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Chemie

Chemie

Doctoral programme, Faculty of Chemical Technology
CHYBI CHARAKTERISTIKA PROGRAMU

Cílem programu je výchova vysoce kvalifikovaných tvůrčích pracovníků s teoretickými i praktickými znalostmi v oblasti strategie, návrhů a praktického provedení syntéz speciálních anorganických a organických sloučenin, organických polymerů a materiálů. Naším záměrem je prohloubení chemických, fyzikálně-chemických a chemicko-inženýrských poznatků absolventa, který by měl být schopen samostatné tvůrčí činnosti a rozhodování v oblasti výzkumu a vývoje nejen v chemii, ale i v řadě příbuzných či interdisciplinárních oborů.

Careers

Absolvent bude schopen navrhovat cílené syntézy anorganických, organických a polymerních materiálů a koordinačních sloučenin s předem definovanými fyzikálními, elektrochemickými, katalytickými a biochemických vlastnostmi s využitím ve farmacii, nanotechnologiích, elektronice a katalýze, charakterizovat je a získaná data teoreticky interpretovat. V oblasti makromolekulární chemie bude připraven na řešení problémů spojených se zpracováním, recyklací a využitím polymerů při konzervaci a restaurování objektů kulturního dědictví. Získané znalosti se mohou podle povahy dizertační práce měnit v rozpětí od čistě experimentálně-interpretačních až po znalosti vycházející z kvantové mechaniky, termodynamiky nebo jiných teoretických modelů sloužících k popisu struktury a chování látek. Součástí získaných dovedností je i znalost informačních technologií, schopnost vést vědecký kolektiv, příprava a řízení projektu a publikační dovednosti absolventa.Nezanedbatelnou součástí získaných dovedností je dokonalá znalost informačních technologií, umožňující rychlou orientaci v problematice, stejně jako schopnost komunikovat o daných problémech s neodborníky nebo zástupci jiných vědních oborů. Důraz je také kladen na získání většího mimo-odborného rozhledu absolventa, včetně základních právních a sociálních aspektů vědecké práce. Součástí profilu absolventa, umožňující jeho větší uplatnění na současném dynamicky se měnícím trhu práce, je také schopnost vést vědecký kolektiv, příprava a řízení projektu a v neposlední řadě publikační a komunikační dovednosti absolventa.

Programme Details

Language of instruction Czech
Standard length of study 4 years
Form of study Full time
Guarantor of study programme prof. Ing. Pavel Lhoták, CSc.
Programme Code D103
Place of study Praha
Capacity 20 students
Number of available PhD theses 58

List of available PhD theses

2D materials for heterogeneous catalysis

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
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
Also available in programme: Chemistry
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
Also available in programme: Chemistry
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).

Advanced composites based on magnesium oxychloride and layered nanomaterials

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology

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 macromolecular systems for the genetic vaccine delivery

Department: Department of Polymers, Faculty of Chemical Technology
Also available in programme: 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.

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

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: 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 Glyantrypine-Based Pyrazinoquinazoline Alkaloids and Analogs

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: 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.

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

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: 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.

Biodegradable bone cements

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

Annotation

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.

Calixarene analogues containing pyridine rings

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: prof. Ing. Pavel Lhoták, CSc.

Annotation

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).

Carbohydrate-based ligands for lectin targeting

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

Annotation

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.

Catalytic synthesis of biodegradable polymers based on carbon oxides

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

Annotation

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.

Ceramic composite filters for water treatment

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology

Annotation

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.

Chemistry of inorganic analogues of graphene - nanostructures based on pnictogens

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

Annotation

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
Also available in programme: Chemistry

Annotation

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.

Comprehensive approach to structural analysis of novel polycyclic diterpenes from termites

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: 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.

Covalent catalysis with flavins

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: 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.

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

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: 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 novel photoswitches derived from heteroarylazobenzenes and bis-azobenzenes

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: 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 prodrugs of acyclic nucleoside phosphonates

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: 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.

Development of new chemical tools to study cell-cell interactions

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: Ing. Milan Vrábel, Ph.D.

Annotation

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.

Enantioselective catalysis under the control of helical chirality

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: RNDr. Ivo Starý, CSc.

Annotation

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.

Equilibrium and kinetics in mechanochemical processes

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

Annotation

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.

Fullerene complexation using higher calixarenes/thiacalixarenes

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: 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.

Heterogeneous catalysis on self-assembled organic semiconductors

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
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.

Inorganic fillers and sorbents

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Also available in programme: 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.

Layered chalcogenides for energy storage applications

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Also available in programme: 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 forms of silicon and germanium and their optical properties and applications

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Also available in programme: 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.

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

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: 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.

Mechanochemical indicators for optical spectroscopy

Department: Department of Organic Chemistry, Faculty of Chemical Technology
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.

Microwave photochemistry and preparation of polyaromatics

Department: Department of Polymers, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: Dr. Ing. Vladimír Církva

Annotation

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.

Modification of metal surfaces by helicenes for molecular sensing

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

Annotation

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
Also available in programme: Chemistry
Theses supervisor: prof. Ing. Michal Hocek, DSc.

Annotation

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 synthesis of silane dendritic materials

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: Ing. Tomáš Strašák, Ph.D.

Annotation

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 composites of polyamides

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

Annotation

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.

NMR crystallography of active pharmaceutical ingredients

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: Ing. Jiří Brus, Ph.D.

Annotation

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.

Nanostructures based on MXene type layered carbides

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

Annotation

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.

New deazapurine nucleosides and nucleotides as potential antivirals or cytostatics

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: prof. Ing. Michal Hocek, DSc.

Annotation

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 heterocyclic inhibitors of selected protein kinases

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: prof. Ing. Michal Hocek, DSc.

Annotation

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

Department: Department of Organic Chemistry, Faculty of Chemical Technology

Annotation

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.

Nonplanar unconventional pi-electron systems

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: RNDr. Irena Stará, CSc.

Annotation

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 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
Also available in programme: 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
Also available in programme: 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.

Polyamide nanocomposites

Department: Department of Polymers, Faculty of Chemical Technology
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.

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

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

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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 polyaromatics for molecular optoelectronics

Department: Department of Polymers, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: Ing. Jan Storch, Ph.D.

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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.

Quantum-chemical modeling of catalysts for olefin living coordination polymerizations

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

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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).

Rational design of flavin photocatalysts

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: 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.

Synthesis and Applications of Novel Phosphinate Metal-Organic Frameworks

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Also available in programme: 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
Also available in programme: 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 of 2D nanomaterials by "bottom-up" processes

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Also available in programmes: Chemistry, Chemistry
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 chiral carboranes and metallacarboranes, their separation and interactions with organic systms

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Also available in programme: 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
Also available in programme: Chemistry
Theses supervisor: Ing. Jan Storch, Ph.D.

Annotation

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
Also available in programme: 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
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 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
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.

The development and application of organelle-targeted bioorthogonal cleavage reactions

Department: Department of Organic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: Ing. Milan Vrábel, Ph.D.

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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.

Thin films of multiferoic hexagonal ferrites with magnetoelectric properties

Department: Department of Inorganic Chemistry, Faculty of Chemical Technology
Also available in programme: Chemistry
Theses supervisor: Ing. Josef Buršík, CSc.

Annotation

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).


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