacy or agriculture. The aim of the thesis will be to explore and describe the kinetics of interaction of appropriately selected or prepared soluble phosphorous and phosphosilicate and glass with other biogenic components) with aqueous solutions simulating soil or body environment and to design glass that can be used as slowly soluble fertilizers or bioresorbable materials in medicine.

Interaction of selected tracers with cementitious materials

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Interaction of structural materials with supercritical water

Department: Department of Power Engineering, Faculty of Environmental Technology
Study programme: Energie a paliva
Theses supervisor: doc. Ing. Jan Macák, CSc.

Annotation

The use of supercritical water as working fluid of power cycles is motivated by the need to increase thermal efficiency.
The structural materials are exposed to very severe corrosion conditions in supercritical water. The aim of the work is to prove corrosion behaviour of selected structural materials in supercritical water. Part of the work will be oriented towards the application of novelty methods of surface treatment and development and performance of in-situ tests of corrosion characteristics at slightly subcritical, critical and supercritical conditions.

Interpretation of Raman optical activity of nucleic acids

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemie (double degree)
Theses supervisor: prof. RNDr. Petr Bouř, CSc.

Annotation

Spectroscopy of vibrational Raman optical activity is a new and dynamically evolving analytical method providing important information, such as about biopolymer and enzyme structure. The applications are very dependent on spectral interpretations based on the molecular dynamics and quantum chemical computational methods. For nucleic acids, although experimentally very interesting systems can be approached, including viruses, the relation between the spectrum and the structure is not completely known. A big problem are computer demands required by these complex and big molecules. We will therefore focus on development of experimental and computational methodology for model system, suitable to describe specific nucleic acid properties, such as flexibility and polarity. Modern computational methods will be both used and developed, such as combination of classical and quantum mechanics or testing models of solvent and environment during molecular interactions.

Investigation of Cu-based catalyst in hydrogenolysis of esters

Department: Department of Petroleum Technology and Alternative Fuels, Faculty of Environmental Technology
Study programme: Energie a paliva

Annotation

Hydrogenolysis catalysts are an important class of catalysts that need to be innovated to replace the traditional chromium-containing catalysts. The work will be focused on the synthesis and detailed characterization of Cu-based catalyst including the use of in-situ characterization. The synthesis and characterization data will be combined with the catalytic results of ester hydrogenolysis both in the liquid and gas phases. This will allow elucidating the effects of the local Cu environment on the catalyst activity, selectivity, and stability and provide further insights into the similarities and differences of gas and liquid phase processes.

Investigation of the stability and changes of food products using direct spectral methods

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology
Theses supervisor: prof. Dr. Ing. Jan Poustka

Annotation

The dissertation is focused on the application of selected direct spectral methods such as infrared spectrometry (ATR-FTIR) or mass spectrometry (DART-MS) in order to investigate the stability and changes of food products during storage and conventional culinary treatments. The aim of this work is to develop analytical procedures suitable for their characterization for various materials with a focus on key components such as lipids or carbohydrates so that they can be used to authenticate or differentiate them according to the origin or degree of technological processing.In addition to the applied analytical methods, advanced statistical methods, including multivariate data analysis, will be used for data processing, which allows sorting into characteristic groups.

Investigation of the structure and function of Kingella kingae RtxA cytotoxin

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie
Theses supervisor: Ing. Radim Osička, Ph.D.

Annotation

The secreted cytotoxin RtxA is a key virulence factor of the Gram-negative bacterium Kingella kingae, which is an important invasive pathogen causing septic arthritis, osteomyelitis, infective endocarditis and other diseases in young children. The current state of knowledge indicates that RtxA may play an important role in various steps of K. kingae infection, including colonization of the respiratory epithelium, bloodstream invasion and damage to target tissues. However, the detailed mechanism by which RtxA contributes to the pathogenesis remains largely unknown and its study is the central objective of the proposed doctoral project. Particular emphasis will be placed on the determination of membrane topology of RtxA, on the investigation of molecular mechanisms by which the toxin disturbs tight junction integrity of the respiratory epithelial barrier and on the examination of the effect of K. kingae and RtxA on the innate immune response of the respiratory epithelium. The results are expected to provide new knowledge on the RtxA toxin and on the pathogenesis of invasive K. kingae disease.

Investigation of water electrolysis with proton exchange membrane

Department: Department of Inorganic Technology, Faculty of Chemical Technology

Annotation

Water electrolysis represents an important part of the hydrogen economy considered nowadays as a promising approach to the future securing of the human society with electrical energy. Industrial water electrolysis processes established today suffer from several disadvantages when considering its application in the field of energetics. It is mainly its low efficiency and flexibility. Therefore, this process is a subject of interest of numerous research laboratories around the globe. Electrode reaction kinetics, suitable polymer electrolytes and overall process design represent the main issues studied. Corrosion stability of the individual construction materials is also an issue.

Isolation of novel therapeutics form fungi

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: prof. Ing. Pavel Kotrba, Ph.D.

Annotation

Fungi have been always on the forefront of biotechnological research, be it for antibiotics, food production, various enzymatic mixtures etc. Yet, there is still an untapped potential with regards to therapeutic use against cancer or various psychological disorders, although there are reports of fungi being traditionally used for such purposes. This dissertation project is aimed on the identification and isolation of novel therapeutics from common forest fungi such as Amanita muscaria and testing of the therapeutic potential of the isolated substances in various types of cancer cell lines.

KLa - shear stress coupling to design fermenters better

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Tomáš Moucha

Annotation

In fermentation technologies, mechanically agitated aerated vessels are frequently used. In cases of aerobic fermentations, the Oxygen Uptake Rate - OUR is frequently used as the important design parameter. This means that the gas-liquid mass transfer controlled process is considered and the volumetric mass transfer coefficient - kLa is taken as the most important parameter. The practice shows, however, that the impellers with lower Power number (which means lower turbulence intensity and lower kLa) often ensure higher bioprocess efficiency than those with high Power number (which means higher turbulence intensity and higher kLa). The explanation is brought by the fact that microorganisms/biomass might be damaged by the high turbulence intensity as explained further. The turbulence intensity is proportional to shear stresses occuring in the mechanically agitated fermentation batch. A high shear stress may "cut" the microorganisms, which stop producing their primary product then. The aim of the PhD thesis is to measure the quantities proportional to shear stress values at the process conditions of aerobic fermentations and couple them with the kLa values, which are already at disposal in the Mass Transfer Lab database at UCT Prague. This data coupling will enable to develope the highly efficient industrial fermenters design tool.

Kinetics of catalytic decomposition of N2O on zeolite catalysts

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Dr. Ing. Vlastimil Fíla

Annotation

The topic of this work is the study of kinetics of N2O decomposition on zeolitic (MFI, FER) and titano-silicates catalysts involving Fe and other transition metals. The work will be focused on kinetic experiments in aiming to develop reliable kinetic model suitable for desing of industrial equipment.

Large deformations of ceramic powder compacts and fracture of porous and cellular ceramics

Department: Department of Glass and Ceramics, Faculty of Chemical Technology

Annotation

Large deformations play a significant role in ceramic technology, because all pressing operations rely on the quasi-plastic behavior of powder systems during consolidation. On the other hand, also porous and cellular ceramics, including those produced via additive manufacturing, e.g. 3D printing, exhibit quasi-plastic behavior during compression. This PhD topic combines theory-based analytical modeling and computer-based numerical modeling of large deformations with real-world experiments performed on ceramic materials via different mechanical tests, mainly axial and diametral compression. The student is required to have a solid background knowledge in ceramic science and technology as well as the ability to combine computer modeling with experimental work on real materials from both fine and coarse ceramics.

Laser and heat-induced redox processes for deposition of novel structures for solar-light photocatalysis

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Theses supervisor: RNDr. Radek Fajgar, CSc.

Annotation

There is great ongoing interest in semiconductors including TiO2-based materials due to their potential in solar energy-to-electric conversion (solar cells) and solar energy-to-chemical energy conversion (water splitting and photo-catalyzed degradation of pollutants in atmosphere and water). Much recent attention to improve these materials for efficient solar-light catalysis is documented in the literature. In this project we propose a novel approach to these materials based on redox paths between metal oxides, which are induced by laser excitation and conventional heat treatment. Highly non-equilibrium deposition conditions due to laser excitation are expected to affect the electronic structure and reactivity of potential reactants to form products not observed under ambient conditions.

Layered carbides – novel materials for electronic applications

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programme: Chemistry
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

Annotation

Topic is focused on synthesis of layered carbides (MAX phases) and their exfoliation on MXene. Synthesis and exfoliation procedures will be optimized to reach maximum yield of monolayers. Synthesized materials will be characterized by structural and spectroscopic analytical methods. Materials will be studied for applications in energy storage filed including batteries and supercapacitors.

Layered chalcogenides for energy storage applications

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

Annotation

This thesis is focused on the exploration of layered chalcogenides and their applications in energy storage and electrocatalysis.

Layered double hydroxides as sorbents for biologically active substances

Department: Department of Organic Technology, Faculty of Chemical Technology
Theses supervisor: Ing. Iva Paterová, Ph.D.

Annotation

Double layered hydroxides, also known as hydrotalcite or anionic clays, are an important group of materials with a wide range of applications. They can be applied as catalysts, catalyst precursors or ion exchangers, in sorption and decontamination processes. They can also be used for the intercalation of various substances including drugs. The aim of this work will be to prepare these materials, modify their surface with silanol based compounds and to characterize them by suitable methods. The prepared materials will be used as support materials for the immobilization of selected active substances.

Layered forms of silicon and germanium and their optical properties and applications

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

Annotation

The fast-growing family of layered materials based on silicon and germanium possess unique optical properties which are strongly dependent on their surface functionalization. This work will be focused on chemical modifications of the surface of silicon and germanium layers and the influence of introduced functional groups on their luminescent properties. The optimized materials will be tested for electronic applications with a focus on hybrid LEDs and solar cells. Further, student will investigate a compatibility of synthesized 2D nanomaterials with organic semiconductors for a preparation of the hybrid optoelectronic heterostructures.

Life cycle assessment of logistics

Department: Department of Environmental Chemistry, Faculty of Environmental Technology

Annotation

The environmental aspects of logistics should be one of the criteria taken into account by project planners. The LCA method makes it possible to compare the environmental impacts of different anthropogenic stressors with respect to the entire life cycle of the product, technology or service. Environmental impacts can be assessed globally or locally, but mainly either in general or with a focus on the site. This work will focus on the creation of a methodology for the identification and presentation of environmental aspects of logistics.

Light upconversion nanoparticles for infra red photodynamic therapy of tumors

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: RNDr. Petr Ježek, CSc.

Annotation

For numerous tumor types resistance to long-term monotherapies usually develops. In order to overcome it, we shall develop and photophysically test nanoparticle-based systems for infra red photodynamic therapy. Threrefore, we will study detailes photophysics of nanoparticles, namely luminescence kinetics for upcovversion nanoparticles NaY(Gd)F4:Yb3+(Nd3+)/Er3+(Tm3+), which convert either 980? 650/540 nm or 808?650 nm. All these studies will be conducted in the absence and in the presence of a photosenzitizer in the nanoparticle shell, which creates singlet oxygen upon the desired excitation. The second imaging mode will be enabled for cracking these nanoparticles by NMR or PET. Particle surface engineering will include coating with polymers to achieve the highest energy transfer, immobilization a photosenzitizer to induce optimal singlet oxygen formation, and attachment of addressing peptides to facilitate cell internalization. Chelator for 64Cu or 125I attachment will be also introduced to integrate upconversion luminescence with PET imaging. Singlet oxygen production and pharmacokinetics of the particles on nude mice with xenotransplanted tumors will be also determined. The molecular biology techniques will be conducted by the coworkers of the Department No.75., Inst. Physiology.

Liquid chromatography–mass spectrometry for metabolomics and lipidomics studies

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Tomáš Čajka, Ph.D.

Annotation

Over the last decade, mass spectrometry-based metabolomics and lipidomics have become key disciplines for the comprehensive profiling of polar metabolites and complex lipids in biological systems. Liquid chromatography–mass spectrometry (LC–MS) is the preferred technique in metabolomics and lipidomics permitting effective compound separations and detection. However, there is still a lack of sufficient data on the metabolome and lipidome characterizing biofluids (i.e., plasma, serum, urine) and tissues, which can be easily accessible and reused at any time for future studies. The PhD project aims to focus on (i) merging targeted and untargeted metabolomics and lipidomics methods, (ii) standardization of methods, and (iii) extending the breadth and scope of methods for metabolomics and lipidomics studies (e.g., type 2 diabetes, circadian rhythms). The work will be conducted at the Institute of Physiology CAS and financially supported by various grants (GACR, MSMT, AZV).

Liquid-gas ejector as compact and economic reactor

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Jan Haidl, Ph.D.

MOF and COF materials for Li-ion batteries: synthesis, structure and ionic dynamics.

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Jiří Brus, Ph.D.

Annotation

The development of hybrid and full electric vehicles raises the demand for electrical energy generation and storage devices. Well-defined porous architecture that allow Li-ions to be stored and reversibly inserted/extracted, predetermines MOF and COF materials to be explored as electrode as well as electrolyte materials for Li-batteries (LiBs). The aim of this PhD project is to develop a novel class of these framework materials modified by metallacarborane compounds and find a suitable polymer matrix allowing to reach optimal flexibility and ionic conductivity in absence of solvent molecules. The project work includes preparation of the composite materials and their detailed physicochemical and structural characterization.

Machine Learning in Computational Spectroscopy

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Annotation

Artificial intelligence and machine learning approaches have recently witnessed a massive development in various fields of science and technology. In the suggested thesis, the candidate will apply these techniques into the field of computational spectrsocopy with a focus on electronic spectroscopies. For more information, see http://photox.vscht.cz

Manifestations of synergy and antagonism in multispecies biofilms

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie
Theses supervisor: prof. Ing. Jan Masák, CSc.

Annotation

Biofilm formation and other virulence factors are subject to different regulatory mechanisms which, depending on the particular microorganism, use different types of chemical compounds as regulatory signales. In multispecies biofilms, a complex system of these molecules is created. They can enter into interactions with each other or with the microorganisms present and significantly influence the mentioned regulatory mechanisms, which then result in very different relationships throughout the microbial community. The subject of the proposed dissertation topic is the targeted formation of multispecies communities and understanding of their physiology and other properties during the formation and stabilization of biofilm.

Mass spectrometry-based metabolomics of biological systems

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Tomáš Čajka, Ph.D.

Annotation

Untargeted metabolomics methods focus on the analysis of all the detectable metabolites in a sample, including chemical unknowns. Liquid chromatography coupled to mass spectrometry (LC-MS) is the preferred technique in metabolomics permitting effective compound separations and detection. However, up to 80% of all detected signals from untargeted profiling represent unknown metabolites. Such a big obstacle in biomedical and biological research hinders meaningful biochemical and pathway interpretations. The PhD project aims to focus on (i) increasing the coverage of spectral libraries used for metabolite annotation, (ii) applying programs for the prediction of ‘unknown’ metabolites, and (iii) using bioinformatics tools for visualization and interpretation of the data obtained within metabolomics studies (e.g., type 2 diabetes, circadian rhythms). The work will be conducted at the Institute of Physiology CAS and financially supported by various grants (GACR, MSMT, AZV).

Material degradation in flue gas and CO2 environment at high temperature

Department: Department of Gaseous and Solid Fuels and Air protection, Faculty of Environmental Technology
Study programme: Energie a paliva

Mathematical modeling of microfluidic devices for separation of racemic

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Microfluidic devices are characterized by a large ratio of interfacial area to internal volume. This can be used in chemical separations by extraction or membrane processes. Separation of optically active substances, often important pharmaceutical or food products, at membranes or sorbents with anchored chiral selectors represents a great challenge for chemical engineers. Mathematical modeling can lead to a better understanding of complex processes in such devices and consequently to the design of efficient microfluidic separators. The main objectives of the PhD project are: Based on preliminary and available experimental data, a mathematical-physical description of mass and momentum transport in microfluidic devices with anchored chiral selectors will be developed. Mathematical models of processes on different spatial scales will be created. They will include description of transport of the separated chemicals by diffusion, convection and electromigration. Models will be analyzed numerically. Parameter values that ensure high separation efficiency and high productivity of the microfluidic system will be searched in the parameter space. The lab is equipped with modern computers. The participation of the doctoral student in grant projects and active participation in international scientific conferences is expected.

Mathematical modeling of microfluidic devices for separation of racemic mixtures

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Microfluidic devices are characterized by a large ratio of interfacial area to internal volume. This can be used in chemical separations by extraction or membrane processes. Separation of optically active substances, often important pharmaceutical or food products, at membranes or sorbents with anchored chiral selectors represents a great challenge for chemical engineers. Mathematical modeling can lead to a better understanding of complex processes in such devices and consequently to the design of efficient microfluidic separators. The main objectives of the PhD project are: Based on preliminary and available experimental data, a mathematical-physical description of mass and momentum transport in microfluidic devices with anchored chiral selectors will be developed. Mathematical models of processes on different spatial scales will be created. They will include description of transport of the separated chemicals by diffusion, convection and electromigration. Models will be analyzed numerically. Parameter values that ensure high separation efficiency and high productivity of the microfluidic system will be searched in the parameter space. The lab is equipped with modern computers. The participation of the doctoral student in grant projects and active participation in international scientific conferences is expected.

Mathematical modelling of chemical and membrane processes using universal simulation programs

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Dr. Ing. Vlastimil Fíla

Annotation

Universal simulation programs introduce a tool suitable for design of new and optimization of existing industrial technologies. In the frame of this work the static and dynamic models of selected advanced membrane and/or chemical technologies or their parts will be developed using universal simulation programs. By the help of them and computer experiment the behavior of these technologies will be studied. Verification of developed models by experimental data will be implemented. Aim of the work is the improvement of economic and ecological technological parameters. The universal simulation programs from Aspen Technology will be used preferentially.

Mathematical models of composite materials prepared by dispersing solid particles of a filler in a liquid polymer matrix

Department: Department of Organic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Pavel Čapek, CSc.

Annotation

The work is aimed at the mathematical modelling of composite materials, the preparation of which includes the creation of a suspension of solid particles in a liquid mixture of a solvent and a polymer precursor, volume contraction of the suspension caused by evaporating the solvent and by forming a solid polymer matrix. The initial suspension is modelled using the random sequential addition of particles of various shapes. Then, the motion of particles of the filler in the shrinking suspension is simulated. Each model microstructure and the corresponding microstructure of the real composite material sample are characterised using statistical measures and these measures are subsequently compared with each other for the quality of the model to be evaluated. The real microstructures are deduced from digital images of their polished sections that are observed using a scanning electron microscope.

Meat and bone meal as a source of valuable elements

Department: Department of Power Engineering, Faculty of Environmental Technology
Study programme: Energie a paliva

Mechanism of atmospheric low-temperature stress corrosion cracking of stainless steel

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: Ing. Tomáš Prošek, Ph.D.

Annotation

Stainless steels provide excellent service when selected and applied properly. Sufficient knowledge base is generally available for material selection for immersion conditions. This is not true for applications of stainless steels under atmospheric weathering conditions. Several cases of ceiling collapse and other component failures have shown that austenitic stainless steels are prone to stress corrosion cracking (SCC) under specific atmospheric conditions characterized by the spontaneous formation of concentrated chloride solutions under highly soluble chloride deposits even at room or only slightly elevated temperatures. This was observed in indoor swimming pools, for outdoor climbing anchors and under evaporative conditions in oil and gas production, storage, and processing. In collaboration with UCT Prague, the Safety Commission of Union Internationale des Associations d'Alpinisme (UIAA) introduced a new standard, which classifies climbing anchors into classes according to their resistance to SCC and/or corrosion. In the next step, particular environments will be classified. However, this requires deeper understanding into the degradation mechanism of stainless steels under relevant conditions is necessary. Factors influencing the SCC initiation and propagation such as the composition and concentration of deposits, tensile stress, role of crevices and aggressive ion accumulation, rock chemistry, periodic washing, stainless steel composition and microstructure and others will be systematically studied. In particular, in situ experiments will be carried out using X-ray micro tomography (μ-CT), which will allow for real time monitoring of crack initiation and propagation. In addition, outdoor exposures of numerous stainless steel grades and alternative materials organised around the world by UIAA will be followed and supported by failure analyses and specific measurements and tests.

Mechanism of the formation of intermetallics in mechanical alloying

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Pavel Novák, Ph.D.

Annotation

Mechanical alloying is a popular technology for the preparation of powders of alloys or intermediary compounds (e.g. intermetallics, carbides or borides) by high energy mechanical milling. The high popularity of the method is given by the fact that it usually leads to nanostructured materials and that even non-miscible elements can create solid solutions during mechanical alloying. Even though the result is known and there are many descriptions available, the mechanism of the formation of intermetallics in this process is not fully understood yet. The reasons are probably in a large variety of possible process parameters and by impossibility to measure the temperature inside the powder in the milling jar. This work proposes following concept: indirect determination of the dependence of the peak powder temperature on milling conditions (rpm, ball-to-powder ratio, ball size) by the use of thermally decomposing salts, comparison of phase composition of the mechanically alloyed powder with the reference powder mixture exposed in the furnace to the detected peak temperature and observation of the time development of the microstructure and phase composition by XRD and electron microscopy (SEM, TEM). The mechanism will be observed on several different systems containing brittle and ductile powders (e.g. Ti-Al, Ti-Si, Ti-Al-Si) and the general conclusion regarding the mechanical alloying mechanism will be formulated.

Mechanisms of bacterial antibiotic resistance and their modulation

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie
Theses supervisor: Ing. Jitka Viktorová, Ph.D.

Mechanochemical indicators for optical spectroscopy

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: Ing. Martin Krupička, Ph.D.

Annotation

Mechanochemical indicators change its spectroscopic properties as a function of applied mechanical force. The goal of the thesis is to synthesize and study such indicators. Suitable molecules will be proposed, based on known chromophores and mechanophores and studied using quantum chemical methods. Selected molecules will be synthesized and studied with spectroscopic techniques with and without presence of mechanical force. Molecules allowing for measuring and quantification of mechanical force should be result of this work, together with theoretical model of its action.

Melting processes in vitrification technologies

Department: Laboratory of Inorganic Materials, Faculty of Chemical Technology

Annotation

The analysis of the processes during the vitrification process is performed using a mathematical model. Input data of the model will be obtained by a set of experimental methods including high temperature monitoring of melting processes, analysis of released gases, thermal analysis and determination of oxidative reduction equilibrium in melts.

Membrane separation of fermentation primary products

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Tomáš Moucha

Annotation

In biotechnologies, batch processes are often used, in which living cultures/biomass are used. Metabolites produced by culture are often poisonous and can damage the culture itself, as an example of which can serve ethanol fermentation. In periodic processes, the initial periods including sterilizing, nutrient dosing, etc., used to be time consuming, financially burdening. Therefore, it is desirable to dedicate an effort to develope continuous performance of such processes. One of the operations ensuring the process continualization can be membrane separation. This case brings the necessity of two membranes modules: i) microfiltration to separate solid particles-biomass and ii) pervaporation to separate primary product of fermentation, e.g., ethanol, as mentioned above. The goal of this work is to experimentally develop two step membarne separation technique, including microfiltration and pervaporation, to be prepared for an interconnection with a fermenter. THe development will be conducted from the viewpoint of chemical engineering. The reached separation parameters (selectivity, permeability) will be investigated in dependency on the process parameters (pressure, flowrate, temperature, feed composition). Chemical engineering quantities (membrain polarization module, mass transfer coefficient,...) will be used to describe these dependencies. At the workplace the new membrane modules are available, which were purchased for the purpose of this development. The PhD student will get familier both with industrial membrane module and with the custom made one. In addition to being familiar with modern technologies introduced in industry, the PhD student will also work in the team of students and academic staff who are experienced in industrial cooperation. PhD study will prepare the student to obtain either qualified working position in industry or to be able systematically conduct further research from the viewpoint of qualified chemical engineer. Further information Assoc. Prof. Tomáš Moucha, UCT Prague, building B, room T02, email: tomas.mooucha@vscht.cz

Metabolomics as a tool illustrating the interactions between a plant and its microbiome

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology

Annotation

Microbial consortia present on agricultural plants have a major impact on their prosperity (growth, resistance to pathogens, yields, chemical composition, etc.). An important role is played by the microbial species inhabiting the plant itself (bacteria, micromycetes, yeast), as well as the relationship between the microorganism and the plant (endophyte vs. pathogen). The topic of the dissertation will include the characterization of (bio)chemical changes taking place in the system of plants and microorganisms using metabolomics, as a complex analysis of endogenous and exogenous metabolites with low molecular weight up to about 1500 Da. Attention will be focused on Vitis vinifera L. (vine) and Hordeum vulgare L. (sown barley), as one of the most important agricultural plants grown in the Czech Republic.

Metallic materials and hydrogen

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: prof. Dr. Ing. Dalibor Vojtěch

Metallic materials prepared by advanced 3D printing technologies

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: prof. Dr. Ing. Dalibor Vojtěch

Annotation

3D printing methods like selective laser melting (SLM) or other, are prospective for the fabrication of complex structural parts and medical implants because of their ability to produce very complex shapes. In the work, structures, mechanical, corrosion and biological properties of Ti based alloys, stainless or high-strength steels, biodegradable alloys or light-weight alloys prepared by various 3D printing processes will be investigated. In addition, the relationships between process parameters of 3D printing and characteristics of resulting products will be evaluated. Results of the study will propose process parameters the most suitable for obtaining desirable products. The work will also be focused on the development of novel 3D printing methods based on metal deposition.

Methods of effective assurance of health microbiological safety, technological harmlessness and the quality of non-alcoholic beverages

Department: Department of Food Preservation, Faculty of Food and Biochemical Technology

Annotation

In the food industry, acetic acid bacteria belonging to the Acetobacteraceae family are both health and technologically undesirable bacteria that often contaminate non-alcoholic flavoured and unflavoured beverages on different bases. For contaminated drinks, the decrease in quality is due to the occurrence of serious sensory defects. As regards to human resources, the species Acetobacter cibinongensis, Asaia bogorensis, Asaia lannensis, Gluconobacter frauterii have the status of opportunistic pathogens causing serious nosocomial infections in immunocompromised persons. The doctoral thesis is focused on the detection, characterization and identification of acetic acid bacteria isolated from non-alcoholic beverages and the production environment using modern and classical microbiological methods. The aim of the work is to contribute to refinement of laboratory control of non-alcoholic beverages during elimination of undesirable bacteria affecting its health microbiological safety, quality and durability.

Micro and nanorobots based on photocatalytic materials for biomedical applications

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Theses supervisor: doc. RNDr. Martin Pumera, Ph.D.

Annotation

Candidate will construct microrobots powered by chemicals for drug delivery and cancer treatment using inorganic chemistry approach. Candidate will learn how to fabricate micro and nanorobots by electrochemical and physical vapor deposition approach, how to operate and remotely control micro and nanorobots and how to chemically program them. More on www.nanorobots.cz

Micro and nanorobots for targeted drugs delivery to cancer cells

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Theses supervisor: doc. RNDr. Martin Pumera, Ph.D.

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Candidate will construct microrobots powered by chemicals for drug delivery and cancer treatment using inorganic chemistry approach based on photoactive systems. Candidate will learn how to fabricate micro and nanorobots by electrochemical and physical vapor deposition approach, how to operate and remotely control micro and nanorobots and how to chemically program them. More onwww.nanorobots.cz

Micro-cybernetics and Micro-robotics in chemistry

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering
Theses supervisor: doc. Ing. Jan Mareš, Ph.D.

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The topic of the work is focused on the development and management of the so-called microrobots and their formations. The project is based on cooperation with the Institute of Chemical Engineering, where they have been dealing with the movement of microparticles for a long time. The work assumes (i) the study of advanced methods of electron microscope image analysis, (ii) the design of specific methods and algorithms for guiding, controlling and optimizing the path of motion of microrobots and (iii) the implementation and verification.

Micro-scale mathematical modeling of gas-liquid transport in catalyst pores

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: doc. Ing. Petr Kočí, Ph.D.

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The work focuses on the development of advanced mathematical models for simulations of mass transport in multiphase systems gas-liquid indide pores of a solid catalyst, including phase change (evaporation, condensation). The models are developed in the CFD environment OpenFOAM and utilize 3D-reconstructed structures of porous materials obtained from X-ray tomography (XRT) and electron microscopy. The model results are further verified with the available experimental data from lab reactor.

Microalgae polysaccharides: isolation, structure and biological activities

Department: Department of Carbohydrates and Cereals, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Mgr. Andrej Sinica, Ph.D.

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The microalgae cultivation creates biomass, which is a potential source of biologically active compounds such as structural polysaccharides, proteins, polyphenols, carotenoids, etc. This dissertation will be focused on isolation and structural characterization of polysaccharides and biologically active metabolites of microalgae by spectroscopic, chromatographic and separation methods. Antioxidant, antitumor, immunomodulatory activities of selected compounds will be tested in cooperation with the Department of Biochemistry and Microbiology at University of Chemistry and Technology Prague.

Microbial Cometabolism: Promoting Biodegradation of Pollutants

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie
Theses supervisor: doc. Ing. Ondřej Uhlík, Ph.D.

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The objective of the proposed thesis is to test the hypothesis that secondary plant metabolites can promote cometabolism of persistent organic pollutants in the environment and thereby significantly influence the biodegradation potential of autochthonous microbial communities. In order to accomplish this objective, we will (i) selectively enrich soil bacterial consortia that will degrade selected pollutants (polychlorinated biphenyls, PCBs, and polyaromatic hydrocarbons, PAHs) when grown on secondary plant metabolites and (ii) test whether the consortia involved in secondary plant metabolite metabolism will increase the efficiency of biodegradation of PCBs and PAHs in soils.

Microbiota of Selected Extreme Biotopes – Diversity, Ecology and Physiology

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie
Theses supervisor: doc. Ing. Ondřej Uhlík, Ph.D.

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The objective of the proposed thesis is to characterize microbial populations in extreme biotopes – chronosequence of permafrost (permafrost of differing age) and soils from salt marshes and moffettes. The characterization will be conducted by two major routes – metagenomics and modified cultivation techniques. The basic modification of the cultivation techniques will be the use of resuscitation-promoting factor and adjustment of cultivation media so that they better mimic natural conditions the bacteria are subjected to in their habitat; the goal is to increase the efficiency of the cultivation and isolate dormant or otherwise difficult-to-culture or, if possible, as-yet-uncultured bacteria.

Microfluidic systems for the synthesis and separation of optically active

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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Microfluidic reactors and separators are modern devices that represent an alternative to conventional batch and flow systems used in biotechnology. The small spatial scale ensures reproducible reaction conditions and intensive mass and heat transfer. Microfluidic devices generally lack moving parts and allow easy combination of many unit operations such as mixers, separators, reactors. The main objectives of the PhD project are: Study of kinetics of selected enzymatic reactions, which lead to production of optically active chemicals that are used in pharmacy, food industry or synthesis of chemical specialties. Design and fabrication of microfluidic separators with embedded membrane or sorbents with attached chiral selectors for separation of racemic mixtures. Testing of manufactured microfluidic devices for selective separation of selected optically active compounds. Evaluation of the possibility of accelerated transport of optically active substances through membranes by means of an imposed electric field. The lab is equipped with technologies for the production of microfluidic systems, modern measuring instruments and powerful computers. The participation of the doctoral student in grant projects and active participation in international scientific conferences is expected.

Microfluidic systems for the synthesis and separation of optically active chemicals

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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Microfluidic reactors and separators are modern devices that represent an alternative to conventional batch and flow systems used in biotechnology. The small spatial scale ensures reproducible reaction conditions and intensive mass and heat transfer. Microfluidic devices generally lack moving parts and allow easy combination of many unit operations such as mixers, separators, reactors. The main objectives of the PhD project are: Study of kinetics of selected enzymatic reactions, which lead to production of optically active chemicals that are used in pharmacy, food industry or synthesis of chemical specialties. Design and fabrication of microfluidic separators with embedded membrane or sorbents with attached chiral selectors for separation of racemic mixtures. Testing of manufactured microfluidic devices for selective separation of selected optically active compounds. Evaluation of the possibility of accelerated transport of optically active substances through membranes by means of an imposed electric field. The lab is equipped with technologies for the production of microfluidic systems, modern measuring instruments and powerful computers. The participation of the doctoral student in grant projects and active participation in international scientific conferences is expected.

Microorganisms and their utilisation in waste management

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie
Theses supervisor: Ing. Hana Stiborová, Ph.D.

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Nowadays, more attention is paid to recycling and recovery of waste and therefore, the European Union has adopted a new Circular economy action plan. One option of reducing the environmental burden and decreasing the CO2 emissions in the (cement) building industry is the usage of recycled bio-concrete, which can be obtained using microbiologically induced calcite precipitation (MICP). This thesis's main goal will be to isolate and characterise suitable microorganisms and optimise MICP conditions concerning the yields, the structure and mechanical properties of bio-concrete.

Microwave photochemistry and preparation of polyaromatics

Department: Department of Polymers, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Dr. Ing. Vladimír Církva

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The project is coupling of two scientific branches: traditional photochemistry and neoteric microwave chemistry, when the effect of UV/Vis and microwave radiation on the chemical and physical properties of molecules is studied. UV radiation is generated quite extraordinary directly by microwave field using the electrodeless discharge lamps. The aim of the project is a basic research of effect of microwave radiation on the course of cis-trans photoisomerization and photocyclization of stilbenes and o-terphenyls leading to phenanthrene, triphenylene, phenacene, and helicene derivatives, or to their N- and S-hetero analogues, which can be applied in molecular electronics. The candidate should be experimentally skilled and practically familiar with organic synthesis. We offer an employment contract at ICPF.

Misfit cobaltites for high-temperature thermoelectric conversion – the role of phase composition and oxygen stoichiometry

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology

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The aim of this work is the synthesis and characterization of cobalt mixed oxides, thermodynamic data measurement and assessments in the Bi-Ca-Co-O, Ca-Co-O and Bi-Sr-Co-O systems. Measurement of thermoelectric properties of the Bi1.8(Ca/Sr)2Co1.85Oz misfit phase including their dependence on variable oxygen stoichiometry as a function of temperature and oxygen activity will be also studied.

Mixing and segregation of granular materials

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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Unlike liquids, the issue of segregation must also be addressed when mixing granular systems. Granular systems contain a large number of particles. However, the individual grains are not identical but may differ in size, density, hardness, shape, or other physical-chemical properties. This type of difference during particle motions often ultimately leads to the segregation of material with different properties. Although the segregation is a ubiquitous phenomenon that causes different dynamic behavior of granular particles, the reasons for its formation, intensity, and prediction of the resulting system behavior are not always completely clear. This work investigates the mechanisms of segregation during the mixing process and its effect on the dynamics of granular materials. The research will be carried out mainly using numerical simulations using the discrete element method. Required education and skills
• Master degree in chemical engineering, mathematical modeling, computer science;
• high motivation, willingness to learn new things;
• team spirit.

Modeling of drug release from the solid dispersions by diffusion erosion models

Department: Department of Organic Technology, Faculty of Chemical Technology

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This work is aimed at the study of the drug release from the solid dosage forms comprsing solid dispersions. Such formulations exhibit a well-defined structure, and the drug dissolution can be studied not only by classical dissolution techniques, but also by the apparent intrinsic dissolution. Several fronts develop in dosage forms of this type, where thos fronts corresponds to the liquid penetration, drug leaching and erosion of the residual matrix. Such processes can be described by diffusion-erosion models, which allow determining their rate controlling steps and characteristic rates to be used for the design of controlled release drugs.

Modeling of particles adhesion and breakage during processing of powder materials

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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During the processing of powder materials, intense force interactions occur between the particles, resulting in the particles' adhesion to larger agglomerates or, conversely, their destruction and subsequent breaking. The adhesion of particles due to attractive interparticle interactions connected with particle's deformation is controlled by combining the grains' surface properties and the forces acting on the interacting particles. Particle breakage results from the interaction between the particle's internal strength and the forces acting on the particle. This work aims to describe the influence of adhesion and particle breakage on the powder materials' dynamics and transport properties. The research will be carried out mainly using numerical simulations using the discrete element method. It is assumed that adhesion's origin will be described by the theory of Johnson, Kendall, and Roberts. Models describing elastic bonds based on the definition of stiffness and bond damping will be used for particle breaking. Required education and skills
• Master degree in chemical engineering, physics, mathematical modeling, computer science;
• high motivation, willingness to learn new things, team spirit.

Modeling of rheological properties of dairy products.

Department: Department of Dairy, Fat and Cosmetics, Faculty of Food and Biochemical Technology

Modeling of ultrafast processes in radiation chemistry

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

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The enormous experimental development allows for a direct study of electron photoemission from water and solutions. New, hithertho unknown phenomena have emerged. The Intermolecular Coulomb Decay represents one example. The new phenomena can give rise to novel spectroscopies or to application in radiooncology. The proposed Thesis will focus on the exploration of these phenomena, using the methods of quantum theory of molecules and molecular simulations. For more information, see http://photox.vscht.cz/

Modelling of interactions in colloidal systems by Discrete Element Methods

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Juraj Kosek

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Various particulate dispersions in liquid phase, e.g., suspensions or emulsions, are found in many products starting from polymer latexes through personal care up to paints and food products. The first aim of this project is to advance our particle-based computer modelling and address numerous challenges. This will be possible due to on-going parallelization of DEM code allowing to calculate at realistic shear-rates. Examples of open challenges are: (i) rheology and stability of dispersions stabilized by non-ionic surfactants, (ii) formation of colloidal gels, (iii) extensional rheology of concentrated dispersions, (iv) electrostatic charging of dielectric particle-liquid dispersions, (v) formulation of kernels for population balance modelling, and (vi) application of dispersions in energy-storage applications based on metal-air electrochemical cells. PhD student will become familiar with not only polymer reaction and material engineering, polymer physics, physical chemistry, fluid mechanics and colloid science, but will also advance his/her mathematical modeling skills. The project will be conducted not only with the research team in our research laboratory, but also with partners from European companies and universities. This project is going to be supported by grant projects and contractual research. Info: phone +420 220 44 3296, office B-145, e-mail jkk@vscht.cz, web http://kosekgroup.cz

Modelling of nuclear quantum effects in spectroscopy

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

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The Thesis will focus on method development for simulations of spectral properties with a special attention paid to the nuclear quantum effects. The role of nuclear quantum effects on molecular structure and thermodynamics will be explored, too. For more information, see http://photox.vscht.cz.

Modification of metal surfaces by helicenes for molecular sensing

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemistry, Chemie, Chemie
Theses supervisor: Ing. Jan Storch, Ph.D.

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The aim of this Ph.D. thesis will be the synthesis, characterization and chiral resolution of appropriate helicene derivatives for use in hybrid plasmonic nanostructures with a strong chiral response. Such systems serve in detection of small chiral molecules for direct determination of their absolute configuration or ee% in enantiomerically enriched mixtures.

Modified DNAzymes and DNA origami

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: prof. Ing. Michal Hocek, DSc.

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We will design and synthesize modified deoxyribonucleoside triphosphates bearing functional groups or ligands for complexation of metals. They will be used for enzymatic synthesis of modified oligonucleotides which will be applied in selection and construction of functional DNAzymes or DNA origami.

Modified DNAzymes and DNA origami

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: prof. Ing. Michal Hocek, DSc.

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We will design and synthesize modified deoxyribonucleoside triphosphates bearing functional groups or ligands for complexation of metals. They will be used for enzymatic synthesis of modified oligonucleotides which will be applied in selection and construction of functional DNAzymes or DNA origami.

Modular Hydrogel Microrobots

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: RNDr. Ivan Řehoř, Ph.D.

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Miniturization of robots to the sizes of tens of microns will allow their application in new, currently inacccesible areas, such as controlled drug delivery or microsurgery. In order to simplify the mechatronic design of such microrobots, novel approaches have been adopted for their operation and control, exploiting soft materials, actuating through deformation, such as responsive polymers. These advanced materials, together with development of their processing in microscales gave rise to soft microrobots capable of independent untethered motion or manipulation with other objects . In our group, we have recently developed hydrogel microrobots, crawling over surfaces, powered by light (https://www.youtube.com/watch?v=PQOXS7f9rDg). Many of the visionary real-life applications of microrobots foresee their ability to autonomously cooperate and connect into greater structures, that will perform tasks, inaccessible to the individual robots. Modular connectivity of macroscopic locomotive robots has been tackled experimentaly, demonstrating the extended application of such robot assemblies, compared to the individual robots. The connective mechanisms and the organization of the individual robots into the assembly however remains a complex and challenging task. This project aims to probe potential pathways for the connection of crawling hydrogel microrobots into actuating millimeter-sized structures, capable of performing mechanical work.

Modular synthesis of silane dendritic materials

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Tomáš Strašák, Ph.D.

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Precisely built molecular architecture represents the important precondition for the functionality of a material. Therefore, a development of processes facilitating the synthesis of well-defined macromolecular compounds is recently intensively investigated. A subject of the project comprises an application of modular synthesis principles for the preparation of new dendritic materials with favorable properties for medicinal applications (diagnostics, therapeutics, theranostics, drug delivery systems). A library of building blocks, which is already available, will be further extended for the synthesis of new compounds or for the functionalization of the already prepared ones. Using these modules, novel dendritic multifunctional materials with desired properties will be constructed by properly devised methods. Regarding the applications of these materials, we will take advantage of our long-standing cooperation with external departments. The project comprises a detailed analysis of products using convenient analytical techniques (NMR, HRMS, GPC, etc.). Required education and skills
• Master degree in organic chemistry, organic technology;
• willingness to do experimental work and learn new things;
• team work ability.

Molecular Simulations of Atmospheric Aerosols

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

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Atmosphere of Earth is a unique chemical reactor. Light induced reactions play a prominent role in the intiation of many important chemical reactions. Many of the atmospheric processes also take place within heterogeneous processes, e.g. on the surface of aerosols or dust particles. The project focuses on theoretical modeling of chemical and photochemical processes in the stratosphere and in the troposhere. The whole toolbox of theoretical methods will be used within the project. For more information, see http://photox.vscht.cz/

Molecular characterization of various variants of fish parvalbumin gene in respect of biochemical and allergenic features of corresponding expressed proteins

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology

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Fish parvalbumin gene is composed of four exons separated by three introns. The gene encodes highly thermoresistant parvalbumin protein. This protein can act as food allergen in predisposed consumers. Intron sequences of the gene can due to their uniqueness serve as species determination marker, while exons encode protein, including respective epitopes triggering allergic reaction. In each fish species, parvalbumin gene is represented by number of paralogs. The aim of the dissertation is to characterize these paralog/ortholog variants by means of molecular tools as well as by biochemical and immunochemical approaches, building on phylogenetic data obtained from databases as well as from NGS. Obtained dataset should also serve as a base for next construction of microarray chip for species determination or in phagemid version for pacient sera profiling to assess reactivity to a spectrum of various fish species meat.

Molecular composites of polyamides

Department: Department of Polymers, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: prof. Ing. Jiří Brožek, CSc.

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The work is focused on preparation posibilities of molecular composites polyamide 6/other polyamides and their characterization. Polyamide acts as a matrice in these materials and other polyamide is scattered in the matrice and can change properties of materials. These composites offer variability in materials properties and fullfil demands on special polymers.

Molecular simulations of electrode-electrolyte interface

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

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The thesis will focus on theoretical study of the interfaces between the electrode material and electrolytes. Extremely concentrated electrolytes will be studied as well, especially in the context of novel energy sources. The work will include techniques of quantum chemistry and statistical mechanics. For more information, see http://photox.vscht.cz/

Monitoring of the assessors sensitivity to selected tastes

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Dr. Ing. Marek Doležal

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Taste is a sensory modality that leads organisms to identify and consume nutrients and avoid toxins and indigestible materials. How taste (taste perception) works has not yet been fully explored, because the perception of the taste of food and drink results from complex interactions between individual sensory systems. In addition to the hitherto recognized basic tastes, a fatty taste which lies at the interface between somatosensory and taste perception can also be detected by means of dedicated receptors through taste cups. For many years, the recognition of fat in food has been considered primarily a function of its structure, and thus of somatosensory origin. Because specific membrane receptors have been described on taste bud cells for the detection of free fatty acids, a fatty taste is likely to be considered another basic taste. The work will be realized mainly in the sensory laboratory, which is equipped according to the relevant international standard ISO 8589. Part of the work will be monitoring the sensitivity of the assessors to selected tastes. Attention will be paid especially to the fatty taste and the effect of fatty acids on the taste perception, the sensitivity of the assessors to the metallic taste of zinc salts and substances that mask individual tastes.

Monitoring the occurrence and fate of antibiotic resistance genes in wastewater and the environment

Department: Department of Water Technology and Environmental Engineering, Faculty of Environmental Technology
Theses supervisor: doc. Ing. Jan Bartáček, Ph.D.

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The spread of antibiotic resistance is one of the world's most pressing health-related problems. Every year, the number of patients who cannot be treated with standard antibiotic treatment, because they are infected with antibiotic-resistant strains of bacteria, is growing. Wastewater and sewage sludge are one of the most important ways of introducing antibiotic resistance (in the form of resistant pathogenic bacteria or their genetic information - antibiotic resistance genes) into the environment. This work will deal with the monitoring of antibiotic resistance genes in wastewater, their removal in wastewater treatment plants, and their fate after they enter the environment. The main monitored environments will be sediments of wastewater recipients and soil irrigated with recycled wastewater.

Multicomponent silicate and borate structures to be used in thermal neutrons detection

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Theses supervisor: Ing. Vít Jakeš, Ph.D.

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This work will be focused on multi-component silicate and borate structures with substitution of activator ions in order to increase the phase and chemical resistivity of the material and to improve the scintillation response in the detection of neutron radiation.

Multifunctional heterogeneous catalysts for biomass valorization

Department: Department of Petroleum Technology and Alternative Fuels, Faculty of Environmental Technology
Study programme: Energie a paliva

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The complexity of biomass-derived raw materials necessitates the development of novel catalysts with several cooperative catalytic functionalities. The work will focus on designing, synthesizing, and characterizing multifunctional catalysts and evaluating their catalytic activity, selectivity, and stability in the transformation of biomass-derived raw materials (such as furfural, 5-hydroxymethylfurfural, or levulinic acid) to value-added chemicals and/or advanced biofuels. The main attention will be directed at understanding the relationships between catalyst synthesis and its structure and properties as well as between catalyst structure and properties and its performance.

Multivalent neoglycoconjugates with therapeutical potential

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology

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Galectins are animal lectins with affinity to ?-D-galactosides, which in vivo participate in, e.g., cancerogenesis, metastatic processes, immune response to tumorigenesis, and other cancer-related pathologies. The concentration of extracellular galectins in vivo significantly rises in connection with cancer and therefore they may be used as diagnostic markers in many cancer types, such as colorectal carcinoma. Targeted inhibition of extracellular galectins is one of the novel prospective therapeutic approaches to the treatment of pathologies associated with galectin overproduction. A range of recent structure-function studies revealed detailed structural requirements of individual galectins for high-affinity and selective ligands. The avidity of specific glycomimetics to target galectins may be greatly increased by the multivalent presentation. The aim of this work is to synthesize multivalent neoglycoconjugates carrying specific saccharidic ligands or glycomimetics with high selectivity and affinity to target galectins. The inhibition and binding potential of these neoglycoconjugates to galectins, in particular to galectin-1 and -3, will be assayed by in vitro methods of ELISA and surface plasmon resonance (SPR) with recombinant galectins and, later on, with selected cultures of cancer cells.

NMR crystallography of active pharmaceutical ingredients

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Jiří Brus, Ph.D.

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In the NMR Department of the IMC there is an urgent need for lowering the computational cost and at the same time increasing the robustness of the crystal structure prediction-based NMR crystallography approach to structural elucidation of powders and other forms of molecular solids. The project aims at analyses of the crystal-symmetry elements together with other geometry parameters in order to find and implement structural constraints and/or restraints into our NMR crystallography protocol. In addition, extensive database searches of the investigated structural motifs will be used.

Nanoparticulate formulation approaches for topical delivery

Department: Department of Organic Technology, Faculty of Chemical Technology
Study programme: Drugs and Biomaterials

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Human skin represents a unique protecting barrier which, however, limits the trans/dermal drug delivery. Nanoparticulate systems show a great potential to improve drug permeation across the skin barrier, though their exact interaction mechanism with the skin barrier has not been fully understood yet. The aim of this work will be development and characterization of advanced nanoparticulate systems containing selected actives. Effectivity of the formulations will be determined in vitro on isolated skin or by other techniques. For deeper understanding interactions between the nanoparticles and skin barrier, biophysical techniques (e.g. infrared and Raman spectroscopy or X-ray diffraction) will be applied. The main outputs of the work will be effectivity evaluation of the particular formulation approaches and elucidating of interactions between the nanoparticles and skin barrier.

Nanostructured biomimetic surfaces with antibacterial effect

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Viola Tokárová, Ph.D.

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Biomimetic materials developed thanks to new technologies have a unique function inspired by the biomaterials and their structure occurring in nature. One of the areas of biomimetics is topographic surfaces with antibacterial property. The subject of the work is the mapping of the topography of natural materials, such as the wings of selected representatives of dragonflies or rose petals and replication of the structures into suitable material that can be applied in biomedicine (e.g., implants). The aim is to focus on nanostructured topography and to characterize both surfaces, natural and replicated, and to test antibacterial property of replicas against different bacterial strains (e.g. infections associated with postoperative medical care).

Nanostructured ferrited doped with magnetic elements to enhance their magnetocaloric effect

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Theses supervisor: Ing. Ladislav Nádherný, Ph.D.

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Magnetic refrigeration is a modern and ecologic cooling technology based on the magnetocaloric effect (MCE). This technique can be used to attain extremely low temperatures, as well as the ranges used in common refrigerators. The main aim of this thesis is to enhance the magnetocaloric effect in FeCo ferrites by nanosizing and doping with magnetic ions, which both can affect magnetic phase transition near room temperature. Studied materials will be prepared by wet-chemistry methods (e.g. sol-gel, co-precipitation) and MCE will be characterized in PPMS in which the heat capacity will be measured in a strong magnetic field.

Nanostructured/ composite materials based on TiO2 for photocatalytic processes in gaseous phase

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: prof. Dr. Ing. Josef Krýsa

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Air polution represents a significant problem which can be conveniently solved by an application of photocatalytic processes. Therefore the aim of the present thesis is the preparation of new photocatalytically active composite materials based on TiO2 and the determination of their adsorption and photocatalytic properties. Titanium dioxide nanotubes prepared by anodic oxidation show a larger active area (compared to planar samples), allowing more efficient removal of polutants from the gaseous phase. The influence of various modifications of TiO2 nanotubes and of operating parameters (flow, humidity and UV intensity) on photocatalytic efficiency will be investigated. The goal is to get the material having at the same time good adsorption properties and at the same time a high ability to remove unwanted volatile substances in the air. Part of the work will use the standard ISO tests for monitoring the kinetics of oxidation reactions (NOx, VOCs) on the surface of the prepared photocatalysts. The important part is the characterization of materials/coatings (XRD, SEM, BET, Raman spectroscopy) and further development of methods allowing the testing of functional properties of the prepared materials/coatings in air treatment.

Nanostructures based on MXene type layered carbides

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

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This thesis is focused on the preparation of layered MAX phases with general composition M1+yAXy, where M is transition metal, A is metal or semi-metal from the group of p-elements (Al, Si, Ge) and X is carbon or nitrogen. MAX phases have a unique layered structure which can be chemically exfoliated to monolayers of MXens with general composition M1+yXy. Their surface can be stabilized by various functional groups. Student will work on the development of new methods for synthesis of MAX phases (SPS methods, high-temperature ceramic synthesis) and the processes of chemical exfoliation and surface functionalization. The prepared materials will be tested for applications in energetic (hydrogen evolution, Li and Na batteries, and membranes for hydrogen separation or supercapacitors). The influence of composition and structure on their properties will be studied as well.

Nanotherapeutics based on antimicrobial peptides for multiresistance bacteria species treatment

Department: Department of Organic Chemistry, Faculty of Chemical Technology

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The work will be focused on the study of biodegradable polymeric nanomaterials carrying antimicrobial peptides. The studied nanomaterials will have a linear, branched or star-like structure composed from hydrophilic or amphiphilic copolymers containing stimuli-sensitive linkers. The aim of this work will be to develop an effective nanotherapeutic for the treatment of infections caused by resistant bacteria. The biological activity of these polymeric nanomaterials will be studied in dependence on the detailed structure of the whole system. The student will extend his/her knowledge in the area of preparation of mentioned nanomaterials, in vitro biochemical and biological testing and in vivo biological characterization of nanomaterials. The applicant's knowledge and experience in organic and / or macromolecular chemistry is an advantage, along with the desire to learn new things in other fields, such as biochemistry. The work assumes close cooperation with cooperating biological teams in the Czech Republic and abroad.

Natural Fibre Reinforced Thermoplactics for Structural Applications

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering
Study programme: Chemistry

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The recent increase in use of woven fibre composites is a direct outcome of technical advances in materials development and manufacturing technologies. This class of composites is of intense interest for applications in operational structures, where durability and damage tolerance are first-rank considerations; thus, understanding damage is of key importance for applications where the ability to maintain structural health during operational life andthusincreasing overall reliability are top priorities. In spite of this, the study of their mechanical properties, in particular the damage resistance of these materials, is still in its infancy, and one of the main sourcesof conservatism in their use is uncertainty regarding damage characterization and failure initiation. Existing work on short (unwoven) vegetal-fibre composites shows that incorporation of vegetal fibres shows great promise. This study will focus on fabrication and failure characterization vianNon-DdestructiveEevaluation (NDE) of an emerging class of laminated composite materials, viz. those based on a thermoplastic matrix reinforced with woven vegetable-based fibre fabric layers. A particular focus will be given to flax fibre fabrics included in a thermoplastic acrylic matrix byvVacuum-aAssistedrResiniInfusion (VARI). Such composites have the following advantages: i) the use of bio-based and biodegradable fibres as replacement for conventional synthetic fibres, ii) the use of a recyclable matrix by crushing/reshaping or depolymerisation, iii) therRoom-tTemperature (RT) manufacturing process that may limit thermal degradation of the flax fibre (including its physicochemical treatment) despite the inherent heat release induced by the matrix polymerization. To reach optimal mechanical properties in terms of stress transfer from matrix to fibre, good fibre-matrix interface compatibilization and adhesion will be required. Once composite manufacturing is optimized, a manufacturability of these materials and their failure during their life cycle will be performed.

Naturally sourced particles for drug encapsulation and delivery

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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Drug encapsulation into a suitable carrier particle is a common method used in situations where it is possible to either modify the surface properties (e.g. powder flowability or dispersibility in water), to protect the encapsulated component from the environment (e.g. enzymatic digestion in the GI tract) or to control the rate of drug release. Several man-made encapsulation processes are known. However, there are also many natural systems that rely on encapsulation – the cell walls of single cell organisms or their spores, natural particles such as pollen, extra-cellular vesicles, or sub-cellular structures such as vacuoles or other organelles. Some of these structures are highly specific in terms of drug diffusion and its selectivity, or in terms of recognition by cells of the immune system e.g. due to specific shape of the presence of immunomodulatory functional groups on the surface. Yeast glucan particles can serve as a prime example. The aim of this inter-disciplinary project is to investigate the potential of several different types of naturally sourced particles in drug formulation and drug delivery. Both cell-wall derived particles and organelle-based particles will be considered. Special attention will be paid to the process of particle extraction and isolation, as well to the drug encapsulation methodology.

New concept of enhancing targeting of polymer conjugates for drug delivery to brain

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Theses supervisor: Ing. Jiří Pánek, Ph.D.

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The aim of the Ph.D. thesis is to develop a conceptually new system for inhibition of glutamate carboxypeptidase II (GCP II) in brain as a treatment tool for suppressing glutamate toxicity and subsequent neuroinflammation-caused secondary damage after ischemic, hemorrhagic or traumatic brain injuries (which typically damage brain and spinal cord more than the primary injury and are the reason why neural damage often gets worse within few days after first occurrence of symptoms). The delivery system will modify the unfavorably hydrophilic properties of the GCP II inhibitors, which are normally unable to cross the blood-brain barrier (BBB). The delivery system will also enhance inhibitor potency by forming multivalent physically self-assembled („molecular toolbox“) biocompatible polymer-coated solid lipid nanoparticles. The inhibitor-containing nanoparticles will decompose after crossing the BBB by apolipoprotein E-mediated transfer and the polymer-bound inhibitor will become reversibly membrane-anchored in the proximity of the membrane-bound GCP II. This membrane anchoring is expected to be a generally applicable concept for targeting also enzymes or receptors other than GCP II.

New deazapurine nucleosides and nucleotides as potential antivirals or cytostatics

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: prof. Ing. Michal Hocek, DSc.

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The recently reported synthesis of perfluoroalkyl azides and triazoles1 opened the door to study properties and reactivity of these compounds. In this project, the rich chemistry of (per)fluoroalkyl azides and triazoles1-10 will be investigated and new synthetic approaches to underdeveloped N-fluoroalkyl-containing compounds such as azides, azoles, azirines, ureas, carbamates, and amides will be studied. This class of compounds is expected to find utilization in drug discovery and in the development of new materials

New deazapurine nucleosides and nucleotides as potential antivirals or cytostatics

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: prof. Ing. Michal Hocek, DSc.

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We will design and synthesize new modified deazapurine nucleosides, nucleotides and prodrugs as inhibitors of polymerases or other enzymes of nucleotide metabolism, or as ligands (agonists or antagonists) of nucleotide receptors. Selected active compounds will be further optimized in order to identify preclinical candidates for development of potential antiviral or antitumour agents.

New effective separation membranes for water and wastewater treatment based on hybrid carbon-based materials

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Theses supervisor: doc. Ing. Karel Friess, Ph.D.

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Current membrane separation processes allow efficient purification and physical disinfection of water from undesirable components on the basis of a size-sieving mechanism without the need for chemical agents. The pore sizes and their distribution on the membrane surface is an important factor for the effective removal of contaminants and microorganisms. The thesis will study the possibilities of using newly prepared membrane materials based on carbon materials (carbon nanotubes, graphene derivatives, etc.) with targeted surface modifications (eg doping with antimicrobial agents, etc.) in order to effectively remove collected contaminants from water. In addition to the preparation, characterization and testing of materials, the work will also include modelling of the separation process. The result of this work will be, besides the preparation of an effective separation material and describing the model, an extension of knowledge in the given membrane field.

New heterocyclic inhibitors of selected protein kinases

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: prof. Ing. Michal Hocek, DSc.

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We will design and synthesize modified heterocyclic compounds as inhibitors of selected protein kinases that are relevant targets for potential therapeutics of tumours or neurodegenerative diseases. A combination of rational design, synthesis of combinatorial libraries and optimization of hits will be used.

New heterocyclic inhibitors of selected protein kinases

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: prof. Ing. Michal Hocek, DSc.

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We will design and synthesize modified heterocyclic compounds as inhibitors of selected protein kinases that are relevant targets for potential therapeutics of tumours or neurodegenerative diseases. A combination of rational design, synthesis of combinatorial libraries and optimization of hits will be used.

New method of in vitro test of glass and glass-ceramic materials for bone tissue replacement

Department: Department of Glass and Ceramics, Faculty of Chemical Technology
Theses supervisor: doc. Dr. Ing. Dana Rohanová

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Substitution of hard bone tissue by glass, glass-ceramic, or ceramics material is a common practice today. Each, potentially bioactive material has to be studied by a series of in vitro and in vivo tests. In vitro tests used for an inorganic biomaterial is now described in ISO 23317:2014. Nowadays, this standard is obsolete and needs a general revision. The recommended form of the tested material (solid discs) and testing solution (Simulated Body Fluid - SBF) seems to be not suitable. SBF simulates the inorganic part of blood plasma and is buffered with TRIS+HCl buffer. However, this buffer interacts with the tested glass and shifts the in vitro test results to false-positive values. This work will be focused on the setting of the new conditions of in vitro tests for better characterization of tested biomaterials.

New methods of C-O bond activation for advanced cross-coupling reactions

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programme: Chemie

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Cross-coupling reactions are part of modern chemistry. During cross-coupling reactions, the starting material, which contains a reaction center (e.g., an activated C-O bond), is modified to the reaction product by the action of a suitable reagent in the presence of a catalyst. The aim of this work is to increase the atomic economy by cross-coupling reactions of substances with activated C-O bond. During the project, new types of reaction centers represented by activated C-O bonding will be designed. For these substances, the cross-coupling reaction will be conducted so as to selectively form two easily separable products.

New nanostructured carbon nanotubes-based composite membranes for selective gas separation

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)
Theses supervisor: doc. Ing. Karel Friess, Ph.D.

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Membrane separation processes (MSP) belong to the modern technologically significant separation methods. Furthermore, MSP are less economical demanding and more eco-friendly industrial processes compared to the conventional separation techniques used in chemical, petrochemical, pharmaceutical and food industries. The most significant industrial applications of MSP for gas separation are focused on the separation of helium from natural gas, separation of hydrogen from hydrocarbons, carbon monoxide or nitrogen and also for removing carbon dioxide from biogas or organic vapours from the air. Generally, single-wall carbon nanotubes (SWCNT) and graphene oxide (GO) based membrane materials belong to the modern and dynamically growing group of materials that have many interesting properties. Especially, this work will be targeted on SWCNT-GO-based separation of hydrogen from carbon dioxide or from other gases. Our laboratory is focused on the topic of membrane separation for more than 15 years. Currently, we participate in two grant projects of the GA CR aimed at increasing the efficiency of membrane separation processes. This doctoral thesis is thematically linked to these projects. The thesis will be focused on the study of theoretical and experimental aspects of the transport of gases and their mixtures in GO and polymer-based membranes.

New polymers for membrane separations of difficultly separable mixtures

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

New possibilities for prediction of beer colloidal stability

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie

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One of the limiting factors of beer stability is its colloidal stability. The colloidal stability of beer is determined by the composition of the colloidal system of beer and is influenced by other factors. The aim of this work is to find such methods of characterization of the colloidal system of beer that would allow us to predict its colloidal stability during the time. Another aim of the work is to find the reasons for reduced colloidal stability in different kinds of beers.

New tool steels and their processing by non-conventional techniques

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Pavel Novák, Ph.D.

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Tool steels reach very good mechanical properties, especially hardness and wear resistance, due to the content of carbide-forming elements and suitable heat treatment. The used scale of the carbide-formers comprises W, V, Mo and Cr, while some of them (W, V) are currently listed as critical raw materials by European commission. So it is desirable to substitute them. The suibstitution of the alloying elements is the subject of research for many years for various reasons and led to the formation of many grades of currently used tool steels. However, some of the potential alloying elements cause problems during processing by conventional metallurgical routes. This work is focused on the development of a new tool steel alloyed by non-conventional elements, aiming to form the material, which will be interesting from the viewpoints of both the mechanical proporties and the sustainability. For the processing, the techniques comprising 3D printing by "Direct Energy Deposition" method, which application for high-carbon tool steel will be unique, and the powder metallurgy methods comprising melt atomization or mechanical alloying and spark plasma sintering.

Non-Traditional Yeasts with Potential to Produce Special Fermented Beverages

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology

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Today's beer market is very diverse and all producers are looking for ways to differentiate themselves. The aim of this work will be to find such yeasts that could be used for fermentation and at the same time provide an interesting and unique aroma of the final product in comparison with normal fermented beer. A secondary goal will be the search for a strain of microorganisms usable for the production of non-alcoholic beer.

Nonplanar unconventional pi-electron systems

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: RNDr. Irena Stará, CSc.

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The project is focused on the synthesis of extended (hetero)helicenes, bi(hetero)helicenes and (hetero)cycloarenes. In particular, the attention will be paid to chiroptical switches (based on exciton coupling), single-molecule electromechanical properties and charge transport in thin layers. Chirality issues will be central to all endeavours. A concept of the covalent template synthesis of pi-conjugated macrocycles will be explored.

Novel approaches in the elimination of cancer cells and bacterial biofilms

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology

Novel glycomimetics as inhibitors of galectins

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Kamil Parkan, Ph.D.

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Carbohydrates are structurally diverse group of natural products which play an important role in numerous biological processes, including immune regulation, infection, and cancer metastasis. Unfortunately, native carbohydrates suffer from inherently weak binding affinities and poor pharmacokinetic properties. To enhance their potential as drug candidates, glycomimetics have been developed. They are more drug-like compounds, which mimic the structure and function of native carbohydrates. However, the advancement in carbohydrate research is relatively slow due to the problems associated with the complexity of carbohydrates structures and the lack of general synthetic methods. This problem could be solved using photoinduced chemistry under catalytic conditions. The use of photocatalysis is heading towards “greener” chemistry, where enhanced synthetic efficiency through the reduction of unnecessary waste is attained. The goal of the PhD project will be the development of synthetic methodologies for the preparation of various biologically prospective glycomimetics with affinity towards galectins (Gal-1, Gal-3, Gal-7), which are involved in many physiological functions, such as inflammation, immune responses, cell migration, autophagy, and signaling.

Novel types of substitutions at boron and carbon atoms in carboranes and metallacarboranes directed to non-taditional drugs

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: RNDr. Bohumír Grüner, CSc.

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Aim of this topic is design of novel structural blocks that can be incorporated to design of non-traditional drugs

Nucleophilic Fluorination Reagents Based on Hypervalent Silicon Compounds

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry

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Fluorinated compounds play irreplaceable role in pharmaceutical chemistry and agrochemistry, whereas still higher emphasize is given to enantiomerically pure compounds. While nucleophilic fluorination belongs to basic methods of the synthesis of fluorinated compounds, asymmetric fluorination of sp3 centres and fluorination of aromatic ring still remain a challenge regarding chemo-, regio- and stereoselectivity. As a part of joint bilateral project, the work is aimed in the synthesis and applications of new more efficient and selective reagents based on hypervalent silicon compounds or fluoroimidazolidines. Asymmetric modifications of the reagents will use with advantage new chiral [2.2]paracyclophanes and triptycenes. Apart of experimental organic chemistry, 19F and 29Si NMR spectroscopy, as well as computational chemistry will be applied for the study of the synthesized compounds.

Nutraceuticals and foods that reduce oxidative and carbonyl stress

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Dr. Ing. Karel Cejpek

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The subject are components of food and nutraceuticals that are able to reduce the redox potential and the amount of reactive carbonyl compounds formed as products of sugars transformation. The active components can act as reducing agents (or different antioxidants) and reagents able to scavenge reactive carbonyl species (RCS) in both food and in vivo. RCS are formed during non-enzymatic browning reactions in food (Maillard reaction) and in vivo (glycation) as well as due to lipid oxidation. The goal is finding foods and nutraceuticals that may significantly suppress the above-mentioned kinds of stress promotors and identifying active compounds, which are behind these effects.

Oleogels for drug delivery

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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Oleogels, like hydrogels, are semi-solid materials that can contain up to 99 % of a liquid, which is solidified by a three-dimensional polymer network. While hydrogels contain as the liquid and the polymers are hydrophilic, oleogels contain oil and an oleophilic polymer network. Many APIs that are poorly soluble in water could potentially be formulated using oleogels and be either directly dissolved in the oil phase or form a particle depot that would dissolve in the oil gradually and act as a longer-lasting reservoir. The aim of this project is to evaluate the suitablitity of selected oleogel formulations for drug delivery applications from the point of view of manufacturability, drug release kinetics, drug stability, and biological compatibility. The application of oleogels will be demonstrated using several selected APIs both in vitro and in vivo.

On-line measurement and control of continuous pharmaceutical manufacturing

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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The manufacturing of pharmaceutical products is typically carried out batch-wise. While this makes sense for products that are manufactured only occasionally in small quantities, batch processes also have several drawbacks. These include excessive dead-times, need for cleaning to avoid cross-contamination, and generally poorer control over the product quality. By switching pharmaceutical manufacturing to a continuous mode, equipment utilisation can be increased theoretically to 100 %, the footprint of the facilities can be substantially reduced, and standard feed-back and feed-forward control schemes applied. A crucial component of continuous manufacturing processes is on-line measurement of key quality attributes such as particle size distribution, composition uniformity of granular blends, or moisture content. Advanced analytical instruments such as Near-Infrared probes can be used for this purpose. The aim of this project is to explore the on-line measurement and control methods for continuous pharmaceutical manufacturing in an industrial setting and combine them with computer simulation tools in order to optimize the overall process robustness and operability.

Optimization of Electrochemical Ferrates(VI) Synthesis

Department: Department of Inorganic Technology, Faculty of Chemical Technology

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The aim of this project is characterization of chemical and electrochemical oxidation processes taking place at the surface of an anode made of iron based materials in strongly alkaline solutions. Deeper understanding of mechanism of these processes allows to enhance efficiency of synthesis of Ferrate (VI) making it economically viable.

Optimizing the production of fermented foods

Department: Department of Food Preservation, Faculty of Food and Biochemical Technology

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The project will focus on the development and optimization of the production of fermented foods (meat, fruit and vegetable products). The basic factors affecting the quality and safety of fermented products are: starter cultures, quality of used raw materials, microbial contamination of raw materials, recipe, technological processes, fermentation conditions, packaging and distribution conditions. As part of the project, new recipes will be developed and the production of processes will be optimized, including selection and dosing of suitable starter cultures, packaging and distribution of fermented meat, fruit and vegetable products. Within the project, individual technological processes will be optimised, both in a pilot plant environment and at individual food manufacturers.

Particle Based Modeling of Diffusion, Rheological, Interfacial and Relaxation Properties of Polymers

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Juraj Kosek

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Dissipative particle dynamics (DPD) is a stochastic modeling technique for simulating of simple and complex fluids. It is being used to tackle hydrodynamic time and space scales beyond those available with molecular dynamics. DPD is an off-lattice meso-scale simulation technique considering particles moving in a continuous space, where particles represent whole molecules, segments of molecules or fluid regions, rather than single atoms. DPD gives access to simulation of polymer fluids with volumes up to 100 nm in linear dimension for up to a millisecond. This PhD project is at intersection of many challenges in chemical and polymer reactor engineering. Examples of these challenging problems are: · Diffusion flux supplying monomer(s) in catalytic polymerization is limited by finite molecular and/or segmental motion and not by constitutive equations analogous to Fick’s law. If this hypothesis is confirmed then it will provide a key to explanation of kinetic data obtained over many decades. And standard textbooks of chemical engineering will be changed. · Rheology of concentrated polymer solutions (e.g., polymer swollen by monomer(s)) is an open problem important to suspension polymerization or foaming of polyurethanes. · Diffusion of polymer segments and interfacial phenomena are a key to understanding of phase separation in individual latex nanoparticles in emulsion copolymerization producing high-value specialty products. · Systematic understanding of penetrant diffusion in polyolefins including its temperature dependence and interplay between diffusion and relaxation dynamics is another problem with a pool of available experimental data but insufficient underlying theories. PhD student will become familiar with not only polymer reaction and material engineering, polymer physics, physical chemistry, fluid mechanics and colloid science, but will also advance his/her mathematical modeling skills. The project will be conducted not only with the research team in our research laboratory, but also with partners from European companies and universities. This project is going to be supported by grant projects and contractual research. Info: phone +420 220 44 3296, office B-145, e-mail jkk@vscht.cz, web http://kosekgroup.cz

Penetration of coumpands into skin depending on their structure

Department: Department of Dairy, Fat and Cosmetics, Faculty of Food and Biochemical Technology
Theses supervisor: prof. Ing. Jan Šmidrkal, CSc.

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Components of cosmetic products penetrate to the different layers of skin. Depth of their penetration depends on their molecular weight and also on their polarity. Small and lipophilic molecules penetrate in deeper layers of the skin, while large and hydrophilic molecules remain in the surface layers of the skin. The aim of this thesis is determination of penetration depth of substances used in cosmetic products by two different methods – method of skin layer stripping and permeation method of using Franz cells.

Percolation oxidic structures based on heterojunctions: application in sensing of toxic gases

Department: Department of Physics and Measurement, Faculty of Chemical Engineering
Theses supervisor: prof. Ing. Dr. Martin Vrňata

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During recent years there is a remarkable progress in the development of oxidic gas-sensing structures. In the terms of electric properties - instead of "conventional" homogeneous resistors based on one oxidic phase, more frequently the heterojunctions are utilized, that are formed by grains of two different oxides with different bandgaps. Thus the sensitive layer of resulting sensor has a character of two- or three- dimensional percolation structure. To ensure the proper functionality of such a structure, two critical requirements have to be fulfilled: a) total separation of both oxidic phases; b) grain dimensions in the order of units of microns. On interaction of detected gas with the above described heterostructure, the energy-barrier height on heterojunction is modified and, simultaneously, dramatic modulation of conductivity of both phases occurs. As a result, the "integral" value of electric resistance of such a sensor is changed by several orders of magnitude. This thesis is focused on: (i) preparation of oxidic heterostructures by thermal oxidation method; (ii) characterization of gas-sensing properties of these sensors.

Pharmaceutical substances chirality identification from powder diffraction data

Department: Department of Solid State Chemistry, Faculty of Chemical Technology
Theses supervisor: doc. Dr. Ing. Michal Hušák

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Pharmaceutically interesting compounds are often not available in a form of crystals suitable for single crystal X-ray structure determination. The structure can be determined from powder - unfortunately standard experiment make chirality determination impossible. The main aim of this work will be to calibrate the crystal structure by adding an ion or cocrystallization partner with known chirality.

Pharmaceutical substances crystal structure solution by combination of data from ss-NMR, structure prediction and powder diffraction

Department: Department of Solid State Chemistry, Faculty of Chemical Technology
Theses supervisor: doc. Dr. Ing. Michal Hušák

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When we have no singe crystal diffraction data available we can solve the structure from alternative experiments. We can predict the structure and confirm the prediction by experimental and theoretical ss-NMR data comparison. The process can be combined with data obtained by powder diffraction. The target of this work is to test this synthetic approach for crystal structure solution.

Photochemical processes in astrochemistry

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

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The Thesis will focus on processes initiated by light in various astrochemically relevant molecules and system. In particular, the applicant will study ice particles and the role of high-energy radiation in astrochemistry. For more information, see http://photox.vscht.cz.

Photochemistry on the base of noble metals nanostructures

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Theses supervisor: Mgr. Oleksiy Lyutakov, Ph.D.

Photoelectrochemical systems for conversion of solar light

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: prof. Dr. Ing. Josef Krýsa

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A photoelectric chemical system involving a photoanode, photocathode, membrane and suitable ox/red couple allows the conversion of solar energy into chemical energy. The theme of this thesis is the investigation of possible systems for solar energy conversion with a focus on suitable photoanode and photocathode materials and their combination with suitable electrolytes. Part of the work will be the preparation of selected photoanode or photocathode materials (e.g. Fe2O3, ZnO, WO3, BiVO4, CuO, CuFeO2, etc.) and investigation of their behaviour during long-term photoelectric polarization.
Different methods of preparation (aerosol pyrolysis, spray pyrolysis, etc. ) will be used and the resulting films will be characterised (XRD, GDS, UV-VIS, BET, SEM) and their photo-electrochemical properties (open circuit potential, photocurrent, IPCE) evaluated. The attention will be given to the influence of composition, doping, crystalline phase, layer thickness and porosity.

Photoelectrodes for pollutant removal and hydrogen generation from water using solar light

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: prof. Dr. Ing. Josef Krýsa

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Production of hydrogen as an alternative energy source/carrier is becoming recently very important and intensively studied process. One of the promising options is direct production of hydrogen from water via solar light. Very important process is also removal of persistent pollutants in waters by advanced oxidation processes, one of them is photo-electrochemical oxidation. The topic of the present thesis is the preparation of semiconductor photoanodes and photocathodes (eg. WO3, BiVO4, CuO, CuFeO2, atd.) for photo-electrochemical water splitting or photo-electrochemical removal of persistent pollutants. Different methods of preparation (aerosol pyrolysis, spray pyrolysis, etc. ) will be used and the resulting films will be characterised (XRD, GDS, UV-VIS, BET, SEM) and their photo-electrochemical properties (open circuit potential, photocurrent, IPCE) evaluated. The attention will be given to the influence of composition, crystalline phase, layer thickness and porosity. The best photoanode and photocathode layers will be applied in the tandem solar photo-electrochemical cell and its efficiency for water decomposition to hydrogen and oxygen by sunlight will be determined.

Physico-chemical properties and biological activities of chocolate and confectionery with a fortified formulation

Department: Department of Carbohydrates and Cereals, Faculty of Food and Biochemical Technology

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The effect of value-added materials on the physico-chemical properties and biological activity will be monitored on model samples of chocolate and selected confectionery. Wood-decay mushrooms and medicinal herbs or their extracts will be used to fortify chocolate and selected confectionery. The aim of the work will be to verify, in particular, the extent to which the technological behavior of fortified materials changes using rheology, differential scanning calorimetry and X-ray diffraction. At the same time, the biological activities of fortified products will be monitored using adequate approaches.

Physiologically beneficial substances formed de novo during food processing

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Dr. Ing. Karel Cejpek

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The subject are physiologically desirable substances formed by complex non-enzymatic browning reactions during food processing. The research is focused on the products contributing to increased redox stability and decreased levels of oxidative stress-inducing carbonyl compounds, in both food and human body. The goal is finding the optimum conditions for the formation of these protective substances in processed foods and designing a procedure for the production of functional foods by the addition of suitable precursors before processing.

Plasmon- and electro-chemical active materials for relevant chemical transformations

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Theses supervisor: Mgr. Oleksiy Lyutakov, Ph.D.

Polyamide nanocomposites

Department: Department of Polymers, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: prof. Ing. Jiří Brožek, CSc.

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The work is focused on the preparation and characterization of novel hybrid materials based on layered inorganic fillers (layered silicate, double hydroxide and graphene) and polyamide 6. These materials will be prepared by in situ polymerization of hexano-6-lactam in the presence of fillers or by melt blending of components.

Polymer electrolytes for energy conversion devices

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: Ing. Jaromír Hnát, Ph.D.

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Polymer ion selective materials are well established in the many technologies including the environment protection, food industry and large scale production of the basic chemical substances. Energy conversion devices represent the recent but sharply growing field of the ion selective membrane utilization. The work is focused on the complex characterisation of the physio-chemical and electrochemical properties of the developmental ion selective polymer electrolytes.

Polymer materials for industrial 3D printing

Department: Department of Polymers, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Antonín Kuta, CSc.

Polymer-based membranes for highly selective removal of CO2 from biogas

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: doc. Ing. Petr Kočí, Ph.D.

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Membrane-based gas separation technology has contributed significantly to the development of energy-efficient systems for natural gas purification. Also CO2 removal from biogas, with CO2 contents exceeding 40% has more recently known rapid growth and development. Major challenge of polymer membranes for gas separation is related to their susceptibility to plasticization at high CO2 partial pressures. CO2 excessively swells the polymer and eases the permeation of CH4, thus reducing the selectivity. Membrane crosslinking is one of the best ways to prevent the plasticization. Mixed matrix membranes (MMMs), consisting of fillers homogeneously dispersed in a polymeric matrix aim at combining the processibility of polymers and the superior separation properties of the porous fillers. Metal-organic frameworks (MOFs) are such materials which have attracted considerable attention due to their tailorable functionality, well-defined pore size, pore tunability and breathing effects. MMMs for biogas upgrading will be prepared with increased permeabilities by choosing proper MOF/polymer combinations and modifying the thermal treatment, employing core-shell MOF materials with high bulk porosity and a selective shell layer.

Polymer-bound reactive oxygen species precursors for cancer therapy

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Theses supervisor: Mgr. Miroslav Vetrík, Ph.D.

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Radiation therapy applies ionization radiation to cancer tissue to elicit the reactive oxygen species (ROS) production to kill the cancer cells. The radiation treatment can be boosted by application of radiosensitizers. The aim of this thesis is to prepare a polymer material that is able to deliver artificial ROS into the cancer cells or deliver precursors that will trigger the ROS generation at the place of action. Moreover, specific hypoxic markers can be utilized for active targeting to hypoxic tumor tissue. The student will design and prepare polymer systems which will be releasing ROS as: superoxide, peroxides or singlet oxygen in desired cancer site. The project is highly multidisciplinary, it includes polymer and organic syntheses, characterization techniques such as FTIR, 1-H 13-C NMR, SEC, DLS, SAXS and SANS. Moreover, the student can participate on biological studies which will be performed on collaborating workplace. If the student is interested in, it is possible to make part of the study at collaborating workplace in France within the program “double degree PhD”, the deadline is February 14, 2020 (see https://studium.ifp.cz/cz/doktorandi/barrande-fellowship-program/ ). If you are interested in this option, please contact the supervisor as soon as possible.

Polymeric nanomaterials for neoadjuvant multimodal therapy of advanced neoplastic diseases

Department: Department of Solid State Engineering, Faculty of Chemical Technology

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The main aim of this work will be the development of new multi-component biocompatible and non-immunogenic polymer-based nanotherapeutics and nanodiagnostics adapted for multimodal advanced therapy of neoplastic diseases. The dissertation will be based on the preparation of new polymeric nanomaterials that will allow the controlled delivery of active therapeutic agents or tumor visualization for fluorescently navigated surgery. These nanomaterials will serve as a tool for multimodal neoadjuvant therapy based on sequential administration of chemotherapy and immunotherapy in combination with fluorescently navigated surgery. The work will focus on tailor-made solutions using covalent binding of active molecules with several functions: targeted transport of active molecules, their protection during transport against degradation and controlled release based on site-specific stimuli. The thesis will consist in the design, synthesis and study of physico-chemical and biological properties of polymeric materials. The applicant's knowledge and experience in organic or macromolecular chemistry is an advantage, along with the desire to learn new things in other fields, such as biochemistry. The work assumes close cooperation with cooperating biological teams in the Czech Republic and abroad.

Polysaccharides of wood decay mushrooms: isolation, structure and biological activities

Department: Department of Carbohydrates and Cereals, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Mgr. Andrej Sinica, Ph.D.

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The wood decay fungi are potential sources of biologically active compounds such as secondary metabolites: proteins, structural polysaccharides, terpenoids, polyphenols, etc. This dissertation will be focused on isolation and structural characterization of biologically active metabolites by spectroscopic, chromatographic and separation methods. Antioxidant, antitumor, immunomodulatory activities of selected compounds will be tested in cooperation with the Department of Biochemistry and Microbiology at University of Chemistry and Technology Prague.

Porous catalytic layers in structured reactors

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: doc. Ing. Petr Kočí, Ph.D.

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The work focuses on preparation and coating of porous catalytic layers in structured reactors such as honeycomb monoliths, filters, porous membranes and open foams. The aim is to intensify the reactor operation with respect to utilization of the catalytic material and mass and heat tranfer. Industrially relevant processes such as exhaust gas conversion, partial oxidation and reforming of methane will be studied. Morphology of the samples will be analyzed by electron microscopy (SEM, TEM) and X-ray tomography (XRT). Impact of the microstructure on the overall performance of the device will be tested in a lab reactor. The topic is supported by the leading catalyst manufacturer Johnson Matthey.

Possibilities of utilization of diamond electrodes in the wastewater treatment

Department: Department of Water Technology and Environmental Engineering, Faculty of Environmental Technology
Theses supervisor: prof. Ing. Jiří Wanner, DrSc.

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The aim of study is utilization of advanced oxidation processes and conductive diamond electrodes for removal of micropollutants and biologically active substances in wastewater. Research of electrochemical methods used for wastewater treatment and testing of these methods for selected types of pollutants in laboratory conditions will be the basis for design, implementation and optimization of a pilot plant using a cleaning cell with diamond electrode for field testing at a real WWTP.

Precipitation of calcium phosphates during interaction of biomaterials with simulated body fluids

Department: Department of Glass and Ceramics, Faculty of Chemical Technology

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The study will be oriented on precipitation of calcium phosphates from selected simulated body fluids. The aim is to experimentaly measure the kinetics of phosphates precipitation and describe it using chosen or newly developed physico-chemical models

Prediction and experimental determination of transport properties of mixed-matrix membranes

Department: Department of Organic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Pavel Čapek, CSc.

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The work is aimed at simulation and experimental determination of transport properties of mixed-matrix membranes that differ from each other in polymer and filler materials. In addition, the membranes containing different fractions of filler particles will be investigated. Statistical treatment of obtained data will accompany the experimental determination of permeability. Permeability will also be modelled on the basis of reconstructed microstructures of the membranes and transport properties of components forming the membranes.

Preferential interactions of osmolytes with soft matter

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Theses supervisor: RNDr. Mgr. Jan Heyda, Ph.D.

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Protein stability and association, membrane formation, solubility of chemically heterogeneous drugs and their partitioning between inner and outer cell environment are theoretically simple to describe, but in reality complex processes, which play an essential role in soft matter. These processes can be seen as results of competition of several driving forces [Dill]. More commonly, these forces compensate each other and are very finely balance at system equilibrium. Another approach to insight, and subsequent control of these processes employs the perturbation of the natural environment by the addition of cosolvents. These interactions might be net-attractive or net-repulsive, leading to enrichment or depletion of the additive in solute vicinity. However, the manifestation is different for small (osmotic properties) and large solutes (dialysis, partitioning), thus to obtain a generic view is rather challenging. In this thesis, the candidate will research the changes in chemical potential of various solutes in the presence of osmolytes and the implications on the solute state, i.e., conformation or phase [Heyda, Chudoba]. The investigation thus cover systems form single small molecules to monomer and similar polymer, up to macromolecular complexes, which naturally require employment of whole ensemble of theoretical approaches. On the simulation side, all-atom molecular dynamics simulations will be complemented by implicit solvent coarse-grained models [Chudoba, Roux]. Monte-Carlo simulations will be used for investigation of phase equilibria employing highly coarse-grained models. Simulation data will be complemented by statistical thermodynamic framework [Smith, Smith1], with the long term aim of derivation theory-based equations of state.

Preparation and biological activity of flavonoid metabolites

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology

Annotation

Flavonoids, as other food polyphenols, are subject to extensive metabolism in the intestine and liver. Biotransformation of flavonoids by the intestinal microflora leads in particular to the cleavage of ring C and the formation of simple phenolic compounds. The structure of the main intermediate of this cleavage is not yet fully experimentally confirmed. There are at least three options, chalcone structure, benzofuranone derivative and depside. All biotransformation products of the polyphenols by the intestinal microflora may also be subject to conjugation reactions such as sulfation, methylation or glucuronidation. The aim of this work is to prepare a series of potential intermediates and final metabolites of flavonoids in a quantity sufficient for their detailed characterization using spectral methods and their use as standards for metabolic studies by means of chemoenzymatic methods introduced in the Laboratory of Biotransformation. In addition, the end products will be evaluated for their biological potential by testing their antioxidant activity with in vitro assays. Thus, this interdisciplinary study will include methods of organic chemistry, chemistry of natural products, biochemistry, microbiology, molecular biology, experimental toxicology, and analytical chemistry.

Preparation and characterization of mixed matrix membranes for gas separation

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Dr. Ing. Vlastimil Fíla

Annotation

Gas membrane separation represents one of the perspective and energy saving alternative with respect to the present separation processes (PSA, TSA etc.). In the frame of this work the mixed matrix membranes, combining the perspective properties of the both, microporous and polymeric membranes, will be prepared and characterized. The microporous material e.g. ZIF-8, silicalite-1, ETS, FAU, TS-1, AFX, MOF will be used as filler and combined with polyimide matrix. The key issue of mixed matrix membranes preparation which needs to be solved is the adhesion and interface interactions of filler and polymer because of their effects on compactness and selectivity of membrane. The aim of this study is evaluation of different possibilities of microporous and polymer phase modifications with respect to the compactness of membranes and their selectivity and permeability in selected systems of hydrocarbons, CO2 and H2.

Preparation and characterization of silicon nanoparticles using non-thermal plasma technique

Department: Department of Physics and Measurement, Faculty of Chemical Engineering
Theses supervisor: RNDr. Pavel Galář, Ph.D.

Annotation

Since the observation of efficient room-temperature photoluminescence (PL) of silicon nanocrystals (Si-NCs) these nanostructures have attracted significant attention. Much effort has been made to develop optimal preparation techniques and post preparation treatments of Si-NCs that would provide sufficient amounts of Si-NCs bearing properties specifically designed for a particular application (solar cells, light generation, bioimaging, biology and medicine etc.). One of the most promising preparation/termination techniques of Si-NCs proved to be the application of non-thermal plasma (NTP, radio frequency or dielectric-barrier discharge). In contrast to other techniques, the application of non-thermal plasma is capable of synthesising orderly higher amounts of Si-NCs (about 1mg/min) lacking of chemical artefacts. Student will optimize the preparation of Si-NCs by non-thermal plasma. Student will be opimiting mainly composition and flow of working and carring gas, plasma source power and studing the influence of ambient conditions on SI-NCs properties. Properties of NCs will be characterized mainly by time integrated and resolved photoluminescence spectroscopy and EDS.

Preparation and crystal growth of scintillating materials based on alkali halides and study of new doping concepts

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology

Annotation

The topic of this work will be focused on the preparation and crystal growth of scintillating materials based on hygroscopic alkali halides, e.g. sodium iodide (NaI), cesium iodide (CsI), doped with monovalent cations (e.g. Tl), by vertical Bridgman and micro-pulling-down methods. The work will be performed in collaboration with the company NUVIA a.s. and Physical Institute, ASCR. The study will aim on the optimization of the growth technology of bulk NaI:Tl single crystals prepared by the vertical Bridgman method and on the study of new co-doping concepts in alkali halides (NaI:Tl) by cations of higher valence state, e.g. Sr, Ca, Eu2+. The composition (elemental and phase) of prepared materials and their crystals as well as the thermal, optical, luminescence, and scintillation properties will be studied. The goal of this work is to improve the optical quality of prepared crystals (for industrial applications), the optimization of the crystals composition to improve the scintillation parameters such as high light yield and fast scintillation response. This work will be realized partly under employment contract with the possibility of future career development at NUVIA.a.s.

Preparation and electrochemical studies of polymer layers for bioanalytical applications

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

Preparation and structural-functional analysis of virus-like and non-viral nanoparticles

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: prof. Ing. Tomáš Ruml, CSc.

Annotation

The work is focused on the preparation of nanoparticles by self-assembly of viral structural proteins and on the basis of modified organic and inorganic structures. The particles will be surface modified to target pathogenic bacteria or tumor cells. Their ability to interact with target organisms for use in inhibiting, imaging and modulating cellular activity will be evaluated.

Preparation of biodegradable (co)polyesters and study of their degradation

Department: Department of Polymers, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: Ing. Lenka Malinová, Ph.D.

Annotation

The work will be focused on preparing of biodegradable and biocompatible (co)polymers which will be prepared by (co)polymerization of cyclic esters where biogenic metal initiators (e.g., magnesium, calcium) will be used to initiate (co)polymerization. From the prepared (co)polymers, foils and micro-/nanofiber layers will be prepared. The relationship between the properties of the spunbond material (copolymer composition, molar mass, thermal properties, concentration of solution, solvent type) and parameters of spinning process (applied voltage, electrode distance from the collector, electrode type) on the quality of the fiber layers and fiber diameters will be searched (in cooperation with an external workplace). Finally, susceptibility of the prepared materials to degradation will be tested.

Preparation of drug delivery carriers for treatment of rheumatoid arthritis

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Rheumatoid arthritis (RA) is a chronic autoimmune disorder, mainly affecting joints that are identified by inflammation and swelling of the synovium of the joint. Today, apart from the conventional synthetic disease-modifying antirheumatic drugs (DMARDs), a number of biological DMARDs have been approved. Recently the first targeted synthetic DMARD has also been approved, while other targeted compounds are in the development phase. Particularly interesting is group of drugs which are based on gold complexes. Despite their promising properties, these drugs has low solubility in water and thus low bioavailability. Therefore, within this project we plan to investigate possibility to prepare more soluble compounds of gold complexes using crystal engineering approach as well as formulate these drugs into various nanocarriers. Combination of various preparation and analytical techniques will be used to investigate stability of gold complexes. In the next step we will investigate the impact of encapsulation matrix or complexation partner on the dissolution characteristics of gold complexes.

Preparation of electrospun nanofibrous carriers for deposition of catalyst nanoparticles and immobilization of living cells

Department: Department of Organic Technology, Faculty of Chemical Technology
Theses supervisor: Ing. Karel Soukup, Ph.D.

Annotation

The main aim of the proposed PhD project is focused on assessment of the specific properties of the novel polymeric nanofibrous materials prepared by electrospinning technique in applications as effective catalyst supports and promising scaffolds for living cells (in cooperation with the University of South Bohemia). Other targets of this project will be specifically addressed to the optimization of the electrospinning process parameters with respect to properties of the prepared supports, deposition of the catalytically active centers or living cells. Additionally, assessment of the effect of support microstructure on the phenomenological kinetics of model reactions and adhesion of the cells will be performed as well. Studied model reactions will involve both reaction in gas-phase (the total oxidation of volatile organic compounds) and liquid-phase (selective hydrogenation of unsaturated hydrocarbons). Required education and skills:
• Master degree in chemical technologies, chemical engineering or biotechnology;
• methodical and creative approach to work;
• willingness to perform experimental work and learn new issues.

Preparation of nanostructured materials for C2-C3 hydrocarbon generation from CO2 in electrochemistry

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Theses supervisor: RNDr. Vladislav Dřínek, CSc.

Annotation

Reduction of waste gaseous products in industry anticipates a capture or other form of CO2 decrease. Simultaneously, a burst production of electrical energy from wind farms and/or photovoltaics parks enables an (electrochemical) generation of simple hydrocarbons from a waste CO2. Therefore, it is advisable to search for novel electrode materials for effective electrochemical reactions. The materials will be based on selected metal silicides and germanides prepared in nanostructured form. The doctoral student will synthetize the materials using laser chemistry and CVD and study by means of analytical techniques available in laboratory.

Preparation of olefin block copolymers

Department: Department of Polymers, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Jan Merna, Ph.D.

Annotation

The thesis will be focused on the preparation of block copolymers based on olefin and diene monomers by coordination copolymerizations. The focus will be on copolymers with blocks of different properties, e.g. hard and soft blocks. Principles of coordination chain transfer polymerization and chain-shuttling polymerization will be applied. Introduction of polar functional groups will also be of interest. The work will include organometallic synthesis of catalysts, polymerization experiments in presence of various transfer agents and full characterization of obtained polymers.

Preparation of organic single crystals based on pharmaceutical materials and characterization of their properties

Department: Department of Solid State Chemistry, Faculty of Chemical Technology
Theses supervisor: Ing. Jan Čejka, Ph.D.

Annotation

Topic of this work will be focused on preparation and crystal growth of volatile and subliming organic compounds with accent on active pharmaceutical ingredients (polymorhps, solvates, salts or cocrystals) from gaseous phase and solution in order to prepare large-volume crystals thereof. The work will be focused on sublimation apparatus design and optimization of the crystal growth procedure of organic compounds from gaseous state using horizontal two section resistive furnace with separate temperature regulation. This method is based on transferring (subliming) the starting material into gaseous state in the storage part of the growth system and its subsequent crystallization (desublimation) in the dedicated coolest place of the system. Setting of suitable temperature regime in both furnace sections defines and controls the growth rate of growing crystal. An integral part of the work comprises: (i) a new crystallization container divided into storage and crystallization stages will be designed, (ii) growth conditions (temperature gradient in the furnace, temperature regimes) will be optimized, and (iii) the physical, structural and optical properties of the prepared crystals will be characterized. Second part of this work will be focused on preparation of crystals of model organic compounds grown from solution. The solvents influence on the crystallization process and final crystal quality will be evaluated. Results of characterizations performed on crystals obtained from diverse procedures as well as of used procedures will be compared.

Preparation of polyaromatics for molecular optoelectronics

Department: Department of Polymers, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Jan Storch, Ph.D.

Annotation

The aim of this Ph.D. thesis will be the synthesis and characterization of appropriate helicene/phenacene derivatives for the preparation of their functional layers and their study. Such systems can serve in electrochemical detection or as active layers in OLED devices. Requirements and conditions:
• Master degree in organic chemistry or technology;
• systematic and creative approach to work;
• team work ability;
• employment contract at ICPF.

Preparation of porous materials for enzyme immobilization and their application in biocatalysis

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Application of enzymes for preparation of various biomolecules is ever growing field. This is due to low energy demand and high specificity of the catalyzed reactions. Significant disadvantage of this technology is loss of enzyme activity and removal of the enzyme from the reaction system. Possible solution for these problems is enzyme immobilization onto a suitable support. In this project we will use recently developed technology of reactive gelation suitable for synthesis of 3D porous material with tunable porosity and pore size distribution combined with covalent attachment of enzymes to the surface of prepare material. To understand impact of enzyme-surface interactions we plan to use various building blocks made out of polymers or silica combined with different spacer molecules placed between porous material and enzyme. In this way we will be able to study impact of these interactions on the enzyme activity and yield of biocatalytic reaction. Once the system will be established, we will further investigate effect of process conditions (dispersed porous aggregates vs. packed bed), effect of ionic strength, pH, substrate concentration etc., on the yield and selectivity of the performed enzymatic reaction. In the last part of the project, the system will be extended towards multiple consequent enzymatically catalyzed reactions. Student will be involved in the preparation of porous material and its characterization as well as in the surface functionalization with suitable enzyme anchoring moieties. Consequently, student will be responsible for enzyme attachment and testing of its activity and yield. Combination of several analytical techniques including SEM, light scattering, BET measurement, Hg porosimetry, XPS, HPLC etc., will be used to characterize material properties and test behavior of immobilized enzymes.

Preparation of solid surfaces with a molecular receptor covalently anchored, and studies of their usability in sensors construction.

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering

Annotation

The aim of this work is to modify the chemical structure of molecular receptors functional in solution so that they can be covalently attached to a solid surface or prepare a polymer. Study the functionality and usability of such materials for sensor construction.

Preparation of stimuli-responsive polymer nanomedicines using microfluidic nanoprecipitation – the in vitro and in vivo performance under simulated physiological conditions

Department: Department of Polymers, Faculty of Chemical Technology
Theses supervisor: Mgr. Eliezer Jager, Ph.D.

Annotation

Nanomedicines gain much more relevance in biomedical applications if they are tailored to be degradable in response to certain external stimuli. Such stimulus may be enzymatic removal of protecting groups, a pH change, light or the presence of reactive oxygen species (ROS) in cancer. Herein, imbalances on the cells micro-environment (pH changes, ROS production) will be explored for the synthesis of stimuli-responsive polymers and block copolymers. Inspired by the ease and effectiveness of the self-assembly of amphiphilic block copolymers in solution, several polymer nanomedicines, i.e., micelles, nanoparticles and vesicles will be designed to display tunable stimuli degradation in the presence of physiologically relevant changes in pH, temperature or ROS concentrations and will be prepared by microfluidic nanoprecipitation. This technique allows us the production of uniform particles with controllable size, shape and surface chemistry in a reproducible manner. The produced polymer self-assemblies will be characterized using standard scattering techniques (DSL/SLS/ELS, SAXS and SANS) and by microscopy. The effectiveness of the polymer nanosystems will be evaluated in in vitro and in in vivo models simulating the physiological balanced and imbalanced of the microenvironment.

Procedures for design and installation of relief valves in the refinery-petrochemical industry

Department: Department of Organic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Tomáš Herink, Ph.D.

Annotation

In the field of industrial safety, relief valves hold a key and absolutely irreplaceable role. They are the last autonomous barrier, which are able to protect technological equipment against overpressure and thus avert extraordinary situations leading often to serious accidents. However, the inappropriate design, setting and operation of these technological elements can paradoxically contribute to the loss of integrity of the equipment during releasing pressure from the protected pressure equipment and cause an even more serious situation. Although the role of relief valves in industrial practice is absolutely indispensable, the relevant theory of their design, selection and appropriate installation is not known to the wider technical community in the field of chemical technology design. The doctoral dissertation thesis will focus on the comparison of international standards and the so-called "best engineering practice" and corresponding recommendations for the design and selection of relief valves. The findings will be compared with industrial practice in the field of refining and petrochemical technologies with different years of installation and commissioning from the 70s of the 20th century to the present. An analysis will be performed on individual case studies, including a detailed assessment of the availability and completeness of operational documentation, definition of individual relieve scenarios, capacity design of a relief valve or a set of relief valves and appropriate design and arrangement of relevant piping systems as well. The calculations will be performed using mathematical models in steady state and dynamic mode in Aspen Hysys, which also contains a specialized tool for assessment and designing relief systems for pressure vessels. Individual tools will be used for calculations and will be evaluated in terms of complexity and usability for common engineering practice. The determination of frequent shortcomings and deviations from standards and recommendations in the relief valve systems design and the resulting risks evaluation will be the output of the doctoral thesis. Basic recommendations for industrial practice will be defined. The verification of relief valves and their modifications on operating technologies and at the same time, new relief valves designing procedures will be described. The individual recommendations will be aimed at minimizing operating and investment costs in compliance with all safety elements and rules.

Process modeling of sugarhouse with bioethanol and biogas production

Department: Department of Carbohydrates and Cereals, Faculty of Food and Biochemical Technology

Annotation

The operation of the modern sugar factory is based on the production of white sugar and of other products such as bioethanol, biogas, green syrup or molasses, dried beet pulp and fertilizers. It is a combination of classical sugar production starting with extraction, epuration, evaporation and refinery, as well as related processes such as fermentation, distillation or separation using ion exchangers and molecular sieves. All these processes are interconnected into a global process unit aimed at minimizing the consumption of energy, fuels and solvents. The work will be focused on creating a modular process diagram describing the entire sugar production with related processes. The aim is to create a static or dynamic model based on mass and energy balances using existing software environment (AspenTech, Sugars, Matlab) or own developed computing environment.

Process scale-up of pharmaceutical spray drying

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

Annotation

Spray drying is versatile method for converting solutions, suspensions or pastes into dry, free-flowing powders in the pharmaceutical, food and nutraceutical industries. During product development, the formulation and process variables are typically optimised using a laboratory-scale spray dryer, and the process is then transferred to a pilot or full manufacturing scale. However, it is notoriously difficult to maintain the same particle properties using spray dryers at different scales, which often necessitated long and expensive trials to be carried out at the large scale. The aim of this project is to develop a robust methodology for spray drying process scale-up in an industrial pharmaceutical setting. The main focus will on the transferability of particle size and particle morphology, as these two parameters are known to be the most sensitive to parameters that vary between the laboratory and the manufacturing scale spray-dryers: the initial droplet size and the drying conditions (temperature, gas flowrate, and residence time in the drying chamber).

Processing of chemical sensor signals using artificial intelligence algorithms

Department: Department of Physics and Measurement, Faculty of Chemical Engineering
Theses supervisor: prof. Ing. Dr. Martin Vrňata

Annotation

One way to improve the selectivity and detection properties of modern chemical sensors is to use artificial intelligence algorithms. The topic of the thesis is to design, prepare and test new approaches for processing and extracting data from multi-component sources such as GC / IMS spectrometer, sensors and sensor arrays with response in the visual, infrared and radio-frequency fields of the electromagnetic spectrum. The solution assumes usage of hardware acceleration of data processing and software-defined radio.

Processing of human milk into nutrition products of infants with specific nutritional requirements.

Department: Department of Dairy, Fat and Cosmetics, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Ladislav Čurda, CSc.

Annotation

Human milk is considered an ideal source of nutrition for infants. However, in certain cases, it appears that the composition needs to be adjusted for the best development of the infant, especially in the case of preterm infants. This usually involves increasing protein intake, adjusting the ratio of protein and energy, possibly also mineral substances.. Fortification with cow's milk products is possible, but breast milk fortification is better tolerated. Donated milk can be used to advantage for this fortification. The aim of this work is to design of human milk processing into a form suitable for fortification. The procedures used must be as gentle as possible in order to preserve the biologically active substances to the maximum, while ensuring the safety of the products. Human milk components that are not used for fortification, such as fat and oligosaccharides, are also valuable. Another goal of the work is therefore to suggest their use.

Processing possibilities of materials derived from thermal cracking of waste polymers

Department: Department of Organic Technology, Faculty of Chemical Technology
Theses supervisor: Ing. Adam Karaba, Ph.D.

Annotation

Processes design to dispose of waste polymer material, such as plastics and rubber, are being currently introduced in the industry. In these processes, the material undergoes slow pyrolysis or gradual thermal cracking of original polymers and potentially usable materials are formed. For example, condensed gasses from the process represent a certain kind of fuel and are currently co-incinerated with other fuels in powerful boilers. But these material streams can represent a significant source of hydrocarbon for the industry. A potentially better way is to engage such a material stream into an appropriate node in the refinery-petrochemical complex. Specifically, the steam-cracking process has the potential to transform the stream into valued products. This would replace current energetic use by the material use, which is more valuable in terms of resources usage and usually is economically more beneficial. The composition of these condensates is strongly dependent on the input material and conditions of the primary thermal treatment and therefore the composition varies in a broad range. These condensates may contain valuable hydrocarbons fractions, but also oxygen-, sulfur-, and nitrogen-containing organic compound, halogens, metals in the form of salts, even solid particles which may not evaporate under standard operating temperatures. Therefore, such a material stream cannot be connected directly to the processing, but necessarily will require some form of pre-treatment. Moreover, it is necessary to evaluate the potential impact of these impurities presence on the following process (and next following processes) from many different points of view, e.g. catalyst poisoning in following processing steps, contamination of final product or corrosion, of the equipment.

Product Life Cycle Cost Analysis

Department: Department of Environmental Chemistry, Faculty of Environmental Technology

Annotation

The doctoral thesis assesses product value from the perspective of its whole life cycle, considering its setting in production, trade, regulatory and utility systems. Particular attention is given to the dynamics of these systems and to the optimization process in capital budgeting .

Production of alcohol-free beer in the conditions of a mini-brewery

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnology

Annotation

Currently, two trends are recognizable in brewing. The first is the rapid development of microbreweries. The second trend is the increasing production of non-alcoholic beers, which are not yet produced in mini-breweries. The aim of the work is to research and development of technology for the production of non-alcoholic beers in mini-breweries.

Production of antibacterial peptides from marine organisms and evaluation of their biological activity

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: prof. Ing. Tomáš Ruml, CSc.

Annotation

Design of bacterial expression system for production of existing antibacterial peptides identified in the laboratory of prof. Stensvåg at University in Tromso. Firstly, it is necessary to overcome the toxicity issues either by fusion with bulky protein or secretion achieved by fusion of the peptides to export sequence. Next step is upscale to massive production and purification for functional studies (pull down assay with bacterial cell lysate). Isolated products will be used for analysis of biological activity targeted against bacterial and yeast cells, including biofilms and determination of immunomodulatory effects. Subsequently it is planned a study of mechanisms leading to inhibition.

Properties and structure of rapidly solidified aluminium alloys with natural alloys

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology

Annotation

Rapidly solidified aluminium alloys with transition metals have excellent mechanical properties and elevated thermal stability when compared to conventional alloys. In this work, the alloys prepared by alloying aluminium by different amount of natural alloys obtained by reduction of polymetallic ore will be studied. Structures, mechanical properties and elevated temperature behaviour of these materials will be described. Study of these materials and their properties will enable the design of technology to obtain materials with the required properties from natural sources.

Properties of non- starter lactic acid bacteria

Department: Department of Dairy, Fat and Cosmetics, Faculty of Food and Biochemical Technology

Annotation

A wide consortium of microorganisms is used in the production and maturation of semi-hard and hard cheeses, the most important component of which are lactic acid bacteria (LAB). These are used both as starter and adjunct cultures and enter the process as so-called non-starter lactic acid bacteria (NSLAB), which mainly include facultatively heterofermentative lactobacilli and enterococci. The influence of these bacteria is strain specific and influenced by the technological context and interactions with other microorganisms present in cheese. From the NSLAB group, new strains with significant functional properties can be selected and their potential as adjunct cultures with a positive effect on the ripening of the given types of cheese can be used. On the other hand, they can cause defects in cheese (gas production, production of biogenic amines) or be a reservoir of transferable antibiotic (Atb) resistance genes. Monitoring the transmission of Atb resistance genes in the food chain is one of the current trends in food safety control. This issue is described in more detail in defined cultures of LAB or in probiotic strains, but little data is known about NSLAB resistance. The aim of the PhD thesis will be the isolation and characterization of NSLAB strains from raw milk, cheeses made from raw and pasteurized milk in terms of Atb resistance and other functional (technologically important, protective and probiotic) characteristics. The risk of NSLAB as a potential reservoir of Atb resistance genes will be assessed. Suitable strains of facultatively heterofermentative lactobacilli with comprehensively documented characteristics will be deposited in the Collection of Dairy Microorganisms Laktoflora and verified in experimental productions of semi-hard cheeses.

Protective shields for autonomous systems against electromagnetic interference

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering

Annotation

The rapid advent of autonomous systems such as robotic assistants, drones or self-driving vehicles has inevitably brought with it an increase in the use of positioning devices, such as microwave sensors, or advanced lidar, radar or radio technology. This also increases the likelihood of the occurrence of undesired interferences of this electromagnetic wave with the integrated circuits of the autonomous device, which may in turn lead to an increased probability of the occurrence of dangerous phenomena, including accidents and loss of life.
The aim of this work is therefore to develop new materials for the attenuation of electromagnetic interference and to apply them as protective shields in the operating area of the electromagnetic spectrum of existing positioning systems. The work will focus on the search, synthesis and characterization of suitable electrical and magnetic materials and their nanostructured analogues and the subsequent design, manufacture and testing of new lightweight and flexible shields. Part of the work will also be modelling and evaluation of the shielding efficiency of protective shields in simulated and real conditions of operation of autonomous systems.

Příprava slitin na bázi Al se slitinami z hlubokomořských přírodních zdrojů a jejich korozní odolnost

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology

Annotation

Deep sea manganese nodules are formed by Mn and Fe oxide/hydroxides with minor amounts of critical elements like transition metals (TM) and rare earth metals (RE). The traditional way of processing this natural source is to separate the individual metals. This work is focused on innovative strategy of deep sea nodules utilization: a rough metallic alloy will be obtained by their reduction of natural mineral sources and it can be used for production of Al-based alloys. These alloys will be prepared by casting and extrusion with subsequent processing by rapid solidification and mechanical alloying, followed by spark plasma sintering compaction. Their microstructure and chemical-physics properties will be characterized and compared to commercial Al-alloys, which are widely used for different technological and industrial applications, due to their lightness, good mechanical properties and their low cost. Furthermore, considering all these applications, these metallic materials have a great interest in terms of corrosion performances in critical exposure conditions, therefore these studies will be performed as well.

Quantum-chemical modeling of catalysts for olefin living coordination polymerizations

Department: Department of Polymers, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: doc. Ing. Jan Merna, Ph.D.

Annotation

The goal of the work is to calculate geometries of complexes suitable for living coordination polymerizations and their most common reaction coordinates using DFT method. The results of the work should allow one to predict influences of steric and electronic effects of ligand structure on the extent of transfer and termination reactions and help to find the catalyst with both “ideal” living behavior and high polymerization activity at the same time. Another goal of the work is to study the mechanism of catalytic polymerizations by modeling of catalysts spectra. Where possible, calculated data will be correlated with experimental results and the general validity of the obtained theoretical results will be evaluated. The thesis will be elaborated in collaboration with experts in the field of QC calculation (IPF Dresden, IPC UCT).

Quorum sensing and its role in adaptation and virulence of Campylobacter jejuni

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie

Annotation

Despite its fastidious nature, Campylobacter jejuni is continuously reported as the most common cause of foodborne zoonoses. Short genome with simultanously high level of adaptability of C. jejuni suggest that it is capable of rapid change of gene expression resulting in transition from a resilient but metabolically attenuated form outside a host into a virulent and rapidly multiplying form inside a host. This adaptability could be explained by extensive use of quorum sensing systems (QS). The main aims of the thesis involve investigation of the role of QS in lifecycle of C. jejuni, with an emphasis on identification of regulatory pathways mediated by acyl homoserine lactones. Significant part of the thesis will be dedicated to establishing the role of a host-like environment in signalling and pathogenicity of C. jejuni.

RNA metabolism related to the control of gene expression in the oocyte and embryo.

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Michal Kubelka, CSc.

Annotation

Fully grown oocyte utilizes only transcripts synthesized during earlier development. Mechanisms of mRNA metabolism in the mammalian oocyte are still far from being fully understood. In the first meiotic division, shortly after nuclear envelope breakdown, translational hotspots develop in the chromosomal area and in a region which previously surrounded the nucleus. This hotspot is controlled by the activity of the mTOR/4F axis. We suppose that the localization of specific mRNAs and their in situ translation is essential for the generation of developmentally competent oocyte. Thus, the objective of the current project is to investigate translation regulation and polysome profiling of the oocyte after NEBD. We will test our hypothesis that translation of specific mRNAs is essential for meiotic progression before first polar body extrusion. This represents a first attempt to unveil novel regulators of mTOR/4F axis and will add substantial information concerning translational control of specific transcripts after NEBD in order to understand molecular physiology of mammalian oocyte. The aims of project: High-throughput translation analysis after resumption of meiosis in the mammalian oocyte. Regulation of the mTOR/eIF4E pathway after nuclear envelope breakdown..Translation and genomic stability in the mammalian oocyte.Main methods: Next Generation Sequencing, biochemistry, molecular biology, FISH.

Rate-based model of multi-component distillation. Experimental verification.

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: doc.Ing. František Rejl, Ph.D.

Annotation

The current design of rectification columns is based mostly on experience and is essentially empirical in nature. The development of computer technologies has brought some improvements by introducing of the so-called "rate-based" models using numerical integration of the differential momentum, energy and mass balances. The unavailability and unreliability of the corresponding transfer coefficients characterizing the rate of the processes is a major obstacle to their wider use. Current methods of their acquisition – transfer from absorption conditions to distillation ones and using the analogy between heat and mass transfer is risky and requires the use of large safety factors in the design. Also, the Maxwell-Stefan approach to the calculation of the interfacial mass flows from the transfer coefficients obtained for the respective binary systems, which is used to calculate the coefficients in multi-component mixtures, has not yet been experimentally verified. There has been no method for direct determination of the transport coefficients under distillation conditions. At our workplace, a methodology for the direct determination of transport coefficients during distillation has been developed and successfully tested, thus significantly strengthening the possibility of critical evaluation of current procedures for their determination. The aim of the dissertation is to verify the Maxwell-Stefan approach to the calculation of mass transfer coefficients in multi-component mixtures from binary coefficients. The mass transfer coefficients measured in the three binary mixtures forming the ternary mixture, e.g. methanol / ethanol / 1-propanol and the concentration profiles along the packed bed measured for the ternary mixture will be used for verification. The ultimate goal of this research is to refine the design of the columns based on simulation rate-based models using mass transfer transport coefficients measured directly in the rectification column.

Rational design of flavin photocatalysts

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: prof. Ing. Radek Cibulka, Ph.D.

Annotation

Visible-light photocatalysis is in the forefront of interest as it allows new chemical transformations not accessible by conventional methodologies. One of the most promising classes of organic photocatalysts are flavins derived from prominent natural chromophores like FMN and FAD. General trends in photophysical and electrochemical properties will be studied in series of flavin derivatives with the aim to establish general approaches to design efficient, sustainable and stable flavin catalysts for applications in photoredox chemistry like C-H activations and photoreductions.

Rational design of oxides for anodic electrolytic reactions

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: doc.Ing. Petr Krtil, CSc.

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The work will focus systematically approach to description activity and selectivity of oxide materials in gas evolving anodic processes namely in oxygen and chlorine evolution. Primary attention will be paid to the behavior of modelf binary in the systems based on Ru-Ti-Me (Me= transition metal) identified as prospective materials in computational studies. General relationships between the local structure of the active sites on oxides and their activity in electrocatalytic processes will be formulated and subsequently used in formulation of novel class of anodic electrocalytst.

Reactivity of chloropropanediol and glycidol esters in foods

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Dr. Ing. Marek Doležal

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The discovery of ester-bound 3-chloropropane-1,2-diol (3-MCPD), 2-chloropropane-1,3-diol (2-MCPD) and glycidol in refined edible oils and other foods has initiated their monitoring in many European Union countries. The work will be focused on the study of yet insufficiently investigated reaction mechanisms leading to the formation and degradation of these compounds. Study will take place in model systems as well as in food. Knowledge of mechanisms, products and reaction kinetics of formation and decomposition under various conditions (water activity, pH, temperature) can help to predict concentrations of these process contaminants in real matrices and help to find suitable detoxification processes.

Reactors for in-vitro organs (Bioengineering of in-vitro organs)

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programmes: Biotechnologie, Biotechnology
Theses supervisor: Ing. Gabriela Kuncová, CSc.

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Currently, vast failures of organs, such as liver, lungs, kidney, or the heart might be treated only by a transplantation. Due to critical shortage of donor organs great research attention has been focused to tissue engineering, which employs elements including cells, scaffolds, and growth factors to fabricate functional organs in vitro. As scaffolds have been used both, decellurized organs and artificial porous materials. The aim of the project is a research of reactors for in-vitro cell seeding and cultivation of scaffolds. The study will be done in cooperation with institutions preparing natural and artificial scaffolds, Biomedical Center of Faculty of Medicine of Charles University in Pilsen and Institute of Macromolecular Chemistry of the Czech Academy of Sciences. Experimental work will comprise a study of permeability of scaffolds using non-living particles, and design and verification of functionality of reactors. Required education and skills • Master degree in biotechnology, chemical engineering, physical chemistry, biomedical engineering; • Positive attitude to experimental work in laboratory; • An ability for interdisciplinary cooperation.

Reducing the risks associated with gray water recycling: Using the Internet of Things for remote monitoring and control of gray water treatment plants

Department: Department of Water Technology and Environmental Engineering, Faculty of Environmental Technology
Theses supervisor: doc. Ing. Jan Bartáček, Ph.D.

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The reuse of gray water, i.e. relatively little polluted water used in bathrooms, is becoming an important element of water management in today's society. Although mostly simple and reliable technologies, their operation and subsequent use inside or outside buildings is associated with significant hygienic and environmental risks. The reduction of these risks, which are often associated with imperfect operation and maintenance, can be achieved by perfect monitoring and control of the operation of treatment technologies and especially by monitoring the quality of treated water. The aim of this dissertation will be to design and test a monitoring and control system for gray water treatment plants based on the Internet of Things (IoT). The student will look for such a set of parameters that can be measured in real-time and at the same time give the best possible information about the condition of the treatment plant and the quality of treated water. Furthermore, algorithms will be sought that will respond to faulty operating states of treatment plants so as to minimize the need for physical operation of treatment plants.

Refractory geopolymer material

Department: Department of Glass and Ceramics, Faculty of Chemical Technology
Theses supervisor: Ing. Martina Šídlová, Ph.D.

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The aim of the dissertation thesis will be the preparation of a refractory geopolymer material formed by alkaline activation of aluminosilicates. Industrial and waste materials such as metakaolins, fly ash and blast furnace slag are considered as a source of aluminosilicates. The work will include the study of various possibilities of alkaline activation of aluminosilicates and the influence of refractory fillers. The workability and solidification and hardening processes of the prepared materials will be studied. Part of the work will include the determination of refractory and thermomechanical properties of prepared materials, which include flexural strength at high temperatures and heat resistance. The prepared geopolymers will be studied by a number of methods, such as XRD, SEM, NMR, DTA and mercury porosimetry.

Regeneration of CO2 using renewable energy sources

Department: Department of Solid State Engineering, Faculty of Chemical Technology

Relationship between plants endophytes, and its metabolome

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie
Theses supervisor: doc. Ing. Petra Lovecká, Ph.D.

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Recently, research focused on uncommon natural sources and unexplored habitats has become a subject of deep scientific interest. Exclusive relationships of endophytic bacteria and fungi with plants were shown to have a great potential to produce new and rare secondary metabolites, with unique health beneficial, technological and nutritional properties. The essence of the thesis will be studying of mutual relationships between microbial endophytes and plants by advanced tools of modern analytical chemistry – high resolution mass spectrometry-based metabolomic fingerprinting / profiling. In addition to this, potential ofendophytes to prevent pathogenic fungi growth and mycotoxins production will be assessed.

Response of microbial communities to changing climate in Arctic tundra soils

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programmes: Mikrobiologie, Microbiology
Theses supervisor: RNDr. Jana Voříšková, PhD.

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Climate models predict substantial changes in temperature and precipitation patterns across the Arctic regions in future decades. Microbes are known to play key roles in determining the stability of soil carbon and its possible release into the atmosphere as greenhouse gases. Carbon-rich Arctic soil ecosystems are particularly vulnerable to carbon losses due to warming and subsequent ecosystem disturbances as wildfires. The aim of the project will be to explore the response of soil microbial communities to the conditions caused by future climate change, specifically increased winter precipitation, summer warming and wildfire disturbance. For the project, we will use the experimental sites in western and southern Greenland, maintained by University of Copenhagen, which simulate predicted changes in soil ecosystem. Microbial communities from collected soil samples will be characterized using state-of-the-art methods of molecular biology.

Retrovirus integration and epigenetic provirus silencing

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: RNDr. Jiří Hejnar, CSc.

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Autonomous transcription of integrated retroviruses and retrotransposons is affected by genetic and epigenetic features of respective sites of integration. These, mostly suppressive effects silence proviral transcription activity by mechanisms such as DNA methylation and posttranslation modifications of adjacent histone molecules. Provirus silencing is a general feature of integrated retroviruses, but its extent and kinetics vary among different retrovirus species. We studied the role of integration site using single cell clones bearing the unique integrations of reporter vectors derived mostly from avian leukosis virus (ALV) or human immunodefficiency virus (HIV). This appproach enabled us to correlate expression of reporter gene and the epigenomic landscape at the site of integration. The topic to be open for one doctoral student will be the immediate early silencing of proviruses, which occurs quickly after integration or even during the integration event due to the extensive epigenomic shift and DNA repair processes. For this type of studies, it will be necessary to establish a special dual reporter system of vectors, which records the narrow and quickly vanishing pulses of transcriptional activity during and shortly after integration. Furthermore, integration preference or various retroviruses will be studied at the level of primary DNA sequence, epigenomic landscape, functional chromosomal segments and 3D genome structure. It is expected that this study will finish with alterations of chromatin contacts and topologically associated domains (TAD) of chromatin at the site of retrovirus integration.

Role of adhesion-GPCRs during viral infection of mammalian cells

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: Mgr. Jan Weber, CSc.

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The proposed PhD project addresses the possible role of adhesion G protein-coupled receptors (aGPCRs) during viral infection of mammalian cells. The aGPCRs are intriguing class of seven-transmembrane proteins that play important role in neurodevelopment, immune defense and cancer, but their role during viral infection is mostly unexplored. Currently, we recognize 33 members of aGPCRs in humans but majority are orphan receptors with unknown function. We intend to search for specific aGPCR and/or cellular proteins in aGPCRs pathways involved in infections of mammalian cells and characterize their interaction with viral proteins. During postgradual study, student will learn how to work with cell cultures in biosafety level 3, perform proteomic and bioinformatic analyses and siRNA experiments for gene-knockdown in mammalian cells infected with various viruses. Proposed project will broaden our current knowledge about the role of aGPCRs in infections of mammalian cells and if successful, it can identify potential targets for antiviral therapy.

SERS and artificial neural network – toward the analysis of complex biochemical samples

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Study programme: Drugs and Biomaterials
Theses supervisor: Mgr. Oleksiy Lyutakov, Ph.D.

Selective removal of anions from contaminated water

Department: Department of Power Engineering, Faculty of Environmental Technology
Study programme: Energie a paliva
Theses supervisor: doc. Dr. Ing. Helena Parschová

Self-cleaning and antibacterial coating based on TiO2 and ZnO

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: prof. Dr. Ing. Josef Krýsa

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The main scope of this work is preparation of photocatalytic active coatings/ paints based on TiO2 a ZnO on the appropriate substrate (ceramics, glass, metals, facades, hydraulic binders) by different methods. The important part of the work is films characterization (XRD, SEM, Raman spectroscopy) and development of methods for testing photoactivity and hydrophilic and antibacterial properties of prepared layers. Studied parameters will be the methods of precursor deposition (dip-coating, spraying) and the influence of the binder in the coating and the substrate.

Self-cleaning anti-biofilm polymer surfaces

Department: Department of Polymers, Faculty of Chemical Technology
Theses supervisor: Mgr. Martin Hrubý, Ph.D., DSc.

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The formation of bacterial biofilms is a one of the major issues in the current biomedical research. In the body, such biofilms are created on the surface of the medical devices, e.g., joint prostheses or heart valves, where they cause inflammation and chronic infections. The aim of this Ph.D. project is to develop a novel class of smart self-cleaning anti-biofilm polymer surfaces, based on poly(2-alkyl-2-oxazoline)s, that are both anti-fouling and able to catalytically prevent the biofilm formation in the very long-term period. The project work includes polymer synthesis, the surfaces preparation and the study of their physicochemical properties. Moreover, the selected surfaces will be subjected to comprehensive in vitro and in vivo testing in the collaboration with biologists.

Sensor arrays of tactile temperature and pressure sensors

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering

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Tactile temperature or pressure sensors are devices used in robotics to evaluate the robot's interaction with other objects. These include, for example, manipulating an object, measuring the slip of a gripped object, determining the coordinates of the position of the object or measuring the magnitude of the force acting on the object. The extreme case is complex tactile systems, the purpose of which is to simulate and replace human touch. The sensors used for these purposes must be sufficiently miniature, sensitive to small changes in pressure, must have favorable dynamic properties and time and operational stability of the parameters. Due to the expected high density of tactile sensors connected in simple applications, there must be the possibility of their operation in the form of sensor arrays and data processing using advanced mathematical and statistical algorithms. Last but not least, the cost of producing them must be reasonable so that they can be easily replaced in the event of wear.
The aim of this work is therefore to develop new types of tactile temperature and pressure sensors based on modern nanomaterials, which can be used in experiments with the measurement of temporally and spatially distributed forces acting on the matrix of sensors. Part of the work will be the preparation, characterization and processing of thermoelectric and piezoresistive materials based on organic nanostructured semiconductors and carbon nanostructures. Testing of these substances will include, inter alia, structural, chemical and mechanical analysis and measurement of electrical properties in both direct and alternating electric fields. Selected materials will then be processed into sensitive sensors. Part of this work will also be the design of sensor arrays and their testing and signal processing using advanced algorithms.

Separation of humic substances from water by membrane processes

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Martin Zlámal, Ph.D.

Silicate glass surface

Department: Department of Glass and Ceramics, Faculty of Chemical Technology

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Glass surface is not fully explored, but the surface features are closely related to its mechanical and chemical properties. The work will focus to glass surface preparation, its characterization and well-defined modification. The relation of the surface with some properties will be further studied.

Smart antimicrobial materials

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Study programme: Drugs and Biomaterials

Smart materials for medical and biological applications

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Study programme: Drugs and Biomaterials
Theses supervisor: Mgr. Oleksiy Lyutakov, Ph.D.

Smart materials for optics and electronics

Department: Department of Solid State Engineering, Faculty of Chemical Technology
Theses supervisor: Mgr. Oleksiy Lyutakov, Ph.D.

Software sensors for monitoring of bioprocesses

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering

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The quality of process control of biotechnological production processes used in the pharmacy and food industry is often constrained by the limited possibilities of on-line measurement of key process parameters (e.g. cell concentration, growth rate, production rate, etc.). One possible solution is the use of software sensors to continually estimate the values of key process indicators from on-line measurable process variables. The proposed work is focused on the study and application of the above methods for advanced monitoring of a selected biotechnological process.

Solid base catalysts for condensation reactions

Department: Department of Petroleum Technology and Alternative Fuels, Faculty of Environmental Technology
Study programme: Energie a paliva

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Solid base catalysts are promising catalysts for the valorization of short-chain aldehydes and ketones to valuable chemical intermediates. The work will focus on a detailed investigation of new compositions and synthesis strategies to understand the origin of the catalytic activity of hydrotalcite-based catalysts that would allow improving their long-term stability. Besides aldol condensation, other reactions from classical organic synthesis will be targeted as well to investigate whether the hydrotalcite-based catalysts could replace the traditional base catalysts and make the syntheses “greener”.

Solubility and stability of organic redox species for electrochemical energy storage

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Juraj Kosek

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Fast development of renewable energy sources and of electromobility requires both stationary distributed energy storage and mobile batteries or fuel cells with high specific energy and sufficient power. PhD student will concentrate on experimental and theoretical research of flow electrochemical systems for the accumulation of electric energy. The central focus of this project will be the utilization of organic redox species in electrolytes of redox flow batteries. In the cooperation with organic chemists, we are going to search for molecules with suitable properties for their use in stationary and mobile convertors of electric / electrochemical energy with the aim to improve both technical and economic characteristics of energy storages. The emphasis will be given on the understanding of the relation between chemical structure of organic molecules and their relevant properties such as solubility in aqueous and non-aqueous electrolytes, kinetics of electrode reactions and transport of molecules through the separator/membrane. PhD student will also investigate chemical and electrochemical stability of organic redox species at conditions of expected applications, effect of impurities and other aspects. The results of this work shall enable the intensification of energy storage in organic redox flow batteries and the improvement of their economical parameters. The outcome of this work will be not only series of papers in impacted journals, but also practical knowledge enabling practical utilization of invented redox species in scale-up to pilot-plant units. PhD student will collaborate not only in the team of PhD students and postdocs in our laboratories, but will also cooperate with industrial and academic partners.
Info: phone 220 44 3296, room B-145, e-mail jkk@vscht.cz, webhttp://kosekgroup.cz

Solvent and pH stable membranes with ultra-sharp molecular weight cut-off values

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: doc. Ing. Petr Kočí, Ph.D.

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Membrane-based separations currently offer the best strategy to decrease energy requirements and environmental footprint through newly developed solvent resistant nanofiltration (SRNF) or solvent-tolerant nanofiltration (STNF). So-called solvent activation of polymeric membranes involves treatment of an existing membrane by contacting it with solvents or solvent mixtures, which is hypothesized to restructure the membrane polymer through solvatation, increase polymer chain flexibility and organization into suitable structures. This will be verified by systematically treating membranes with different solvents and testing them for the separation of synthetic liquid streams. A high-throughput set-up will be used. Fundamental physico-chemical characterisations of the membranes before and after the treatments will provide insight in the changes at molecular level. The characterization techniques include gas and liquid uptake experiments (diffusivity), PALS (positron annihilation lifetime spectroscopy, to determine free volume element distributions), ERD (elastic recoil scattering, providing elemental analysis in membrane depth profiles), solid state NMR (nuclear magnetic resonance), TGA (thermogravimetric analysis) and DSC (differential scanning calorimetry).

Solvent effects in acid catalyzed reactions

Department: Department of Organic Technology, Faculty of Chemical Technology

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Acid-catalyzed reactions are of large importance in the production of fine chemicals. The influence of the type of acid catalyst, type of acid sites, temperature, and occasionally pressure on the reaction course is widely studied. Used solvent is often chosen based on preliminary experiments or on literary data. Recently, the trend showing the influence of the solvent on the reaction course is visible. Typically, the properties of the solvent such as basicity and polarity are included in the discussion. The aim of the work will be the study of the solvent's influence on the course of the chosen acid-catalyzed reaction. The influence of the solvent properties will be the goal. Possible synergy between solvent and catalyst from the point of view of selectivity or reaction rate will be evaluated. The used catalysts will be characterized by available methods (XRD,TPD pyridine, IR, UV-Vis, etc.). The interaction solvent-acid site-substrate will be discussed. For the evaluation also theoretically based calculation may be used.

Special glasses

Department: Laboratory of Inorganic Materials, Faculty of Chemical Technology
Theses supervisor: Ing. Petr Kostka, Ph.D.

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The work will focus on the preparation and study of new glasses containing heavy metal compounds, especially heavy metal oxides. Heavy metal oxide glasses in which the glass network is formed by oxides such as e.g. TeO2, GeO2 or Sb2O3 instead of SiO2 are studied for their characteristic properties. In comparison to conventional glasses they particularly excel with their wide transparency interval reaching to much longer wavelengths than in silicate glasses, higher refractive index, and non-linear optical properties. They are also interesting because of the high quantum yield of radiative transitions of rare earth ions embedded in their glass networks, which have low phonon energies, and because of their ability to adopt high concentrations of rare earths ions. The characterization of the prepared materials will include determination of their basic physicochemical properties such as density, molar volume, thermal stability, chemical resistance, hardness, optical transparency, refractive index etc. The correlation between the structural units of the glass network and resulting properties will be investigated and the influence of technological conditions during glass preparation on glass properties will be studied. The Laboratory cooperates with foreign research institutions.

Spectroscopic analysis of biologically active compounds in the solid state

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Theses supervisor: prof. RNDr. Petr Bouř, CSc.

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Drugs, food components or other biologically active substances often need to be analyzed in the solid state. We will concentrate on the detection of model systems using infrared and Raman spectroscopic methods. These methods are relatively easy to use, but may have sensitivity limits, require special sample preparations and the interpretation of the spectra can be difficult. In the project, we will try to complete unpolarized measurements by vibrational optical activity and develop computational and simulation tools for prediction and interpretation of the spectra.

Stability of soil ternary complexes with toxic oxyanion (As/Sb/Se). Effect of iron and organic carbon.

Department: Department of Solid State Chemistry, Faculty of Chemical Technology

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In soil profiles several toxic elements (arsenic, antimony, selenium) occur as oxyanions primarily bound to HFO phases, forming stable surface complexes. This process runs as the balanced adsorption of oxyanions from a soil solution to active adsorption sites of soil particles, in the presence of another anions and dissolved organic matter. During this process the binary and/or ternary soil complexes of HFO, organic matter and oxyanion have been formed. The adsorption and complexation proceed in a colloid environment, which is susceptible to the ionic strength of soil solution (stabilization or aggregation of particles). According to recent results the stability of formed ternary complexes is critical for the long-term stability of binding oxyanions. The aim of this work will be to qualify the formation of organic matter – ferric oxide – anionic particle ternary komplexes, to describe their structure and binding properties, and to estimate the environmental impact to the stability of complex components, particularly the toxic oxyanionic forms.

Starch nanoparticles – preparation and uses

Department: Department of Carbohydrates and Cereals, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Evžen Šárka, CSc.

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Starch-based nanoparticles, which are extensively investigated nowadays, may be used as fillers and reinforcing agents in polymer composites, carriers for drug delivery, barrier coating materials, and stabilizers in oil-in-water emulsions. The addition of starch nanocrystals from different botanical origin to biodegradable films of waxy starch has improved barrier and mechanical properties of the resulting materials. The thesis is focused on the preparation of starch nanoparticles and their potential applications.

Stimuli-responsive supramolecular polymer systems for biomedical applications

Department: Department of Polymers, Faculty of Chemical Technology
Theses supervisor: Mgr. Martin Hrubý, Ph.D., DSc.

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Self-assembly of (macro)molecules is of crucial importance in the architecture of living organisms. Supramolecular systems have their key properties critically dependent on self-assembly and find use in the area of biomedical applications especially if they are able to reversibly react to external stimuli (changes in pH, light, redox potential, ultrasound, temperature, concentration of certain substances). The doctoral thesis will be based on chemical and/or physicochemical preparation and study of self-assembly of such multi-stimuli-responsive nanoparticles with external environment (pH, redox potential and temperature responsiveness); the exact topic will take into account the student´s interests. The studied nanoparticles and injectable depot systems will be designed for diagnostics and personalized immunoradiotherapy and immunochemotherapy of cancer and autoimmune diseases. Optimized nanoparticles will be then provided to collaborating biological workplaces for in vivo testing.

Strength and fluidity of granular media

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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Mechanics of granular media (sand, clay, silt, debris, etc.) is central to many problems in geology and technology. Natural hazards such as earthquakes or landslides are triggered by mechanical instability of embedded granular gauges. On the other hand, conditions leading to good fluidity of granular media are often sought in civil engineering, pharmacy, and chemical technology. Therefore, understanding of mechanisms controlling the strength of granular media is of high importance. The student will run computer simulations of a shearing granular layer and will study conditions leading to flow. The resulting theoretical picture should enlighten mechanisms that are most effective in degrading mechanical strength. In particular, the effect of pore fluid and oscillations of boundaries will be studied in detail. Required education and skills
• Master degree in chemical engineering, physics, geology, mathematical modeling, computer science;
• high motivation, willingness to learn new things;
• team spirit.

Structural and functional diversity of bioactive specialized metabolites produced by Actinobacteria

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie
Theses supervisor: prof. Ing. Jan Masák, CSc.

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Actinobacteria represent a renowned source of a broad spectrum of biologically active metabolites applicable in medicine. Even though this source of natural products nowadays faces challenges such as re-discovery of known compounds, we assume that we may exploit the once efficient source of antibiotics or anticancer drugs again if we employ more innovative strategies. Within this project, we will prepare a library of extracts and fractions containing metabolites obtained from a collection of soil Actinobacteria. We will attempt to target the compounds of interest in the upstream workflow process using modern metabolomics approaches. We will screen the library against a set of multi-drug resistant pathogens, for which antibioticas are urgently needed according to the World Health Organisation. These include Clostridioides (Clostridium) difficile, Staphylococcus aureus, Acinetobacter baumannii, Klebsiella pneumoniae, Pseudomonas aeruginosa, and others. We will also submit samples with the metabolites from Actinobacteria into the chemical library of the CZ-OPENSCREEN facility for high throughput screening of various specific biological activities. The most promising metabolites will be purified and structurally elucidated by mass spectrometry and nuclear magnetic resonance.

Structural, Magnetic and Thermoelectric Properties of TM in ZnO / ZnS: Effects of Nano-sizing

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Theses supervisor: Ing. Ladislav Nádherný, Ph.D.

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In the past ten years, the interest in zinc oxide research in the field of magnetic semiconductors has significantly increased. According to the Zener model, manganese-doped ZnO is one of the systems in which ferromagnetic behavior could be achieved even at room temperature. Since the solubility of magnetic Mn in bulk ZnO is very limited, new approaches to prepare thin films and nanoparticles with higher dopant concentration are used. The aim of this dissertation thesis is to prepare nanopowders based on ZnO with the highest concentration of Mn as possible. Prepared powders will be characterized by means of XRD, TEM, DSC, DLS, PPMS, and the nanosizing effect on the Mn solubility in ZnO or ZnS will be described.

Structure and dynamics of glutamate receptors, theory and experiment.

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Jiří Černý, Ph.D.

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The proposed multidisciplinary project combines various experimental and theoretical strategies to refine structural elements of the glutamate receptor (iGluR) in functionally important states. We will extend the available structural data using a mammalian and insect cells expressed iGluRs. We will induce and characterize its functional state (activation kinetics, binding affinity, and single channel properties). Further, we will use the distance information from a structural mass spectrometry analysis as an input into all-atom adaptive enhanced sampling MD simulations to refine the original crystal structures and identify new structural motifs. We will gain highly accurate structural information on iGluR in its functionally important states and their role in iGluR structural transitions.

Structure and function of bacterial transcription system

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Jan Dohnálek, Ph.D.

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The bacterial transcription system is currently a focus of numerous research projects as an antibiotic target as well as posing a number of unanswered basic questions. We concentrate on analysis of structure and function of RNA polymerase from gram-positive bacteria, namely Mycobacterium smegmatis and Bacillus subtilis. We investigate the role of either recently discovered or not fully understood protein factors involved in the transcription machinery. Mycobacteria are medically important organisms containing serious pathogens. Bacillus subtilis is a representative organism of gram-positive bacteria, with some differences in transcription in comparison to mycobacteria. In this project selected RNA polymerase-associated proteins will be characterized in detail as for their structure and function, using techniques of molecular biology and integrative structural biology, including X-ray crystallography, small angle X-ray scattering and cryo-electron microscopy.

Structure and reactions of solvated electron

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

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Solvated electron is an interesting redox species. Hydrated electron, i.e. the electron solvated in water, is a short living transient species (picosecond lifetime). It turns out that the solvated and presolvated electron play a major role in radiation damage of biomolecules and in atmospheric chemistry. The subject of the proposed Thesis is the interaction of high energy radiation and the research of solvated electron fomration and reactivity. For more information, see http://photox.vscht.cz/

Structure of carbohydrates investigated by NMR spectroscopy and molecular modeling

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Theses supervisor: Ing. Radek Pohl, Ph.D.

Annotation

Carbohydrates are the most abundant biomolecules with enormous structural diversity. They are present in the Nature in the form of mono-, di-, oligo- or polysaccharides but also as a part of glycoconjugates such as glycoproteins, peptidoglycans or glycolipids. Consequently, this structural variety makes carbohydrates the least exploited among biomolecules. In addition to the structural diversity, originating from multi-linkage and branching of monosaccharides, carbohydrates are usually flexible molecules that can exist in various conformations. All this makes structural studies of carbohydrates difficult and challenging.
NMR spectroscopy is, among other experimental techniques, the most exploited method in determination of carbohydrate structure. The advantage of NMR is the possibility to study molecules of interest in both solution and solid state and at the same time correlate multiple parameters (chemical shift, coupling constants, NOE, relaxation times) with the structure. On the other hand, NMR spectra of carbohydrates are complex due to significant signal overlap and averaging of NMR parameters in solution experiments. Many NMR parameters respond sensitively to changes in structure, which is however not directly deducible from NMR spectra. Therefore, a combination of experimental NMR with molecular modeling techniques is frequently used in carbohydrate structure determination.
The aim of the PhD project is studying of carbohydrate structures by NMR spectroscopy and explore various NMR techniques in combination with molecular modelling that can be used in order to fulfil this task. Particular emphasis will be given to the sensitivity of NMR parameters to conformational changes and to the influence of the environment on carbohydrate structure. The studied compounds will be synthesized in a collaborating laboratory of Dr. Kamil Parkan at UCT Prague.

Structure of glass and its interfaces

Department: Department of Glass and Ceramics, Faculty of Chemical Technology

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Glass structure is described by means of structural quantifiers (radial distribution functions, coordination numbers, Q-motifs, rings, etc.) on various geometrical and topological levels. Structure can be theoretically mimicked by Molecular dynamics on the atomic level. The work aims to the theoretical description of glass structure and its relation to the glass transition. Except for the theoretical description, simulations of the chosen amorphous systems and their interfaces will be utilised.

Structure-Function Relationships of the Bordetella Type III Secretion System Proteins

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programmes: Mikrobiologie, Microbiology
Theses supervisor: prof. Ing. Peter Šebo, CSc.

Annotation

Type III secretion systems are membrane-embedded nanomachines used by many Gram-negative pathogens to inject bacterial effector proteins into the cytosol of eukaryotic cells. The aim of this thesis is to depict structure-function relationships of proteins of Bordetella III injectosome and its secreted substrates. Specifically, BopN protein that exhibits homology to the class of “gatekeepers” or “plug” proteins, Bsp22 protein that forms a unique filamentous T3SS tip complex and BteA effector protein with unknown mechanism of action. The PhD. candidate will develop reporter assays to analyze activity of Bordetella type III secretion system, perform super-resolution and cryo-electron microscopy and further carry out structural characterization and crystallization trials of the purified recombinant proteins, their domains and/or their mutated variants.

Study and application of nanostructures induced by high energy excimer laser

Department: Department of Solid State Engineering, Faculty of Chemical Technology

Annotation

The work will focus on the study of the interaction of polymeric materials with a unique high-power excimer laser. Periodic nanostructures on a polymer will be studied, especially their applications in the field of tissue engineering with a focus on the possibility of single cell analysis. Periodic nano-patterns (LIPSS) will be used to monitor the interaction primarily with mammalian cells, as well as their antibacterial properties, especially in combination with selected surface active substances. The work will also focus on the exposure of thin carbon nanolayers and carbon composites. Within the interaction of materials with a high energy excimer laser, also the possibilities of preparation of new materials, such as Q-carbon with ferroelectric properties, will be investigated.

Study and preparation of nanoparticles in controlled conditions of microfluidic arrangement

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Viola Tokárová, Ph.D.

Annotation

Properties of nanoparticles (e.g., optical, electromagnetic or mechanical) depend on particle size, morphology and structure and there is an increasing demand for particles having low polydispersity and thus near-identical properties. Batch-wise particle preparation is one of the most employed techniques due to its straightforward character and feasibility of instrumentation. However, the use of batch-wise synthesis is not ideal for rapid precipitation reaction given by non-ideal mixing of reactants. Mixing efficiency plays a significant role since the nucleation process triggered upon reactant mixing occurs within few milliseconds. Continuous microfluidic reactors are promising technology allowing thanks to their small dimensions, high surface to volume ratio and mixing intensification lowering of the final particle polydispersity and produce particles with superior properties compared to those produced by means of batch-wise preparation. The aim of this work will be to optimize the architecture of microfluidic channels and its effect on the mixing of the reactants with respect to the synthesis of nanoparticles of the required size.

Study of bioaccumulation and ecotoxicity of selected 2D nanomaterials, chalcogenides and monoelementary materials for aquatic organisms

Department: Department of Environmental Chemistry, Faculty of Environmental Technology

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The main goal of this work is to determine the level of ecotoxicity for selected nanomaterials (2D nanomaterials, chalcogens, monoelementary materials) and their effect on selected aquatic organisms. An important task in the work is the possible confirmation of the bioaccumulation of these materials and its localization in specific organs of the observed organisms. At the same time, the influence of these nanomaterials within the food chain consisting of selected aquatic organisms will be studied.

Study of bubble and drop interactions with a vortex structure

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Mária Zedníková, Ph.D.

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Gas-liquid or liquid-liquid dispersions are encountered in numerous technological and biotechnological processes. The fluid particles (bubbles or droplets) break in the turbulent liquid flow and form a complex multiphase system. Understanding the particle breakup mechanism at turbulent flow conditions is important because theoretical models describing this mechanism are essential for the numerical modeling of complex multiphase systems. The postgraduate project will be focused on the experimental study of dynamic behavior of bubbles and drops after their interaction with a turbulent vortex in order to determine the breakup rate of original particles and the size distribution of newly formed particles. The breakage mechanism will be studied in dependence on various hydrodynamic and physico-chemical conditions of the studied system. Department is well equipped for the study of bubble/drop breakup in turbulent flow. Cells for controlled generation of bubble, toroidal vortices and intense turbulent flow are available, as well as all the control and evaluation software. Requirements for the applicant: master degree in chemical or mechanical engineering; ability to teamwork; systematic and creative approach to scientific problems; interest in experimental work.

Study of compounds abused for doping by LC-MS

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)
Theses supervisor: doc. Dr. RNDr. David Sýkora

Study of conformation and solvation envelops of bioactive compounds in solution via NMR

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering

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The work deals with conformations and solvation envelopes of biologically important substances (drugs) using NMR. The aim is to develop experimental methods to obtain detailed information about the conformers of substances in solution, and their interaction with solvent molecules or solutes. The aim is to correlate the information obtained with the structure of substances in the crystals, physicochemical properties and biological activity.

Study of initiation and propagation of microstructural defects in metallic materials by X-ray microtomography

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: Ing. Tomáš Prošek, Ph.D.

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Rapid development of X-ray microtomography (μCT) in past two decades enabled its application in studies of metallic materials. Thanks to affordable μCT apparatuses with high resolution around or even below 1 μm, it is now possible to follow initiation and propagation of localized corrosion and environmentally assisted cracking in real time. A new, unique device available in Technopark Kralupy of UCT Prague with high resolution and equipped with integrated tensile testing stand and climatic chamber allows for in situ experiments in atmospheric conditions. The PhD thesis will be focused on two groups of modern iron-based materials, high strength steels and stainless steels. High strength steels are prone to hydrogen embrittlement, which will be studied in situ as a consequence of entry of atomic hydrogen generated by atmospheric corrosion. The application window of stainless steel in atmospheric exposure conditions is limited by the risk of pitting corrosion and stress corrosion cracking initiation under deposits rich with chloride ions. The study will focus mainly on the crack initiation in locations of microstructural defects and corrosion pits and the role of climatic parameters in crack propagation. The goal of the thesis will be to describe mechanisms of the initiation and propagation of these corrosion-induced defects.

Study of inorganic ions separation by nanofiltration

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Martin Zlámal, Ph.D.

Study of natural biologically active substances transport through membrane systems

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Martin Kuchař, Ph.D.

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This research work will deal with studies of biological membranes (skin, cornea, blood-brain barrier) in terms of their permeability to a number of natural biologically active substances with neuropsychopharmacological potential. Emphasis will be placed on the development and preparation of formulations containing CBD, THC derivatives and neuroactive steroids with suitable transport carriers across the skin, cornea and blood-brain barrier. The quantity of permeated substances and the changes in membranes caused by the passage of active substances and their carriers will be monitored. Commercial Franc diffusion cells will be used for the in vitro model of transdermal transport. The wok will also include the development of a new diffusion cell for transcorneal transport. The permeation of substances across the blood-brain barrier will be monitored by their pharmacological studies in the animal model with Wistar rats. An advanced separation technique coupled with mass spectroscopy will be used for the pharmacological study. Vibrational spectroscopy techniques will serve as advanced tools for the investigation of structural changes and the distribution of substances in membranes. The research will be carried out in cooperation with the International Eya Bank of Prague and the National Institute of Mental Health.

Study of pharmacokinetics and metabolism of psychoactive compounds by LC-MS

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)
Theses supervisor: doc. Dr. RNDr. David Sýkora

Study of plastic additives used in agriculture

Department: Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology

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This dissertation will be implemented within the EU project PAPILLONS - Plastic in Agricultural Production: Impacts, Lifecycles and LONg-term Sustainability. Plastics are a very important commodity in agriculture that improves crop protection and yield. In Europe, between 3 and 4 million tons of agricultural plastics are currently used, which generates 1 million tons of waste. During use and at the end of their life, some plastics degrade and form fragments, including micro- and nanoplastics, which may temporarily or permanently accumulate in the soil, which can then be transferred to agricultural crops and some animals. These plastics contain various additives, such as substances used as antioxidants, antistatics, flame retardants, plasticizers, pigments, heat stabilizers and UV stabilizers. This work will focus on the development of analytical methods for the determination of various plastic additives in fragments of plastics, agricultural plants and selected animals. The methods will be used to analyze samples taken in different regions of the EU, thus obtaining data for a comprehensive assessment of the risks associated with the use of these plastics in agriculture.

Study of potential pharmaceuticals based on lipopeptides by LC-MS

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)
Theses supervisor: doc. Dr. RNDr. David Sýkora

Study of sorbents for dehalogenation of reducing gases

Department: Department of Power Engineering, Faculty of Environmental Technology
Study programme: Energie a paliva

Study of the photocatalytic degradation of organic polutants from wastewater

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Martin Kuchař, Ph.D.

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The work is focused on the utilization of liquid chromatography coupled to mass spectrometry to measure kinetics of photocatalytic degradation of selected biologically active pollutants in wastewater. Analytical methods elaborated in frame of the project will be further utilized for the identification of ultratrace quantities of degradation products. In silico prediction will be used to determine the degradation products and correlated with experimental data. The biological activity and possible toxicity of the products resulting from the photocatalytic degradation will be assessed in collaboration with the Institute of Experimental Medicine AV ČR.

Study of the use of biocontrol agents against fungal biofilms

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie

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The subject of this doctoral project is to investigate the methods of application and effectiveness of biocontrol agents (eg Pythium oligandrum, Geotrichum candidum) against fungal biofilms (eg genera Aspergillus, Penicillium and Fusarium) and the experimental study of factors (physicochemical, nutritional, culture, hydrodynamic) that affect it. The experiments will be performed in various configurations (static, dynamic) using experimental design and evaluation by statistical methods. The project also aims to compare experimental data on the effectiveness of biofungicide with model prediction of its adhesion to fungal biofilms and model surfaces (X/DLVO theory, interfacial free energy balance) based on physicochemical surfaces properties. Using the agreement between experiments and models, the controlling force of biofungicide interaction with biofilm can be identified. In the case of interaction of biofungicide cells with model surfaces, the conditions under which they can be preventively treated with a biofungicide will be defined. All successful attempts to remove/suppress fungal biofilm with biofungicide will be accompanied by a quantitative determination of mycotoxins.

Study of transport characteristics in various types of bioreactors

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Tomáš Moucha

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The production of new biotechnology and pharmaceutical products is based on a bioreactor design. The choice of a suitable type of bioreactor is crucial with respect to maximum yield, but it is also limited by the lifetime of the microorganisms present. The aim of the doctoral study is to compare design parameters (transport characteristics) of three types of the most commonly used bioreactors. The results will be used to characterize the differences and similarities of specific types of bioreactors in terms of gas distribution, mass transfer and mixing depending on the total energy supplied to the system. Transport characteristics will be obtained experimentally for model batches, which will be designed based on physical properties of real broths. Both cooperating departments are well equipped and have all the three types of bioreactors i) mechanically stirred reactor, ii) bubbled column and iii) air-lift reactor. All bioreactors are adapted to measure transport characteristics by the same methods, therefore the results will be comparable. Requirements for applicant: master degree in chemical or mechanical engineering, organic technology, biotechnology etc.; ability for teamwork; systematic and creative approach to scientific problems; interest in experimental work Further information: Assoc. Prof. Tomáš Moucha, building B of UCT Prague, room T02, e-mail: tomas.moucha@vscht.cz

Study on transformations of organic aerosols

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Theses supervisor: Ing. Vladimír Ždímal, Dr.

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Secondary organic aerosols (SOA) as important components of atmospheric aerosols influence Earth’s climate, human health and life expectancy. They are produced by atmospheric photooxidations of anthropogenic and biogenic volatile organic compounds (BVOCs) via gas-to-particle conversion. Terpenes and isoprenes belong to the most abundant chemical species detected in BVOC emissions. They can be oxidized to form semi- and low-volatile carbonyls, acids, and other products, transitioning between gas and particulate phase. To correctly describe these transformations by mathematical models, knowledge of thermodynamic and transport properties of these compounds is needed. The doctoral student will study these phenomena using advanced aerosol instrumentation including on-line chemical and physical characterization of particles by mass spectrometry.

Studying speciation of arsenic in the mycosphere - from microorganisms to animals

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programme: Mikrobiologie
Theses supervisor: prof. Ing. Pavel Kotrba, Ph.D.

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The goal of this work is to answer questions related to not so well studied biotransformations of arsenic in living organisms, with emphasis on fungi. Arsenic is rather toxic, but since it is ubiquitous, organisms have evolved various methods of As detoxification, including redox reactions, methylation and other biotransformation reactions. We suppose, that these bioprocesses are dependent on many factors, including As bioavailability and genetic background of each organism, and various compounds of the so called mycosphere, i.e. all factors related to fungi (geochemistry, microbiome, fungivores). Each factor and process of the biotransformation can thus be studied from a different perspective. The primary goal of this work will be identification, isolation and functional characterization of genes potentially playing role in As transformation in fungi and bacteria and their screening by metagenomic techniques in soil samples and fungal sporocarps. A second approach will deal with growing fungal mycelia in substrate amended with As and assessing the potential of the mycelia to transform inorganic As forms to organic by mass spectrometry. Both these approaches should answer questions such as: Can fungi methylate As? Do As forms correlate with fungal phylogeny? Can fungal As hyperaccumulators change the speciation of As in soil and thus in the surrounding bacterial community? How are As compounds transformed and translocated in the mycosphere?

Supported catalysts with active layer of mixed transition metal oxides

Department: Department of Solid State Chemistry, Faculty of Chemical Technology

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The work is focused on preparation of catalytically active mixed oxides of transition metals deposited on preformed metal and ceramic supports. Modification of supports surface, coating with oxide interlayers for active components anchoring, and subsequent deposition of the catalytically active binary and ternary Ni, Cu, Co, and Mn mixed oxides will be studied to achieve good adhesion of the deposited oxides to the supports. The aim of the work is to obtain a complex information about the role of supports surface pretreatment, procedure of precursors deposition, and following thermal treatment on the composition, physical chemical properties, and catalytic activity of the deposited mixed oxide catalysts.

Supramolecular assemblies and gels from helicene-polypeptide conjugates: synthesis and chiroptical properties

Department: Department of Analytical Chemistry, Faculty of Chemical Engineering
Study programme: Chemie (double degree)

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This work will be focused on the preparation and characterization of new supramolecular systems based on helicene-polypeptide conjugates. The polypeptide moiety will be systematically modified to produce highly ordered supramolecular aggregates stabilized by hydrogen and other interactions. Common methods of structural analysis including highly sensitive methods of chiroptical spectroscopy (electronic circular dichroism ECD, vibrational circular dichroism VCD and Raman optical activity ROA) will be used for the characterization.

Surface modifications of metallic biomaterials

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Jaroslav Fojt, Ph.D.

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Metallic biomaterials still play an irreplaceable role in medicine. The surface state significantly influences the properties and behaviour of biomaterials. This is especially the interaction on the metal-electrolyte phase boundary, i.e. biocompatibility and corrosion behaviour, although mechanical properties can also be affected. In the course of the work, the surfaces of metallic biomaterials will be modified in order to increase their utility properties. The modified surfaces will then be evaluated using standard material, electrochemical and spectroscopic methods.

Suspension rheology – from theoretical foundations to practical applications

Department: Department of Glass and Ceramics, Faculty of Chemical Technology

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The rheology of suspensions is a topic of widespread interest that is important in ceramic technology and many other fields. This PhD topic involves the theoretical treatment of basic problems in suspension rheology, mainly the dependence of the effective viscosity on particle shape, size and size distribution, as well as practical work with purely viscous non-Newtonian fluids as well as viscoelastic systems, mainly using rotational viscometry and oscillatory rheometry. The student is required to have a general chemical engineering background, not necessarily based on (and by no means limited to) ceramic technology.

Sustainability indicators and their use in industry

Department: Department of Environmental Chemistry, Faculty of Environmental Technology

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As part of the solution of the dissertation, a comprehensive methodology for assessing the sustainability of industrial activities will be created. The methodology will evaluate selected industries with regard to the entire life cycle and will use the outputs of the LCA as well as the environmental impact assessment methodology used in the LCA. Other suitably selected sustainability indicators, including the water footprint, will be included in the methodology.

Sustainable development in business practice

Department: Department of Environmental Chemistry, Faculty of Environmental Technology

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It is clear that the enforcement of sustainable development requirements will lead to a number of important changes, especially in EU countries, which may significantly affect business entities. Undoubtedly, the tendency towards zero carbon will lead to a reduction in fuel production and thus to shifts in their production, distribution and consumption. Likewise, the pressure to reduce plastics, reducing the consumption of materials will have an impact on many industrial producers, but also consumers. The prediction of possible impacts on selected groups of industrial producers, but also distributors and consumers is not very widespread in the professional literature. However, there is no doubt that it will happen, and enlightened owners and top management are already considering them. The dissertation will present the current knowledge of sustainable development towards business practice, the associated economic benefits and constraints, and last but not least, current recommendations, approaches, techniques for implementing this knowledge into business practice.

Synthesis and Applications of Novel Phosphinate Metal-Organic Frameworks

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: RNDr. Jan Demel, Ph.D.

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Metal-organic frameworks (MOF) are fast growing area of research that combine metal centres and organic linkers to form a crystalline material that contains pores. Due to the control on the molecular level and tunability of the structures, the specific surface area of MOFs is greater than 1000 m2/g. The chemical and topological diversity also allows tailoring the structure for given application. The aim of the dissertation thesis will be the synthesis and application of novel MOFs based on phosphinate (POOH) containing linkers. Within the frame of the thesis the student will learn synthethic procedures for the synthesis of novel phosphinate linkers, MOFs, their characterization (NMR, powder XRD, adsorption of N2, thermal analysis, etc.), and their applications. The work will be done at the Institute of Inorganic Chemistry of the Czech Academy of Sciences in Řež.

Synthesis and application of N-fluoroalkylated compounds

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Petr Beier, Ph.D.

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The recently reported synthesis of perfluoroalkyl azides and triazoles1 opened the door to study properties and reactivity of these compounds. In this project, the rich chemistry of (per)fluoroalkyl azides and triazoles1-10 will be investigated and new synthetic approaches to underdeveloped N-fluoroalkyl-containing compounds such as azides, azoles, azirines, ureas, carbamates, and amides will be studied. This class of compounds is expected to find utilization in drug discovery and in the development of new materials

Synthesis and application of ligands for P2X7 receptor imaging

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Michal Jurášek, Ph.D.

Synthesis and characterisation of particles with immuno-adhesive properties

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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The specificity of adhesion to the target cells or tissues in a physiological envirionment is a key requisite for the successful implementation of drug delivery systems (DDS). The aim of this work is to explore DDS based on immunoliposomes and their composites (e.g. with magnetic nanoparticles) using surface modification by antibody fragments and other suitable targeting moieties. The immunoliposomes will be tested both in vitro and in vivo in terms of specificity of adhesion, pharmacokinetics, and ability do encapsulate and delivery drugs or pro-drugs.

Synthesis and characterization of composite materials for silicon-based batteries

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering

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Silicon is considered as the most promising anode material for the next-generation Li-ion batteries because of its high theoretical specific capacity, wide elemental abundance and low discharge potential. Yet there are still too many serious issues that must be resolved before Si-based batteries are utilized, mostly related to the huge volume expansion of Si upon lithiation and the formation of the superficial oxide layer. Here we propose to develop tailored conductive and flexible matrixes based on nanoengineered Si nanocrystals (SiNC) embedded in a conductive and flexible carbon-based matrix that would incorporate a combination of binding, elastic, and conducting properties. Fundamental mechanisms related to the initial and long-term degradation of capacity in the nanosilicon materials will be investigated and conclusions will be drawn.

Synthesis and characterization of nanoparticle system for transfection of cells

Department: Department of Chemical Engineering, Faculty of Chemical Engineering

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Delivery of gene vectors during cell transfection is commonly done by positively charged poly ions. When coupled with DNA, this method is capable to deliver the genetic information into the host cell’s nucleus resulting in the production of the protein of interest. Even though this procedure is commonly used, toxicity of polycations results in low cell viability and loss of the culture. In this project we plan to develop a transfection system based on the biodegradable polymers with low toxicity using recently developed aggregation process. Student will be involved in the selection, synthesis and modification of the biodegradable polymer followed by the preparation of polymeric nanoparticles as a DNA carriers. Properties of the prepared polymer will be characterized via various methods include light scattering or GPC. Formed nanoparticles will be characterized by DLS, SEM/TEM, measurement of zeta potential and their colloidal stability. Consequent complexation of produced NPs with DNA and their size will be tested as well. In the last part of the project, process of complexation will be scaled up to the necessary amount to be tested with living cells.

Synthesis of 2D nanomaterials by "bottom-up" processes

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemistry, Chemistry, Chemie
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

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2D nanomaterials based on MoS2 and related substances exhibit unique properties. These materials will be prepared by hydrothermal synthesis from various precursors. The synthesis will be optimized in order to obtain nanostructures with defined number of layers. Prepared materials will be characterized by advanced techniques such as AFM, Raman spectroscopy and measurement of photoluminescence spectra.

Synthesis of biodegradable amphiphilic block copolymers and their application in drug delivery formulation

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering
Study programme: Chemistry (Czech language)

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Synthetic biodegradable polymers have attracted substantial attention in the field of drug delivery because of their attractive characteristics such as renewability, biocompatibility, biodegradability and low toxicity. Among various biodegradable polymers, polyesters like polylactide is one of the most used one in the medical field. This project deals with the preparation of PLA based copolymers bearing functional groups. Depending on the desired type of functionalization, appropriate synthetic methods will be applied. These biocompatible copolymers will allow preparing highly miscible drug/polymer delivery systems in a form of amorphous solid dispersions using different approaches.

Synthesis of chiral carboranes and metallacarboranes, their separation and interactions with organic systms

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: RNDr. Bohumír Grüner, CSc.

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This topics deals with synthesis of asymmetric boron clusters and their interactions with organic platforms.

Synthesis of chiral helicene-based polymers

Department: Department of Polymers, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Jan Storch, Ph.D.

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he aim of this Ph.D. thesis will be the synthesis, characterization, and chiral resolution of appropriate helicene derivatives and the study of their polymerization: via chemical way; via electrosynthetic approach or via coordination with transition metals (MOFs). Simultaneously, the chiroptical properties of newly prepared chiral polymeric materials will be intensively studied. Requirements and conditions:
• Master degree in organic chemistry or technology;
• systematic and creative approach to work;
• team work ability;
• employment contract at ICPF.

Synthesis of cytochalasan analogues with antimetastatic activity

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Drugs and Biomaterials

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Cytochalasans are natural compounds with interesting biological activities. Binding to a barbed ends of actin microfilaments is typical for all cytochalasans. Thanks to their interference with microfilament dynamics, some of natural cytochalasans showed antimetastatic activities. Antimetastatic activity is a key feature of so called "migrastatics", a new class of potential cancer therapeutics. In this PhD thesis, new analogues of cytochalasans will be designed and synthesized based on rational drug design and structure-activity relationship study will be performed. Then, the thesis will be focused on design and synthesis of cytochalasan prodrugs with improved water solubility.

Synthesis of layered transition metal dichalcogenides by vapor transport growth and CVD methods.

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programme: Chemistry
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

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Research work is focus on development of novel procedures for vapor transport growth of layered transition metal dichalcogenides with focus on control of composition and reduction of defect density. Further the work focus on development of CVD deposition methods for large area growth and heterostructure preparation of layered chalcogenides.

Synthesis of layered transition metal dichalcogenides by vapor transport growth and CVD methods.

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: prof. Ing. Zdeněk Sofer, Ph.D.

Annotation

Research work is focus on development of novel procedures for vapor transport growth of layered transition metal dichalcogenides with focus on control of composition and reduction of defect density.
Further the work focus on development of CVD deposition methods for large are growth and heterostructure preparation of layered chalcogenides.More details can be fund on web page of project:
https://itn-2exciting.chm.tu-dresden.de/positions/vscht/.

Synthesis of ligands for C-type lectin receptors

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programme: Chemie
Theses supervisor: Ing. Petra Ménová, Ph.D.

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Mammalian carbohydrate receptors (lectins) are involved in a number of vital processes, including pathogen recognition, uptake and processing, cell communication and cell migration.
DC-SIGN is a C-type lectin receptor found on the surface of immune cells, mainly dendritic cells and macrophages. It recognizes pathogens through the interaction with mannose-rich carbohydrates present in their glycocalyx. This interaction triggers the immune response, but is sometimes taken advantage of by certain pathogens to facilitate their spread in the host organism. Blocking this interaction has a high potential in the prevention of a number of diseases, including HIV or hepatitis C.
The aim of this thesis is to synthetize D-mannose- and L-fucose-based ligands specific for DC-SIGN receptor. The synthesized ligands will be studied for their selectivity for different C-type lectin receptors. The ligands will be used to study ligand-protein interactions in order to get better understanding of these complex processes.

System for remote monitoring of grey water reuse

Department: Department of Water Technology and Environmental Engineering, Faculty of Environmental Technology
Theses supervisor: doc. Ing. Jan Bartáček, Ph.D.

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One of the main obstacles to the use of treated gray water (i.e. water from bathrooms or washing machines) is the missing method for automatic detection of contamination in the treated waste water. As a result, it is not possible to use recycled water where there is a higher risk of end users exposure to the water contaminated with pathogens (e.g. washing machines, cleaning floors etc.).
In this project, we will develop an early warning system that will automatically detect disturbances in gray water treatment technology and especially the penetration of pathogenic organisms into the recovered water.

Systems of antioxidants for lipidic cosmetic formulations

Department: Department of Dairy, Fat and Cosmetics, Faculty of Food and Biochemical Technology

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In recent years the situation in cosmetic industry has changed. Synthetic emollients based on non-renewable raw materials and traditional synthetic preservatives and antioxidants are less used, therefore demands on the antioxidant system increase significantly. The aim of thesis is the proposal of antioxidant system for emollients based on renewable raw materials, determination of mutual effect of individual antioxidants and in optimal case the use of antioxidant synergism for lipid protection. Penetration of antioxidants to different skin layers in vitro is going to find out.

Tailoring metallic nanoparticles for specific plasmonic enhancement

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

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The focus of the work will be on assembly of plasmonic nanoparticles and fluorescent nanoparticles using DNA origami. Metal nanostructures are capable of massive enhancements of optical response, which arise from collective electromagnetic resonances called plasmons. The PhD work will consist of characterization of plasmon resonance (bulk and single particle) of metallic nanoparticles, DNA functionalization of plasmonic nanoparticles and optimization of the process of their self-assembly to desired orientation. Developed assemblies will serve to study spatial manipulation of light by plasmons.

Tailoring of nanostructure in mixed matrix membranes for selective removal of CO2 from biogas

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Theses supervisor: doc. Ing. Karel Friess, Ph.D.

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Membrane separation processes belong to modern technologically important separation methods, which are less demanding (economically and ecologically) in comparison with classical separation methods. For the gas separation applications, mainly polymer membranes are used. Their performance (permeability or separation effect) can be additionally adjusted by the targeted embedding of liquid or solid additives into the polymer matrix. The dissertation thesis will focus on the preparation, characterization, and testing of the so-called mixed matrix membranes for the separation of gases based on glassy polymers and functional nano-additives with a purposefully prepared structure. In addition, modeling of the separation process will be part of the work. The result of this work will be prepared and tested membrane material for the effective removal of CO2 from biogas and extension of knowledge in the given membrane field.

Technological utilization of streams comprising methylated cyclopentadiene derivatives

Department: Department of Organic Technology, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Tomáš Herink, Ph.D.

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The Diels-Alder reaction of cyclopentadiene and methylcyclopentadiene forms methyl derivatives of dicyclopentadiene. There are three positional isomers of methylcyclopentadiene therefore the Diels-Alder cycloaddition reactions result in a mixture of a number of co-dimers, referred to as methyldicyclopentadienes (MDCPD) and dimethyldicyclopentadienes (DMDCPD). The mixture of MDCPD and DMDCPD isomers is present in products of the pyrolysis of hydrocarbon mixtures. Due to the chemical reactivity of these co-dimers, the industrial end use can be assumed in applications such as the production of unsaturated polyester resins, epoxy resins or modified hydrocarbon resins. The main objective of the dissertation will be to assess the possibilities of using the mixtures of MDCPD and DMDCPD for the preparation of various types of resins, with regard to the variability in the composition and the presence of methyl groups. The obtained results will define the industrial possibilities of using MDCPD and DMDCPD mixtures and will be used for the conceptual technology design.

The authenticity of honey and other bee products

Department: Department of Food Preservation, Faculty of Food and Biochemical Technology

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Honey is widespread and the most important bee product. Due to the high price, its quality and authenticity are commonly violated. Frequently, it is the manufacturer's deliberate adulteration (addition of other ingredients to honey) or misleading indication of botanical or geographical origin. The project will be focused on verifying the authenticity of honey on its physicochemical parameters and chemometrics. The botanical origin of honey (floral, honeydew, unifloral) and its geographical origin will be also assessed based on these parameters. The evaluation of beeswax, which can be relatively easily adulterated with paraffins, stearic acid or palmitic acid, will be the second part of the project. This phenomenon can have a negative impact on the health of bee colonies and the chemical composition of honey. Experimental work will be done in cooperation with selected testing laboratories and will implement common and recent methods of food analysis (chromatography and isotopic methods, mass spectrometry, melissopalynology).

The benefit of 4-alkyl-L-proline motif for biological activity of microbial metabolites with distinct modes of action

Department: Department of Biotechnology, Faculty of Food and Biochemical Technology
Study programme: Biotechnologie
Theses supervisor: prof. Ing. Jan Masák, CSc.

Annotation

4-Alkyl-L-proline derivatives with a two- or three- carbon side chain represent rare building blocks of metabolites produced by Actinobacteria. Only five groups of compounds with remarkably distinct biological activities share this structural motif. The metabolites cover antimicrobial compounds with different spectrum of targeted microorganisms as well as metabolites with various antitumor effects. The modes of action of these metabolites are also diverse – they include interaction with bacterial ribosome (lincomycin), binding to the minor groove of DNA (pyrrolobenzodiazepines), and inhibition of bacterial enzymes participating in DNA synthesis (mycoplanecin). Target biological structures of the two remaining groups of compounds (hormaomycin, lucentamycin) are still elusive. Whereas the positive effect of the 4-alkyl side chain on the biological activity was well documented for lincomycin, the significance of this evolutionary and biosynthetically complex structural motif for the activity of the remaining metabolites is not clear. Within this project, we will prepare metabolites with incorporated 4-alkyl-L-proline derivative and their analogues with common L-proline and compare their relevant biological activity. The metabolites will be mostly isolated from the culture broth of producing strains including the use of semi-synthetic approaches (eg. precursor-directed biosynthesis or mutasynthesis) and modern analytical chemistry approaches. The project objective will be to evaluate the general benefit of the 4-alkyl-L-poline motif for the level of various biological activities. The new knowledge obtained may be exploited for the biotechnological preparation of efficient compounds potentially applicable in medicine.

The detection, quantification and separation methods of picoplankton

Department: Department of Water Technology and Environmental Engineering, Faculty of Environmental Technology

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The topic of the work will focus on picoplankton organisms (especially cyanobacteria), which are currently playing an increasingly important role in aquatic ecosystems. The work will focus on the real evaluation of water samples of waterworks or recreational reservoirs with the occurrence of picolanklanktic cyanobacteria (eg Fláje, Přísečnice, Stanovice, Hůrka, Most, etc.). New methods for detection and quantification of picolanklanktic organisms will be developed. The picoplanktic species will be detected by microscopic methods (light, fluorescence, epifluorescence, in situ hydridization), molecular biology methods (PCR, RT-PCR) will be used and the presence of genes responsible for organoleptic defects (geosmin production, etc.) or the production of cyanotoxins will be determined. Alternatively, the problems of water supply technologies suitable for the effective elimination of these small microorganisms will be discussed.

The development and application of organelle-targeted bioorthogonal cleavage reactions

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Milan Vrábel, Ph.D.

Annotation

Chemical reactions that can be performed under physiological conditions offer unique possibility to manipulate and study biological processes. Our group has a long-term interest in these, so-called, bioorthogonal reactions. They are mainly known as efficient chemical transformations leading to formation of covalent bonds. It has been only recently when the concept was extended to something what is known as bioorthogonal cleavage reactions. The power of this type of reactions is only slowly becoming recognized. In this project, we aim to develop and employ the release reactions, which will enable de-caging of small molecules within specific cellular compartments. We believe that such systems will offer not only a unique possibility to deliver and activate functional molecules within particular subcellular location, but in a broader sense, to shed light on the function of individual cellular organelles. This project combines organic chemistry with modern chemical biology experiments.

The development and application of organelle-targeted bioorthogonal cleavage reactions

Department: Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology
Theses supervisor: Ing. Milan Vrábel, Ph.D.

Annotation

Chemical reactions that can be performed under physiological conditions offer unique possibility to manipulate and study biological processes. Our group has a long-term interest in these, so-called, bioorthogonal reactions. They are mainly known as efficient chemical transformations leading to formation of covalent bonds. It has been only recently when the concept was extended to something what is known as bioorthogonal cleavage reactions. The power of this type of reactions is only slowly becoming recognized. In this project, we aim to develop and employ the release reactions, which will enable de-caging of small molecules within specific cellular compartments. We believe that such systems will offer not only a unique possibility to deliver and activate functional molecules within particular subcellular location, but in a broader sense, to shed light on the function of individual cellular organelles. This project combines organic chemistry with modern chemical biology experiments.

The effect of modern technologies on the quality traits of meat and meat products

Department: Department of Food Preservation, Faculty of Food and Biochemical Technology

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The red meat industry has been identified the variability in eating quality as a significant disadvantage to consumer demand. A more consistent eating quality can be a key differentiation and demand driver for specific meat products in the market. Consumer expectations of product performance and reliability, particularly tenderness and colour, will continue to rise. Quality based differentiation can provide significant benefits to consumer satisfaction and capture unrealised value for the Czech industry. The utilisation of novel technologies is a promising area to deliver alternative methods to the industry and provide a competitive advantage in the area of value-addition. The development of novel tenderisation methods can boost the profitability of the meat industry. With this respect, the effect of pulsed electric fields (PEF), high pressure processing (HPP), shockwave (SW), ohmic heating (OH) technology on meat and meat products quality traits will be investigated.

The effect of thermal pasteurization and thermal sterilization on the microbial stability of canned products

Department: Department of Food Preservation, Faculty of Food and Biochemical Technology
Theses supervisor: doc. Ing. Aleš Rajchl, Ph.D.

Annotation

Technological processes using the effects of thermal pasteurization and thermal sterilisation applied in the canning industry are not always sufficient, in particular, for elimination of some health and technological undesirable thermo-resistant microorganisms. Their resistance to high temperatures can be characterized as 'D' and 'z' values. In the past these inactivation parameters were detected in the foods model systems based on liquid cultivation media, but not in real solid foods, as it would be more appropriate. The doctoral thesis is focused on the determination of the heat characteristics ('D' and 'z' values) for selected microorganisms isolated from pasteurized or sterilized industrially produced canned products. Another area of interest is sublethal injury of microorganisms during thermal processes with subsequent reparation (or even resuscitation) ability of partly injured cells in the environments rich in proteins, magnesium and manganese ions, using modern and classical detection methods. The aim of the work is to submit an innovative complex of theoretical knowledge and experimental results for evaluation of microbial stability of heat-treated canned products during the protection of its health microbiological safety, technological harmlessness and standard quality.

The importance of topological indices for determining the similarity of molecules

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering
Theses supervisor: doc. Ing. Jan Mareš, Ph.D.

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Using molecular descriptors, it is possible to mathematically describe molecules. This is applied in many fields where it is necessary to look for new substances with specific properties or to predict unknown properties of substances. An important type of molecular descriptors are the so-called topological indices, which characterize a given molecule according to its size, degree of branching and overall shape. The work assumes (i) study of various types of molecular descriptors, especially topological indices (ii) study of correlations of specific topological indices with properties of molecules (iii) comparison of algorithmic complexity for calculation of specific topological indices (iv) implementation of selected algorithms for calculation of specific topological indices.

The mannose-6-phosphate/insulin-like growth factor 2 receptor as a target for memory enhancement and tumor suppression

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Theses supervisor: RNDr. Lenka Žáková, Ph.D.

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Identifying new compounds that effectively improve neurodegenerative disease is an urgent need. It has been recently shown that insulin-like growth factor 2 (IGF2) has an important role in enhancement of memory. IGF2 is a fetal growth factor that has also significant role in mature mammalian brain. The effect of IGF2 as a cognitive enhancer is rapid and persistent, and is mediated by mannose-6-phosphate/IGF2 receptor (M6P/IGF2R). M6P/IGF2R is a large transmembrane glycoprotein that except IGF2 can bind M6P-containing ligands and binding of one ligand may affect the binding another one. Moreover, overexpression of IGF2 plays important role in development of certain tumors and M6P/IGF2R can play a role as a tumor suppressor. This project is focused on (i) production of M6P/IGF2R or its constructs, (ii) preparation of IGF2R selective IGF2 analogues, and (iii) a libraries of small molecule compounds. This work should lead to important clinical applications of new IGF2 analogues.

The non-specific phospholipases C from Arabidopsis thaliana: structure-function relationship

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology

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This PhD work aims to elucidate the catalytic mechanism, structure and structure - function relationship of non-specific phospholipase C (NPC) from Arabidopsis thaliana. Six genes encoding NPCs (NPC1-NPC6) have been identified in the Arabidopsis thaliana genome. In our previous experiments with NPC4, it was found that this enzyme produces, besides the expected product - diacylglycerol, surprisingly also phosphatidic acid. This second activity seems to have been overlooked so far. In this project we will focus on the study of this phenomenon by mutagenesis and try to elucidate the structure and catalytic mechanism of these enzymes. The effect of mutations on plant phenotype will also be investigated.

The study of improvement of non-thermal discharges and their applicability for decontamination purposes

Department: Department of Physics and Measurement, Faculty of Chemical Engineering

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The aim of the work is to improve existing non-thermal electrical discharges and to analyze their decontamination properties. The term improvement means to increase the discharge current and power possibly to achieve qualitative change in the discharge regime without an undesirable phenomena such as the transition into the arc or spark discharge, the excessive release of heat in the discharge area etc. In general the improvement of discharges can be made in several ways, e.g. including of suitable component in to the electrical circuit of the discharge, changing of the electrode geometry, changing of the character of supply voltage or influencing of the created plasma between the discharge electrodes. The last case comprises additional supplying of flowing gas in to the area between electrodes, influencing of the plasma by electromagnetic field, ultrasound waves etc. Consecutively improved electrical discharge will be analyzed for surface or liquid decontamination purposes. There will be found out decontamination efficiency (percentage decrease of bacteria after discharge exposition) and energy yield of decontamination (the ratio of quantity of deactivated bacteria and the energy delivered into the process).

Theoretical investigation of electron transfer processes in bio-organometallic complexes

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Theses supervisor: RNDr. Mgr. Jan Heyda, Ph.D.

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Electron transfer processes play a central role in number of signalling and catalytic processes, which are vital for human life as well as for utilization in bio-inspired nanotechnology. Their theoretical investigation presents a challenging task, as it implicitly involves multiple electronic states and spam over several spatial- and temporal scales (femtoseconds to subnanoseconds). In this thesis, the candidate will employ state of the art ab-initio TD-DFT calculations in explicit solvent QM/MM setups within GPU-accelerated TERACHEM quantum calculation package to study the relaxation and time propagation of the system. At the initial laser irradiation, or near state-crossing geometries the adiabatic approximation breaks down. In order to gain an insight in these non-adiabatic events, SHARC quantum chemical package will be employed. Research stays in the group of prof. Gonzales (University of Vienna), developers of the SHARC software, are assumed. Theoretical results will be complemented by unique time-resolved spectroscopic data (prof. Vlček). Computational resources at local highly accelerated GPU-cluster and at national supercomputer infrastructure (IT4I) will be demanded and used.

Thermodynamic non-ideality in membrane separations

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

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The topic of the doctoral thesis is to study the key principles influencing membrane separations of liquids.

Thin films of multiferoic hexagonal ferrites with magnetoelectric properties

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programmes: Chemie, Chemistry
Theses supervisor: Ing. Josef Buršík, CSc.

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The scope of proposed PhD work involves in the experimental part the technology of preparation of ceramic samples and thin films of multiferoic hexagonal ferrites with magnetoelectric properties by soft chemistry routes, and their complex chemical, microstructural, structural and physical characterization. The PhD study will be focused to the Y- and Z-type hexaferrites studied in the form of ceramics and thin films. In particular, thin films will be prepared by means of chemical solution deposition methods using spin- or dip-coating deposition technique. Chemical investigation includes systematic study of their real (micro) structure (x-ray and neutron diffraction, electron microscopy) in relation to their functional properties. Physical investigations include measurements of electrical conductivity, dielectric properties complemented with the magnetic and magnetoelectric measurements (in cooperation with both domestic, and foreign physical laboratories).

Titanium oxides and titanates for advanced applications

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Theses supervisor: Ing. Jan Šubrt, CSc.

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Li-ion batteries are one of the most promising electrochemical power sources. Ti-based materials such as Li4Ti5O12, Li2Ti3O7, TiO2-B and H2Ti3O7, are considered as important anodes for Li-ion batteries due to their high safety and excellent cycling stability. Li-ion battery (LIB) technology (typically using carbon materials as the anode) faces serious challenges if it is to take over the hybrid electric vehicles and stationary power sources. Ti-based compounds, especially Li4Ti5O12 have been demonstrated as the most promising anode materials for large-sized LIBs since they exhibit excellent cycling reversibility and a high operating voltage to ensure improved safety. However, the rate capability of these Ti-based materials are relatively low because of a large polarization at high charge–discharge rates. To enhance its electrical conductivity, ion doping and surface modification, and ionic diffusivity by designing various nanosized materials were used. A new preparation method will be used based on the extraction of sulphate ions from the crystals of titanium sulphate hydrates and their replacement with hydroxyl groups in aqueous alkali solution. The method leads to nanostructured metatitanic acid or alkali titanates and is suitable also for metal doping the material.

Transcriptome analysis of acute injuries of the central nervous system

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programme: Bioinformatika
Theses supervisor: Mgr. Michal Kolář, Ph.D.

Annotation

The function of the central nervous system (CNS) is defined by the complexity of interactions between hundreds types of neurons, glial and vascular cells. The latest improvements in high-throughput gene expression technologies together with computational analyses allow to study the CNS complexity at unprecedented resolution. In this thesis, we aim to use the latest data collections and analysis techniques to conduct detailed transcriptomic description of ischemic brain injury and spinal cord injury in mice and rats. Firstly, bulk analysis will serve for coarse functional annotation of processes after injury. It will be complemented by deconvolution analysis to estimate cell type proportion changes and unsupervised co-expression analysis for identification of gene modules governing the response to injury. Network analyses will identify key drivers of the response and predict the mechanism of injury. Followed by generating single-cell and spatial transcriptomic datasets, coupled with the latest data integration tools, we aim to acquire detailed view on heterogeneity of response to ischemic and spinal cord injury at the single-cell level. Noteworthy, the observations will be related to various emerging cell atlases and thus complement incentives of the field.

Transformations of aerosol particles due to changes in gaseous environment

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: Ing. Vladimír Ždímal, Dr.

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The aerosol particles are omnipresent in the atmosphere, influencing many processes on the Earth starting from the global warming to health effects. They tend to be both in physical and chemical equilibrium with their gaseous environment, but due to dynamic changes in the atmosphere or during their transport to human lungs, the particles change during their lifetime. Therefore, it is necessary to study their answers to these changes to be able to predict their fate and effects after their release to or formation in the atmosphere. The study will be carried out using a newly developed system of laminar flow reactors enabling to control ambient conditions of particle neighborhood. The doctoral student is supposed to study these phenomena using advanced methods of aerosol instrumentation including on-line chemical and physical characterization of particles by aerosol mass spectrometry. Required education and skills
• Master degree in chemical engineering, physical chemistry, organic technology, chemical physics, meteorology ... ;
• willingness to do experimental work and learn new things;
• team work ability.

Transparent ceramics for optical applications synthetized by pressure- or vacuum-assisted sintering methods

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Study programme: Chemistry (double degree)

Annotation

Transparent ceramics can compete with single crystalline materials not only in the stage of research and development but also in the final application. The thesis will be focused on the synthesis of oxide ceramics applicable in the laser or LED field, or utilizable at the detection of ionizing radiation. Spark plasma sintering (SPS) or vacuum sintering will be used for the processing of precursor powders whose optimal crystallinity and microstructure will be also the task of the thesis.

Transport of charge carriers in nanostructured and nanocomposite materials

Department: Department of Physics and Measurement, Faculty of Chemical Engineering
Theses supervisor: Ing. Přemysl Fitl, Ph.D.

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The topic of the thesis is theoretical and practical study of charge transfer mechanisms in nano-structured and nano-composite materials prepared in the form of thin films, coatings and aerogels. The aim of the thesis is to design models describing the charge transfer in real materials used for chemical sensors. The properties of the nanostructured samples will be measured in the Quantum Design - PPMS system, depending on the temperature and intensity of the magnetic field. The work involves (i) modeling and simulating the transport of charge carriers using the finite element method, (ii) designing and implementing software for managing, collecting and processing data obtained from PPMS system; (iii) seeking an analytical model describing the real (measured) properties of the samples depending on their nanostructure.

Triboelectric routes enabling plastic waste separation and recycling

Department: Department of Chemical Engineering, Faculty of Chemical Engineering
Theses supervisor: prof. Dr. Ing. Juraj Kosek

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Recycling is the most beneficial and eco-friendly way to treat large amount of plastic waste. However, conversely to a public belief, the majority of plastic waste is burned in incineration plants or stored in landfills instead of being recycled. The bottleneck of the plastic waste treatment originates in the pre-separation, as only precisely separated waste can be recycled. Even the incineration process requires the pre-separation of plastics, mainly the removal of polymers containing halogens that could otherwise form harmful gases during combustion. Current methods like manual separation, IR spectroscopy or methods based on density differences aren’t sufficiently effective. The new promising technique, triboelectric separation, is based on the idea that each plastic material reaches different electrostatic charge by tribocharging (charging by friction) and therefore charged plastic mixtures can be separated in electric field. The objective of this Ph.D. project is the establishment of experimental bases (systematic series of data) related to charging and discharging dynamics in powders, which will provide integrated description of these phenomena. The student will also investigate opportunities for control of surface charge and subsequent separation of dielectrics in electric field. The student shall challenge several open problems: (i) relation between ESC and mechanical/chemical properties of materials, (ii) electric charge dissipation, (iii) charging of powders under the conditions simulating real industrial production of industrially important powders, (iv) the effect of charge on fouling, (v) charging for separation and recycling of plastic materials. The project is a pioneering work which is desperately needed and is sufficiently challenging for a student with interest in physico-chemical fundamentals of previously described processes. The student will work with highly qualified Ph. D. students and postdocs in our research group and will also cooperate with our European partners. Our laboratory is well prepared for the research of electrostatic processes (Faraday cup, corona charging, high-voltage separator) and characterization of powder texture and material properties (micro-tomography, atomic force microscopy – AFM). Info: phone 220 44 3296, office B-145, e-mailjkk@vscht.cz, web http://kosekgroup.cz

Tribological properties of metallic biomaterials

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: doc. Ing. Pavel Novák, Ph.D.

Annotation

Metallic biomaterials (titatium alloys, stainless steel, cobalt alloys) are frequently applied as joint replacement in human body. During the use of these materials, the wear occurs depending on the material and the wear debris can enter the tissue, causing the inflammation. Therefore there is an aim to apply the materials with highest possible wear resistance and even to improve it by suitable coatings. However, wear resistance of metallic biomaterials is not so easy to be determined, because the corrosion attack by the componets of the body environment plays important role in addition to the contact with the counterpart (acetabulum implant). This work is focused on the determination of suitable test conditions, simulating tribological and tribocorrosion loading joint and other specific (e.g. spinal) implants and determination of their tribological and tribocorrosion behaviour. The effect of various parameters - mechanical properties, microstructure and phase composition of the alloys and processing route (casting, forming, powder metallurgy, 3D print) - on resulting tribological characteristics will be described.

Tuning of defect-related luminescence in single- and nano-crystalline ZnO using systematic rare-earth doping for the use in photonics

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology

Annotation

Project is dealing with very attractive material ZnO design doped with rare-earth (RE) from experimental as well as theoretical point of view. Newly project going to respect to the modification and creation of intrinsic and extrinsic ZnO defects and how the combination of RE with defects or other elements can be utilized for the tuning of UV-VIS-NIR luminescence. Fabricated ZnO single-crystalline and nanostructured samples will be tested in photonic devices with tunable luminescence in UV-VIS-NIR and for degradation of water pollutants.

Two-dimensional materials as a catalytic support

Department: Department of Organic Technology, Faculty of Chemical Technology
Theses supervisor: Ing. Martin Veselý, Ph.D.

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Two-dimensional (2D) materials exhibit increased catalytic activity in 2D material supported metallic nanoparticles in comparison with their bulk counterparts. The increase in activity attributes to specific 2D support-nanoparticle interactions. The project is focused on an investigation of the specific interactions for graphene, as reference support, and ‘materials beyond graphene’ based on phosphorus, arsenic, antimony, and bismuth. To suggest a mechanism of the specific interactions, we will investigate a spatial-temporally resolved catalytic activity of supported catalyst prepared by lithography and chemical routes. By tuning of a spatial distribution and size of the active sites, we will identify individual contributions, including an exclusive effect of the support, causing the increase in catalytic activity. The suggested mechanism, also verified by standard methods of catalytic testing, will bring a new insight into the understanding of nanoparticles-2D support interaction and open new possibilities for the rational design of 2D material supported metal catalysts.

Use of ultrafiltration in nuclear energy

Department: Department of Power Engineering, Faculty of Environmental Technology
Study programme: Energie a paliva
Theses supervisor: doc. Dr. Ing. Helena Parschová

Utilisation of aerogels for gas sensors

Department: Department of Physics and Measurement, Faculty of Chemical Engineering
Theses supervisor: Ing. Přemysl Fitl, Ph.D.

Annotation

Significant development of technology of nanomaterials in the last two decades has enabled the preparation of a wide range of materials for sensoric applications with unique structure and properties. Relatively simple supercritical drying technique, can be used to prepare active layers from the materials used for gas sensors in the form of aerogels. From the point of view of chemical sensors, such nanostructured materials show unique properties in many ways (high sensitivity and selectivity, large active surface). The aim of the work will be the design and implementation of sensors based on aerogels formed by inorganic oxides and their possible chemical (selective organic receptors, surface tension modifiers) and physical modification (laser annealing, incorporation of catalytically active nanoparticles). Impedance spectroscopy and UV-VIS-NIR spectrometry will be used to evaluate the sensor response.

Value-based Analysis of Industrial Innovation Externalities

Department: Department of Environmental Chemistry, Faculty of Environmental Technology

Annotation

Public policies, corporate strategies and the general public increasingly look at the real or potential external impacts of industrial innovations, frequently in an unsystematic manner, and often with unintended consequences. Accordingly, the research analyzes new technological solutions in industry with a focus on their aggregate impacts, including feedbacks of price-setting mechanisms, incentives and regulatory policies, as well as the unintended functional consequences in relevant processes and systems, including social systems

Virtual screening in chemical biology

Department: Department of Informatics and Chemistry, Faculty of Chemical Technology
Study programme: Bioinformatika
Theses supervisor: doc. Mgr. Daniel Svozil, Ph.D.

Annotation

Chemical biology is a scientific discipline that attempts to answer biological questions by directly probing living systems at the chemical level. The main application area of chemical biology is the development and characterization of organic compounds that are used for the study of various biological systems. The key experimental method used in chemical biology is high-throughput screening (HTS) that enables to quickly assess the biological activity of thousands of compounds at once. Because of its high time and cost demands, it is usually preceded by virtual screening, a computational technique used to search libraries of small molecules in order to identify those compounds which are most likely to bind to a given molecular target. The dissertation is focused on the application of advanced virtual screening methods for the identification of ligands active against various molecular targets (e.g., juvenile hormone receptor) with the aim to gain deeper insight into their biological behavior.

Virulence Mechanisms of the genus Bordetella

Department: Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology
Study programmes: Mikrobiologie, Microbiology
Theses supervisor: RNDr. Jana Kamanová, Ph.D.

Annotation

Pathogenic Bordetella species cause respiratory infections in mammals. While B. bronchiseptica is primarily an animal pathogen, B. pertussis is the causative agent of the whooping cough disease in humans. The PhD thesis aims to reveal the novel mechanisms of Bordetella virulence by genome-wide CRISPR/Cas9-mediated screen. A pool of knock-out human epithelial cells will be generated by an already validated gRNA library. Following Bordetella infection, the candidate genes that confirm the sensitivity of epithelial cells to Bordetella cytotoxicity will be determined. The hits will be further validated and their role in susceptibility to Bordetella infection confirmed.

Visualization with plasmonic nanoparticles using single molecule microscopy techniques

Department: Department of Physical Chemistry, Faculty of Chemical Engineering

Annotation

The focus of the work will be on evaluating the magnitude of the fluorescence shifts and enhancement of plasmon-coupled fluorophores using single molecule localization microscopy and time-resolved single molecule spectroscopy. Single molecule localization microscopy overcomes the diffraction limit by calculating the center positions of a fluorescent spot based on the known point spread function of the optical microscope. While plasmonic coupling is known to strongly increase number of emitted photons from a fluorophore, it also appears to affect the position of the emission. The work will consist of visualization of assembled fluorophores with and without a plasmonic nanoparticles, data analysis and statistics.

Zinc alloys for medical applications prepared by modern methods of powder metallurgy

Department: Department of Metals and Corrosion Engineering, Faculty of Chemical Technology
Theses supervisor: Ing. Jiří Kubásek, Ph.D.

Annotation

Zinc and its alloys are considered as the biodegradable materials that can find applications such as orthopaedic implants or stents. The main advantage of zinc lies mainly in the acceptable corrosion rate and harmless degradation products. Corrosion of zinc does not lead to the release of hydrogen gas, which otherwise complicates the situation in the case of the degradation of magnesium-based materials. The main disadvantages of zinc and its alloys are poorer mechanical properties, especially yield strength, ultimate strength and ductility. Improvement of these properties can be achieved, for example, by suitable alloying. However, considering biocompatibility, the most acceptable alloying elements (Mg, Ca, Sr) are characterized by negligible solubility in the solid solution of zinc, which leads in conventional processing to the formation of various intermetallic phases. The aim of this work is to prepare and characterize in detail new biodegradable materials based on Zn-Mg-Ca / Sr prepared by powder metallurgy processes including mechanical alloying, atomization, melt spinning and powder compaction by extrusion processes, spark plasma sintering (SPS) and selective laser melting (SLM). ). The prepared materials should be characterized by a very fine microstructure positively affecting the mechanical properties and the uniformity of corrosion attack. The work will further focus on the potential addition of a small amount of other alloying elements such as Ag and Cu, which can further contribute to the improvement of the antibacterial properties of the material. Close cooperation with the organizations like Institute of Metals and Technology, Ljubljana and the Institute of Materials and Machine Mechanics, SAS, Bratislava is expected.


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