Department of Glass and Ceramics

Granting Departments:	Department of Glass and Ceramics
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	prof. RNDr. Ondrej Gedeon, Ph.D., DSc.

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Glass surface is the poorly explored area, but it is closely related to its mechanical and chemical properties. The work will focus to the preparation of model glass surfaces, their characterization and modifications with ionising radiation and to the interaction of the surface with water.

Department of Informatics and Chemistry

Granting Departments:	Department of Informatics and Chemistry
Study Programme/Specialization:	Bioinformatics ( in English language )
Supervisor:	prof. Mgr. Daniel Svozil, Ph.D.

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In this industrial PhD project, the candidate will join a dynamic team at the intersection of Cheminformatics, Artificial Intelligence, and NMR, focusing on Drug Design. The role involves enhancing AI|ffinity's NMR-AI platform components for virtual screening, hit discovery, and lead optimization. This task includes developing innovative software solutions for one or more of the following applications: 1. Enhancing 2D molecular representations to bolster the accuracy of ligand-based virtual screening, utilizing 1D NMR screening spectra. 2. Improving AI-driven, structure-based lead optimization algorithms, harnessing the power of 1D NMR restraints. 3. Innovating in de novo drug design algorithms by leveraging ligand epitope information from 1D NMR screening experiments. The project offers practical application of these tools in real-world drug discovery, in collaboration with AI|ffinity and its partners, and includes an international industrial internship for global exposure and insights, directly contributing to drug development.

Granting Departments:	Department of Informatics and Chemistry
Study Programme/Specialization:	Bioinformatics ( in English language )
Supervisor:	Ing. Martin Šícho, Ph.D.

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The PhD project focuses on the application of explainable artificial intelligence (XAI) in the field of computer-aided drug design. It aims to develop new methodologies that make the decision-making processes of AI models in drug discovery more transparent and understandable. The project will explore how XAI can improve the reliability of predictive models used for identifying potential drug candidates. A significant aspect of the research will involve integrating XAI approaches with existing drug design algorithms to enhance their interpretability. Ultimately, this project seeks to bridge the gap between advanced AI techniques and practical pharmaceutical applications, fostering more efficient and informed drug development.

Department of Inorganic Chemistry

Granting Departments:	Department of Inorganic Chemistry
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	doc. Ing. Kateřina Rubešová, Ph.D.

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The aim of this Ph.D. thesis is to develop a new type of high-capacity silicon-based anode materials for Li-ion batteries. Unique nanoengineered silicon based materials and composites will be prepared using chemical synthesis methods and low-temperature plasma-enhanced chemical vapor deposition (PECVD). The Ph.D. student will investigate the mechanism of stress accommodation and interface changes in silicon-based anode materials in contact with quasi-solid and solid electrolytes in Li-ion batteries. New approaches will be pursued for silicon interface engineering using different (i) silicon and nanosilicon structures, morphologies and composites, (ii) doping, (ii) pre-lithiation, and (iv) external pressure. The effects of these approaches will be explored in half cells and full cells using advanced structural, chemical, and electrochemical characterization techniques, including operando X-ray diffraction and operando Raman spectroscopy. These experiments will shed light on the fundamental principles of lithiation and delithiation processes occurring at the interfaces between novel silicon and solid or quasi-solid electrolytes. The experiments will also allow us to identify suitable conditions for avoiding long-term capacity fading and obtaining highly reversible lithiation of silicon anode materials in Li-ion batteries. Mastering the fabrication of silicon materials will enable the creation of stress-tolerable interfaces with low energy barriers for lithium diffusion and ultra-high capacity, paving the way for the future generation of all-solid-state and semi-solid-state lithium batteries.

Granting Departments:	University of Caen Normandy Department of Inorganic Chemistry
Study Programme/Specialization:	Chemistry ( in Czech language , Double Degree )
Supervisor:	prof. Dr. Ing. David Sedmidubský

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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.

Granting Departments:	Department of Inorganic Chemistry
Study Programme/Specialization:	Chemistry ( in English language )
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.

Granting Departments:	Department of Inorganic Chemistry
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	prof. Ing. Zdeněk Sofer, Ph.D.

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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.

Granting Departments:	Department of Inorganic Chemistry
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	prof. Ing. Zdeněk Sofer, Ph.D.

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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.

Granting Departments:	Department of Inorganic Chemistry
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	prof. Ing. Zdeněk Sofer, Ph.D.

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

Granting Departments:	Institute of Photonics and Electronics of the CAS, v. v. i. Department of Inorganic Chemistry
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Ing. Jan Mrázek, Ph.D.

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The increasing power of infrared radiation sources requires new materials with increased luminescence efficiency and temperature stability. Rare earth-doped nanocrystalline materials represent a suitable alternative to conventional glass and single crystals. The work targets the preparation and characterization of transparent nanocrystalline materials on the system Y2O3-Al2O3-SiO2 doped with rare earth elements. The effects of the composition and conditions of preparation on the reaction and growth mechanisms of nanocrystals evenly distributed in an amorphous matrix will be studied. The studied system's composition will be modified to reduce the phonon energy of nanocrystals and increase the luminescence efficiency in the infrared region. A theoretical model of energy transfer in rare-earth ions will be elaborated, and the results will be compared with experimental results of luminescence measurements. Selected materials will be used for the preparation of active optical fibers, which will be tested in fiber laser set-ups.

Granting Departments:	Department of Inorganic Chemistry
Study Programme/Specialization:	Chemistry ( in English language )
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.

Granting Departments:	University of Caen Normandy Department of Inorganic Chemistry
Study Programme/Specialization:	Chemistry ( in Czech language , Double Degree )
Supervisor:	doc. Ing. Kateřina Rubešová, Ph.D.

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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.

Granting Departments:	Department of Inorganic Chemistry
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	prof. Ing. Zdeněk Sofer, Ph.D.

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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.

Department of Inorganic Technology

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. 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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. Ing. Tomáš Bystroň, Ph.D.

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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.

Granting Departments:	Slovak University of Technology in Bratislava Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in Czech language , Double Degree )
Supervisor:	doc. Ing. Jaromír Hnát, Ph.D. doc. Ing. Matilda Zemanová, PhD.

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The aim of this project is the development of an efficient electrocatalyst for cathodic hydrogen evolution reaction (HER) in an alkaline environment. Developed catalyst will be based on galvanic modification of the appropriate substrate by non-Pt elements of transition metal group. After identification of the substrate, optimal coating’s properties and deposition method the technique will be transferred to the 3D porous electrodes to enhance process efficiency and tested in a laboratory and pilot scale alkaline water electrolysis cell.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. Ing. Martin Paidar, Ph.D.

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High temperature water electrolysis represents a modern technology closely related to the optimization of operational conditions of the traditional as well as novel high capacity power sources used nowadays to the stabilization of the electricity distribution grid. Stabilization requirement is caused by the strongly increasing capacity of the unstable renewable energy sources connected to the distribution grid.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. Ing. Tomáš Bystroň, Ph.D.

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An attention of the numerous laboratories around a globe is focused on the issue of the PEM type fuel cells operational temperature increase above 100 ºC. The globaly accepted approach to solve this problem consists in application of basic polymers impregnated with phosphoric acid as an electrolyte and carbon supported Pt nanoparticles as an electrolyte. The main obstacle of this approach represents leaching of the phosphoric acid into the catalytic layer and its corrosion aggressivenes at the fuel cell operational conditions. Solution of this issue, together with understanding understanding of the degradation processes at elevated temperature represents basic requirement for further development and wider application of this technology in future.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. Ing. Tomáš Bystroň, Ph.D.

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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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. Dr. Ing. Vlastimil Fíla

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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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. Dr. Ing. Vlastimil Fíla

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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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	Ing. Roman Kodým, Ph.D.

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Mathematical modeling represents an extraordinary powerful tool for deeper understanding of the electrochemical units function and their subsequent optimization. Within the framework of this project the attention will focus on the mathematical description of the local transport of electric current, mass or heat etc. in electrochemical and electromembrane systems (fuel cells, PEM electrolysis, electrodialysis, solid-oxide high temperature electrolysis) and investigation of mechanism and kinetics of electrochemical reactions. The models formulated on the base of PDE equations will be implemented to simulate systems with a practical impact.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. Ing. Martin Zlámal, Ph.D.

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Membrane separations are widely used especially in the water treatment processes. Another key application is in the field of chemical industry, where concentrated solutions are mostly used. However, higher concentrations of solutions bring several problems such as back diffusion, solubility limit and membrane stability to the separation process. It is therefore necessary to understand and describe these phenomena and their influence on the membrane separation process itself to predict the long-term a behaviour of the system.

Granting Departments:	KU Leuven, Belgium Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in Czech language , Double Degree )
Supervisor:	doc. Dr. Ing. Vlastimil Fíla prof. Ivo Vankelecom

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Gas membrane separation represents the perspective and energy-saving alternative with respect to the present separation processes (PSA, TSA, amine extraction, rectification, etc.). Most of the membranes industrially applied are based on polymeric materials having low permeability and/or selectivity. In the frame of this work the mixed matrix membranes combining the perspective properties of 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, or their post-synthesis modified variants will be used as filler, and combined with polymeric matrix based on newly synthesized and/or industrially available polymers. The aim of this study is the preparation and characterization of membranes for different industrial applications. The target application will be defined upon agreement based on the actual research carried out in cooperating laboratories (e.g. processing of exhaust gases from power plants and other industrial processes, separation of CO2 from biogas, separation of H2 from streams containing CO2 and/or hydrocarbons, separation of hydrocarbons, etc.). In the frame of this work, the problematics of polymer-filler interactions and the development of new materials aiming to increase the thermal and chemical stability, selectivity, and permeability of prepared membranes will be studied.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. 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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. Dr. Ing. Vlastimil Fíla

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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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
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.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. Ing. Miloslav Lhotka, Ph.D.

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Scanning isotherms provide important information about the pore network geometry, including its connectivity and pore size distribution, which cannot be revealed from the main adsorption and desorption isotherms. To analyze the connectivity of the porous network in ordered mesoporous materials, N2 adsorption–desorption isotherms and their corresponding scanning of the hysteresis loops at temperature 77 K will be studied.

Granting Departments:	Department of Inorganic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	prof. Dr. Ing. Karel Bouzek

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Water electrolysis represents an important part of the hydrogen economy considered nowadays as a promissing 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 arround 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.

Department of Metals and Corrosion Engineering

Granting Departments:	Department of Metals and Corrosion Engineering
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Ing. Filip Průša, Ph.D.

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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.

Granting Departments:	Department of Metals and Corrosion Engineering
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	doc. Ing. Tomáš Prošek, Ph.D.

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To assure safe operation of the infrastructure for transport and storage of hydrogen advancing the goals of decarbonisation of Europe, this project will focus on understanding into the effect of environmental parameters on processes controlling entry of atomic hydrogen into materials in contact with pressurized hydrogen. The risk of hydrogen embrittlement is affected by the quantity of diffusible hydrogen present in metallic material, with thresholds depending on material composition and microstructure. The role of environment (temperature, pH, redox potential, corrosivity, presence of recombination poisons), surface reactions (including adsorption) and surface state (contamination, oxide film, corrosion products) in hydrogen entry in dry pressurized hydrogen, humid hydrogen and water electrolyte in contact with pressurized hydrogen will be investigated. Critical factors controlling the entry and critical application conditions will be identified through understanding the underlying processes. Experiments combining exposures in deuterated water and gaseous hydrogen with the potential to gain deeper insight into the entry mechanism will be carried out at together with an Austrian partner. Industrial support with samples and advanced analytics will be provided by a major operator of underground storages in the Czech Republic. Machine learning techniques will be applied to treat the obtained data and find interdependencies.

Granting Departments:	Department of Metals and Corrosion Engineering
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	doc. Ing. Tomáš Prošek, Ph.D.

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Additive manufacturing (AM) provides the possibility of a step change in material efficiency by increasing the ‘buy-to-fly’ ratio by reducing material waste, design optimisation by placing material only where it is needed in a component, and the possibility of repair of components to dramatically extend service life. For these benefits to be fully realised, optimised circular approaches to AM are required including the use of recycled materials, improved feedstock (powder) manufacturing with increased yields, manufacturing with low or no defects and resultant parts with excellent performance including the ability to repair and remanufacture to dramatically improve life span. In order to reduce the carbon footprint of car production, this project will aim at optimization of additive manufacturing technologies in order to reach longer lifetime of produced tooling for car part production at reduced manufacturing environmental costs. It will be allowed by deeper understanding into the relationship between the properties of metal powder, manufacturing parameters and application properties. Tooling with improved corrosion, wear or heat resistance will thus be produced. In particular, the project will look at (1) understanding into the effect of powder composition on final performance of produced parts, (2) increase powder re-use or application of powders made of recycled metals, (3) optimization of post-treatment techniques such as fine machining, heat treatment and nitridation, (4) development of methodologies for assessment of product durability, including advanced defectoscopy techniques, mechanical tests and corrosion resistance, and (5) identification of areas where material or energy savings can be reached without compromising the application properties. The project will be carried out with the support of a major Czech car manufacturer and in cooperation with an Australian university.

Granting Departments:	Department of Metals and Corrosion Engineering
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	doc. Ing. Tomáš Prošek, Ph.D.

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To advance the goals of decarbonisation of Europe, ways for increasing safety of metallic materials used for hydrogen storage and transport need to be sought, increasing the availability of hydrogen as an energy source. Within this study, possibilities for limiting the risk of hydrogen entry to new steel parts and existing steel installations by surface modification and coatings will be investigated. Namely, formation of protective oxide films, surface active inhibitors, and metallic or organic coatings will be studied. The aim will be to identify coatings and surface modification technologies capable of efficient and long-term reduction of atomic hydrogen formation and entry, or forming a barrier between gaseous hydrogen and steel, or otherwise reducing the sensitivity to hydrogen embrittlement. Series of experiments will be carried out to understand the role of different surface treatments in surface hydrogen activity and transport properties of hydrogen in coating materials using advanced techniques available in the hydrogen laboratory of Technopark Kralupy. Selected solutions will be tested in pressurized hydrogen. For the retrofitting applications, surface treatment of materials from natural gas storage facilities will be used. Access to natural gas storage facilities and their typical materials will be provided by a major operator of underground storages in the Czech Republic.

Granting Departments:	Department of Metals and Corrosion Engineering
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	doc. Ing. Milan Kouřil, Ph.D.

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Corrosion of steel reinforcement is a major cause of damage to reinforced concrete structures, causing huge economic damage and posing a safety risk. The protection of reinforcement against corrosion has not yet been satisfactorily addressed. The approaches being developed are based on the selection of more resistant materials, the use of appropriate surface treatments and the application of corrosion inhibitors, sealing agents and electrochemical methods of corrosion protection. In particular, the use of electrochemical techniques to accelerate the transport of corrosion inhibitors to the reinforcement and to increase the effect of sealing agents will be studied. Methods for electrochemical testing of the effectiveness of these protective techniques will be developed.

Granting Departments:	Department of Metals and Corrosion Engineering
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Ing. Filip Průša, Ph.D.

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Metallic materials are nowadays reaching many application limits regarding their mechanical properties, which can not be further overcome by common techniques, including microstructural refinement or intensive plastic deformation. Therefore, incorporating new phase particles such as oxide or carbides seems to be highly perspective due to their ability significantly strengthen the alloys. In the frame of the dissertation, the possible utilization of waste materials to improve the properties of modern alloy systems will be studied.

Department of Organic Chemistry

Granting Departments:	Department of Organic Chemistry
Study Programme/Specialization:	Chemistry ( in Czech language )
Supervisor:	prof. Ing. Pavel Lhoták, CSc.

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The aim of this work is focused on the design and synthesis of higher calixarene analogues (with five or more phenolic subunits) that could be applied as receptors for 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.

Granting Departments:	Department of Organic Chemistry
Study Programme/Specialization:	Chemistry ( in Czech language )
Supervisor:	prof. Ing. Michal Kohout, Ph.D.

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High performance liquid chromatography (HPLC) is the world’s leading method for separation of chemical mixtures. Despite undoubtful progress in numerous areas of this field in recent years, resolution of polar ionised and ionisable analytes still represents a very challenging task to solve. Moreover, most advancements achieved are of purely academic nature and are not transferred into any actual technology used in practice. The present Ph.D. project covers the full scope of research and development of a new portfolio of brush-type stationary phases bearing ion-exchange selectors intended for both chiral and achiral separations of ionised and ionisable compounds. The candidate is expected to synthesise a new library of cation exchangers (CX), anion exchangers (AX) and zwitterion ion exchangers (ZW) derived from natural precursors (e.g., cinchona alkaloids, amino acids, etc.). The prepared selectors will be immobilised to silica gel solid support and tested as separation media for various sets of analytes (e.g., amino acids, organic acids, basic drugs, short peptides, etc.). In collaboration with our laboratory spinoff - Galochrom s.r.o., the synthesis of the stationary phases with the best separation performance will be scaled-up and marketed as a part of the new generation of Galochrom’s product portfolio. Therefore, a direct industrial impact of the Ph.D. project is expected.

Granting Departments:	Department of Organic Chemistry
Study Programme/Specialization:	Drugs and Biomaterials ( in Czech language )
Supervisor:	prof. Ing. Michal Kohout, Ph.D.

Annotation

High performance liquid chromatography (HPLC) is the world’s leading method for final purification of most active pharmaceutical substances. Despite undoubtful progress in numerous areas of this field in recent years, resolution of polar ionised and ionisable analytes still represents a very challenging task to solve. Moreover, most advancements achieved are of purely academic nature and are not transferred into any actual technology used in practice. The present Ph.D. project covers the full scope of research and development of a new portfolio of brush-type stationary phases bearing ion-exchange selectors intended for both chiral and achiral separations of ionised and ionisable compounds. The candidate is expected to synthesise a new library of cation exchangers (CX), anion exchangers (AX) and zwitterion ion exchangers (ZW) derived from natural precursors (e.g., cinchona alkaloids, amino acids, etc.). The prepared selectors will be immobilised to silica gel solid support and tested as separation media for various sets of analytes (e.g., amino acids, organic acids, basic drugs, short peptides, etc.). In collaboration with our laboratory spinoff - Galochrom s.r.o., the synthesis of the stationary phases with the best separation performance will be scaled-up and marketed as a part of the new generation of Galochrom’s product portfolio. Therefore, a direct industrial impact, particularly on pharmaceutical industry, of the Ph.D. project is expected.

Granting Departments:	Department of Organic Chemistry
Study Programme/Specialization:	Chemistry ( in Czech language )
Supervisor:	prof. Ing. Radek Cibulka, Ph.D.

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The use of excited organic anions as photoredox catalysts offers several advantages as compared to commonly used neutral molecules, particularly in reductive chemistry. This project aims to explore the photophysical and chemical properties of anionic forms of flavin derivatives. Based on the results, new photocatalytic systems using excited flavin anions will be designed with a focus on photoreductions beyond the current scope of photoredox catalysis.

Granting Departments:	Department of Organic Chemistry
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Markéta Rybáčková, Ph.D.

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Planar chiral [2.2]paracyclophanes featuring rigid structure and chemical stability have been widely applied e.g. in asymmetric synthesis. Aza[2.2]paracyclophanes, also known as pyridinophanes, are quite rare but intriguing compounds with interesting chiroptical properties. They have been employed as enantioselective catalysts. The aim of the work will be the synthesis of novel nucleophilic fluorination reagents bearing a chiral aza[2.2]paracyclophane unit and their application in enantioselective synthesis.

Granting Departments:	Department of Organic Chemistry
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Markéta Rybáčková, Ph.D.

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Triptycenes are intriguing organic molecules that have found applications in several scientific fields, including supramolecular and materials chemistry, due to their unique properties and rigid framework. Yet, their potential in asymmetric synthesis and catalysis remains to be unveiled. Heterotriptycenes, which contain a heteroarene ring as a part of the bicyclo[2.2.2]octane core, are quite novel class of compounds. The aim of the work will be synthesis of fluorination reagents based on chiral azatriptycene unit and their application in enantioselective synthesis.

Granting Departments:	Department of Organic Chemistry
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	doc. Ing. Tomáš Tobrman, Ph.D.

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: Currently, most multicomponent reactions make use of three or four components. In both cases, the reactions can be catalyzed by transition metal complexes. However, transition-metal-catalyzed multicomponent reactions that use five or more components are rare. Therefore, the aim of this project is to develop new five- and six-component reactions catalyzed by transition metal complexes. The core components will be disubstituted, trisubstituted, and tetrasubstituted alkenes.

Granting Departments:	Department of Organic Chemistry
Study Programme/Specialization:	Chemistry ( in Czech language )
Supervisor:	prof. Ing. Pavel Lhoták, CSc.

Annotation

Pillar[n]arenes can be considered relatively new members of the family of phenolic macrocycles. Due to their unique cylindrical shape and electron-rich cavity with adjustable size, pillar[n]arenes have already found many applications in contemporary supramolecular chemistry. To name at least a few such applications, the sensing of various analytes, supramolecular self-assemblies, stimuli-responsive supramolecular polymers and model systems to study various noncovalent interactions can be mentioned. It is well known from the chemistry of calixarenes that the introduction of sulfur instead of common methylene bridges leads to dramatic changes in chemical and supramolecular behaviour of such systems. The aim of this project is the construction of pillararenes and their analogues bearing sulfur as the bridging units and the investigation of these new macrocycles including their characterization, derivatization and the study of supramolecular applications.

Department of Organic Technology

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. Ing. Eliška Vyskočilová, Ph.D.

Annotation

The aim of this thesis will be the production of biomass-based fine chemicals. Biomass-based sources will be, e.g., pinenes or furfural, and the fine chemicals produced would belong to the group of fragrances, pharmaceuticals, and others. The main aim would be optimizing the reaction conditions together with the chosen catalyst and the reaction course.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Drugs and Biomaterials ( in Czech language )
Supervisor:	prof. Ing. Petr Zámostný, Ph.D.

Annotation

High melting point drugs present a challenge in the formulation of amorphous solid dispersions, e.g. solid solutions with polymers, because the chemical stability of both the drug and the polymer makes it impossible to safely reach the eutectic melt formation temperature. Thus, solid dispersions are essentially formed by dissolving solid drug in the polymer melt, which creates both residence time and mixing requirements in the molten state, as well as requirements for compatibility of drugs and coformers to prevent undesired crystallization of the drug in the finished product. Therefore, this work will focus on the evaluation of compatibility of drugs and coformers by computational and experimental methods, stability of dispersions as a function of their composition and kinetics of drug dissolution in polymer melt. This main axis will be complemented by the study of the application properties of the formulations prepared with the possible support of an industrial partner. The work assumes a significant contribution to supervision from FHNW Basel.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	Ing. Iva Paterová, Ph.D.

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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.

Granting Departments:	KU Leuven, Belgium Department of Organic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in Czech language , Double Degree )
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.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	prof. Ing. Petr Zámostný, Ph.D.

Annotation

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.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	doc. Ing. Eliška Vyskočilová, Ph.D.

Annotation

Essential oils and extracts from plants known for their medicinal effect contain a wide range of different substances, but not all of them have biological activity. Several procedures can be used to isolate individual biologically active compounds from plant extracts and essential oils. One of them is solid phase extraction, in which a very effective and selective separation can be achieved by choosing an optimal combination of stationary and mobile phase. Molecularly imprinted polymers (MIPs) could be a suitable alternative to conventionally used stationary phases. The advantage of MIPs is their stability, both physical and chemical. The MIP preparation process, in which cavities complementary to the desired separated molecule are formed in the polymer, is responsible for their high selectivity. It is also always necessary to optimize the preparation of the polymer itself (method, used monomers and cross-linkers, ratio of reactants, temperature, time), the process of extracting the template molecule from the polymer and, last but not least, the procedure of the solid phase extraction (conditioning of the solid phase, elution medium). Terpenic molecules will be selected for the dissertation, suitable MIPs will be prepared and the possibility of separation the selected molecules from plants will be tested.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	prof. Ing. Petr Zámostný, Ph.D.

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The disintegration kinetics of tablets is a determining step for their overall dissolution behavior, as it determines the size and specific surface area of the fragments produced during their disintegration. This kinetics depends on the rate of penetration of the disintegration medium into the tablet microstructure, both into the pores and swelling components of the tablet, and the ability of the internal dissolution and swelling processes to disrupt the tablet cohesion. The aim of this work is to study the kinetics of water absorption into the tablet as a function of its composition and microstructure by means of textural analysis and microscopic measurements, to study the resistance of the tablet to erosive effects as a function of the amount of absorbed liquid as well as the size of the fragments formed as a result of these processes. The knowledge obtained should then be used to develop a fully or partially predictive model capable of predicting disintegration behavior based on the microstructure of the tablet and the physical properties of its components.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
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.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	doc. Ing. Eliška Vyskočilová, Ph.D.

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Quaternary ammonium salts can serve as catalysts of important reactions, of which the cycloaddition of carbon dioxide to epoxides or alkenes leading to cyclic carbonates plays an important role. Another important reaction that can be catalyzed by ammonium salts is the Knoevenagel condensation of aldehydes with nitriles. This reaction is interesting from the point of view of use in the field of chemical specialties such as fragrances or pharmaceutical intermediates. The disadvantage of ammonium salts is their use in a homogeneous arrangement, and therefore complicated separation from the reaction mixture and the impossibility of repeated use. The aim of the thesis will be the preparation of heterogeneous analogues of quaternary ammonium salts, their detailed characterization and testing as catalysts in selected reactions. The influence of the structural properties of the prepared materials on their catalytic activity and, last but not least, the possibility of repeated use will be monitored.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	Ing. Martina Pitínová, Ph.D.

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2D materials are defined as layered materials with minimum thickness to the physical limit. Graphene is the first example of 2D materials, isolated from natural graphite in 2004 which has been since then extensively investigated in the wide range of potential applications. Beyond graphene, a wide spectrum of 2D materials. Layered 2D materials are characterized by large surface area, uniformly exposed lattice plane, adjustable electronic state, ability of surface defect formation, and possibility of controlled surface functionalization. Because of these unique properties, 2D materials can be utilized in catalysis as the supports for anchoring of catalytic active species/metals. The greatest benefit of using 2D support sis possibility to decrease amount of anchored precious metals necessary for catalysing of the chemical reaction. The aim of the research work will be preparation of heterogenous catalysts utilizing 2D materials that will be active in basic chemical syntheses as hydrogenations of hydroformylations. Experimental work will therefore include preparation of heterogeneous catalyst utilizing 2D materials as the supports for various precious metals, as Pt, Pd, R or Ru. The prepared catalysts will be deeply characterized using available characterization methods (SEM/EDS, TEM, XRD, N2-physisorption, Raman spectroscopy etc.).

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	prof. Ing. Petr Zámostný, Ph.D.

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Interactive mixtures are self-organizing systems of host-guest particles that form as a result of preferential inter-surface interactions. In addition to their well-known use in powder inhalers, they may find applications in other areas of drug delivery, e.g. to increase the dissolution rate of poorly soluble drugs. The aim of this work will be to study the interparticle inter-surface interactions using surface energy measurements, atomic force microscopy, and centrifugation methods, to define the stability conditions of the interactive aggregates based on the properties measured using those methods, and to find methods of designing a stable interactive mixture for a specific drug.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	Ing. Jan Patera, Ph.D.

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Drug stability is one of the fundamental qualitative attributes that must be evaluated in the context of drug research and development. Without sufficient information on the stability of the medicinal product, it is not possible to obtain a marketing authorisation and to place the product on the market. Significant effort is invested at the beginning of development to select the optimal API form for further downstream development steps. Understanding the stability of the selected API formulation is important for appropriate choice of manufacturing processes and quality assurance of the finished products. The scope of the work will be to study both the chemical and physical stability of different APIs in terms of formulation composition and type of mixture preparation or process treatment.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	Ing. Jan Patera, Ph.D.

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Free surface energy is one of the important parameters in industrial applications and processes of powder and fibrous materials. Differences in surface energy affect interfacial interactions such as wetting, cohesion, or adhesion. As the wide range of uses of powders is controlled by surface reactions or interactions, the characterization of surface energies can be important information for improving surface properties (eg surface modification). General theories can only be applied to smooth, molecularly flat solid surfaces or particles. However, most interfaces for particulate matter do not have an ideally smooth surface or an ideally homogenized surface, so the work will focus on determining the heterogeneity of surface properties; heterogeneity of surface energy, and its relation to other properties of these substances.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	Ing. Martin Veselý, Ph.D.

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Layered low-dimensional materials are auspicious for application in all areas of nanotechnology since properties of these materials depend on the degree of exfoliation. Also, catalysis seems to be an exciting application as a superior effect of a two-dimensional (2D) support on the activity of metal nanoparticles due to specific metal-support interactions. This project is focused on preparation and chemical modification of layered materials based on Si, Ge, and SixGe(1-x) mixtures. The aim is to prepare 2D hundreds-of-micron-sized sheets and nanometer-sized quantum dots (QDs) with high optical and chemical uniformity. Functionalization of the prepared uniform low-dimensional materials allows the application of these materials in fundamental research of phenomena typical for heterogeneous catalysis: I) Study of the exclusive effect of 2D support on the enhanced activity of metal nanoparticles and II) Assessment of accessibility and interconnectivity of pores space in conventional catalysts using 0D QDs with varying size as a pore space probe.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	Ing. Tereza Školáková, Ph.D.

Annotation

Pharmaceutical products are sophisticated mixtures of numerous compounds that can be liquids or solids. However, there is still the problem how to select them efficiently without costly and time-consuming tests that are associated with the complexity of the drug development. Surface energy could be used as powerful prediction tool to perform such selections. The aim of this work is to provide a new perspective on the prediction of component compatibility (API and excipient) for formulation design for the production of solid dosage forms based on the surface properties of their components.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	Ing. Martin Veselý, Ph.D.

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Two-dimensional (2D) materials exhibit increased catalytic activity in 2D material-supported metallic nanoparticles compared to their bulk counterparts. The increase in activity attributes to specific 2D support-nanoparticle interactions. The thesis focuses on the nanohybrid (2D support-nanoparticle) preparation by various routes, including both the metal introduction after the exfoliation and simultaneous exfoliation and metal deposition. An inherent part of the thesis is a complex and correlated spectroscopic and microscopic characterization of the prepared nanohybrids. Then the final output will be a relation between the synthetic route, material texture, and catalytic performance in model reactions like selective hydrogenations, oxidations, and C-C coupling.

Granting Departments:	Department of Organic Technology
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	prof. Ing. Petr Zámostný, Ph.D.

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This project will focus on the evaluation of the applicability of the products of primary thermal treatment of organic waste (e.g. waste plastics) and alternative raw materials (biomass) in the steam cracking process. The objective is to study the products and yields of pyrolysis of these raw materials experimentally, to transfer the obtained results to an industrial scale and to compare the economic parameters of such processing with other methods of utilization. The laboratory study will be based on experiments in a micropyrolysis reactor. The transfer of the results to the operational scale will be solved on the basis of comparison with reference results of traditional raw materials using machine learning principles.

Department of Polymers

Granting Departments:	Department of Polymers
Study Programme/Specialization:	Chemistry ( in Czech language )
Supervisor:	Stella De Almeida Gonsales, Ph.D.

Annotation

Environmental pollution as a consequence of the rapid growth in plastic production and single-use plastic consumption is a major and pressing global concern. In this context, polyolefins deserve particular attention. With difficult degradation, these materials present significant challenges to the environment. Among the solutions for the growing amounts of plastic waste are the continuing development of degradable polymers and the development of strategies for chemically recycling such products. The PhD topic will focus on targeting these important issues by designing and synthesizing new catalysts, recycling strategies, and materials with improved properties.

Granting Departments:	Department of Polymers
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	doc. Ing. Zdeněk Hrdlička, Ph.D.

Annotation

Increasing the share of waste rubber recycling is, in accordance with the principles of the circular economy, one of the current topics of the rubber industry. Recycling rubber is not easy, as it is an insoluble and infusible material. A perspective form of recycling appears to be the grinding of rubber waste followed by partial or complete reclaiming or devulcanization of rubber particles. These reactions can be caused by chemical agents, elevated temperature or shearing, or less traditionally, by ultrasound, microwave radiation or microorganisms. The work will study the influence of conditions on the course of devulcanization / reclaiming of rubber, the efficiency of this transformation and its nature, i.e. whether devulcanization (splitting of crosslinks) or regeneration (splitting of crosslinks and main rubber chains) takes place. The properties of rubber compounds and vulcanizates containing the obtained recycled rubber will also be studied.

Granting Departments:	Department of Polymers
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Drahomír Čadek, Ph.D.

Annotation

The dissertation will focus on the processing of sustainable materials (such as starch or PBS) mainly through injection molding. This most widespread processing technique uses a range of common synthetic plastics, while when using sustainable materials, there is often a different material flow (if we also consider natural fillers, the mixture flow is even more complicated) and the injection machine settings need to be adjusted accordingly. The goal of the thesis is the use of "intelligent forms" and advanced assessment of the processability of materials. This is primarily an "online" assessment of viscosity through suitable sensors (pressure, temperature, etc.), which will be able to immediately evaluate the machine settings. Combining this technology with sustainable materials will achieve sustainability throughout the production process.

Granting Departments:	École Nationale Supérieure de Chimie de Lille, France Department of Polymers
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language , Double Degree )
Supervisor:	prof. 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. The work will be done in collaboration with ENSC Lille under co-tutelle supervision with Prof. Phillipe Zinck.

Department of Solid State Chemistry

Granting Departments:	Department of Solid State Chemistry
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
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.

Granting Departments:	Department of Solid State Chemistry
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	doc. Ing. Barbora Doušová, CSc.

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.

Granting Departments:	Department of Solid State Chemistry
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
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.

Granting Departments:	Department of Solid State Chemistry
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	doc. Ing. Barbora Doušová, CSc.

Annotation

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.

Institute of Experimental Medicine AS CR, v.v.i.

Granting Departments:	Department of Informatics and Chemistry Institute of Experimental Medicine AS CR, v.v.i.
Study Programme/Specialization:	Bioinformatics ( in English language )
Supervisor:	RNDr. Pavel Rössner, Ph.D.

Annotation

Environmental pollution represents a global problem affecting health of most of the population worldwide. To effectively protect the organism against negative impacts of environmental pollution detail molecular mechanisms of effects of pollutants need to be revealed. The aim of the thesis is to evaluate the impact of air pollution of whole-genome mRNA expression and epigenetic mechanisms (miRNA expression, DNA methylation) in model human cell systems in vitro. Lung and olfactory mucosa tissue models will be exposed to ambient air in localities with different levels of environmental pollution and mRNA expression profiles and epigenetic changes will be evaluated. The thesis should contribute to formulation of a detailed model describing, at molecular level, the response of the organism to ambient air pollutants.

Institute of Chemical Process Fundamentals of the CAS, v.v.i.

Granting Departments:	Department of Organic Technology Institute of Chemical Process Fundamentals of the CAS, v.v.i.
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	Ing. Pavel Topka, Ph.D.

Annotation

Volatile organic compounds (VOC) are one of the main contributors to air pollution. They are precursors of photochemical smog (ground-level ozone) and very efficient greenhouse gases (up to 11 times more effective compared to CO2). Furthermore, they are detrimental not only to the environment but also to the human health due to their harmful properties (toxic, malodorous, mutagenic and carcinogenic). Therefore, increasingly strict regulations are being put in place worldwide in order to reduce VOC emissions into the atmosphere. VOCs are emitted from thousands of different sources like chemical plants, petroleum refineries, power plants, paint industry, gas stations, dry cleaners etc. In the industry, the old thermal incineration units are retrofitted with the catalytic oxidation technology, which is a green and cost-effective method for the abatement of VOC emissions. The aim of the thesis is the development of new catalysts for VOC oxidation. The activity and selectivity of the prepared catalysts in the oxidation of model VOCs will be correlated with their physicochemical properties in order to identify the factors important for their efficiency. Required education and skills: • master degree in chemical engineering, physical chemistry, organic technology, chemical physics or similar; • willingness to do experimental work and learn new things, team work ability.

Granting Departments:	Department of Organic Technology Institute of Chemical Process Fundamentals of the CAS, v.v.i.
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	Mgr. Luděk Kaluža, Ph.D.

Annotation

Heteroatoms N, O, S, or Cl bound in hydrocarbons represent a barrier in the chemical processing of fossil and renewable feeds, because they are a source of corrosion in chemical equipment, catalytic poisons, harm the environment or deteriorate the energy value of hydrocarbons. These heteroatoms are therefore removed by decomposition reactions to form hydrogenated heteroatoms and pure hydrocarbons. Some decompositions are accompanied by C-C condensation reactions (Guerbet coupling, aldol condensation). The study will cover the synthesis of new heterogeneous catalysts including the evaluation of their activity and selectivity in model reactions performed in laboratory tubular flow microreactors. Gas and liquid chromatography (GC/FID/MSD/SCD, LC/qTOF) creates the chemical-analytical background for the reaction progress kinetic analysis (RPKA). Microstructural characterization of the prepared catalysts will comprise N2/Ar physisorption, inverse chromatography, XRD, XPS, Raman/IR spectroscopy or SEM/HR-TEM microscopy.Required education and skills • Master degree in chemistry, chemical technology, chemical engineering; • experience with varied experimental work in a chemical laboratory; • ability to work as part of a team.

Granting Departments:	Department of Organic Chemistry Institute of Chemical Process Fundamentals of the CAS, v.v.i.
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	Dr. Ing. Vladimír Církva

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Proposal is based on the connection of two scientific disciplines: traditional photochemistry and recently developed microwave chemistry, when the effect of UV/Vis and microwave radiation on the chemical and physical properties of molecules is studied. The required radiation is generated completely atypically directly by the microwave field using so-called electrodeless discharge lamps (EDLs). The aim of the project is basic research in the preparation of EDLs (mercury, sulfur, other metal) and optimization of the effect of microwave and UV/vis radiation on the photocyclization of stilbene derivatives, which can lead to polyaromatics. Required education and skills: • master degree in organic technology or organic chemistry, • experimental skill and practical knowledge of reaction optimization, • team work ability, • employment contract at ICPF.

Granting Departments:	Department of Organic Chemistry Institute of Chemical Process Fundamentals of the CAS, v.v.i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Dr. Ing. Vladimír Církva

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Proposal is based on the connection of two scientific disciplines: traditional photochemistry and recently developed microwave chemistry, when the effect of UV/Vis and microwave radiation on the chemical and physical properties of molecules is studied. The required radiation is generated completely atypically directly by the microwave field using so-called electrodeless discharge lamps. The aim of the project is basic research and optimization into the influence of microwave radiation on the course of cis-trans photoisomerization and photocyclization of stilbene and o-terphenyl derivatives, leading to phenanthrene, triphenylene, phenacene, helicene analogues or their N- and S-hetero derivatives, which may find application in molecular electronics. Required education and skills: • master degree in organic technology, • experimental skill and practical knowledge of reaction optimization, • team work ability.

Granting Departments:	Department of Organic Chemistry Institute of Chemical Process Fundamentals of the CAS, v.v.i.
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	Ing. Tomáš Strašák, Ph.D.

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The project is focused on the application of modular synthesis principles to a preparation of novel dendritic materials with properties tailored for medicinal applications, especially in the field of regenerative medicine. The first stage comprises the synthesis of a library of carbosilane building blocks (dendrons) using silicon atom as a branching point and bearing suitable peripheral functional groups (saccharide ligands, cationic groups, PEGyl chains etc.). These components will then be used for the construction of multifunctional macromolecular compounds with precisely defined dendritic structure. The application of prepared materials to the encapsulation of small molecule drugs, complexation of therapeutically active proteins and growth factors, and physically-chemical characterization of these systems will be an inherent part of the work, with emphasis on suitable pharmacokinetic and cytotoxic behavior. The work is a part of the research project supported from OP JAK fund; within this project the student will closely collaborate with external partners on the application of the prepared materials. Required education and skills • Master degree in organic chemistry, organic technology; • enthusiasm for experimental work and learning of new things; • team work ability.

Granting Departments:	Department of Organic Chemistry Institute of Chemical Process Fundamentals of the CAS, v.v.i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Jan Storch, Ph.D.

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The transition to a low-carbon economy requires renewable energy sources and increased energy storage capacity in stationary applications. Lithium-ion batteries, despite their recent advancements, are constrained by short-term storage capacity and energy loss over multiple cycles, diminishing their lifespan. They also present safety and reliability concerns. Organic radical flow batteries (ORFBs), using organic redox-active molecules instead of traditional metal compounds, offer an alternative. This project aims to develop phosphorus heterocycles for ORFBs, ensuring stability over a broad temperature range, and providing high energy density and cyclability. The goal is to surpass the limitations of existing quinone and phenazine-based electrolytes, matching the performance of commercially used vanadium-based ORFBs. Required education: • Master's degree in Organic/Inorganic Chemistry or Organic Technology and related fields.

Granting Departments:	Department of Organic Technology Institute of Chemical Process Fundamentals of the CAS, v.v.i.
Study Programme/Specialization:	Chemistry and Chemical Technologies ( in English language )
Supervisor:	Ing. Karel Soukup, Ph.D.

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The main aim of the proposed project is focused on assessment of the specific properties of the novel polymeric nanofibrous materials prepared by electrospinning in applications as effective catalyst supports. 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 catalyst precursors and assessment of the effect of support microstructure on the phenomenological kinetics of model reactions. Studied model reactions will involve both reaction in gas-phase (total oxidation of volatile organic compounds) and liquid-phase (selective hydrogenation of unsaturated carbonyl compounds). Additionally, it will be investigated the possible influence of differences between polymer surface nature of nanofibers and conventional polymeric catalyst supports on catalytic properties. Required education and skills: • Master degree in chemical technologies, chemical engineering or chemistry of materials; • methodical and creative approach to work; • willingness to perform experimental work and learn new issues.

Granting Departments:	Department of Organic Chemistry Institute of Chemical Process Fundamentals of the CAS, v.v.i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Jan Storch, Ph.D.

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π-Conjugated organophosphorus systems have become the subject of intensive research in recent years, primarily due to their applications in materials chemistry. The presence of the phosphorus atom in these molecules facilitates further derivatization, effectively altering some key characteristics of the target molecules and their intended applications. A special place in this class of substances is occupied by six-membered phosphacycles. Although considerable progress has been made recently in synthesizing these substances, polyaromatic compounds incorporating a phosphinine ring remain rare. This study will investigate synthetic routes for introducing the phosphinine core into nanographene structures. The properties of these novel compounds will also be extensively studied. Required education: • Master's degree in Organic/Inorganic Chemistry or Organic Technology and related fields.

Granting Departments:	Department of Organic Chemistry Institute of Chemical Process Fundamentals of the CAS, v.v.i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Mgr. Jindřich Karban, Ph.D.

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Galectins are a class of lectins (carbohydrate-binding proteins other than enzymes and antibodies) characterized by affinity to some galactosides and sequence homology. Non-covalent interactions of galectins with oligosaccharides are involved in many fundamental biological events. Inhibition of these interactions by synthetic analogs of saccharides (glycomimetics) is of principal significance in their study as well as in drug development. The main goal of this PhD project is the synthesis and evaluation of hybrid glycomimetic galectin inhibitors based on the combination of carbohydrate and organometallic structural motifs. Installation of an organometallic moiety into the structure of a glycomimetic inhibitor can not only result in higher affinity or selectivity of inhibition, but also enable to study the interactions with galectins by means of electrochemical methods. Required education and skills • Master degree in chemistry. • The willingness to acquire and apply advanced methods of organic synthesis.

Granting Departments:	Department of Organic Chemistry Institute of Chemical Process Fundamentals of the CAS, v.v.i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Mgr. Jindřich Karban, Ph.D.

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Galectins are a class of lectins (carbohydrate-binding proteins other than enzymes and antibodies) characterized by affinity to galactosides and sequence homology. The so-called tandem galectins comprise two related but non-identical carbohydrate-binding domains (CRD) with a partially different substrate specificity. The inhibition of tandem galectins by synthetic analogs of saccharides (glycomimetics) is of principal significance in fundamental research as well as in drug development. Attachment of monovalent domain-specific inhibitors to suitable carriers will give rise to multivalent inhibitors that can inhibit both domains within the tandem galectin simultaneously and very effectively if the right topology is achieved. The main goal of this PhD project is the synthesis and evaluation of glycomimetic inhibitors of individual domains and verification of the hypothesis that an appropriate spatial arrangement of domain-specific inhibitors on a multivalent carrier can lead to high affinity inhibitors of tandem galectins due to a multivalent effect. Required education and skills • Master degree in chemistry. • The willingness to learn and apply advanced methods of organic synthesis.

Institute of Inorganic Chemistry of the CAS, v. v. i.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Dr. Michael G. S. Londesborough

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The aneutronic fusion of a proton and a 11B nucleus to give three 4He nuclei is the most efficient and ecologically safest energy source, millions of times more yielding than, say, the combustion of coal, and without any of the problems of radioactivity that nuclear fission brings. To achieve p-B fusion, enormous compressions of 10^5 times the density of solid materials are required. Advances in laser technology lead the way in creating such conditions, in which light generates powerful pressure waves through B and H containing plasma. Here, a better understanding of the ideal fuel and the characteristics of the target is needed. This project, supported by an EU Pathfinder grant, proposes the boranes as a fuel for aneutronic fusion. Boranes are comprised solely of atoms of B and H in ratios of approx.1:1 located in immediate proximity to each other –eliminating the need for any primary target, and boding well for confinement. We intend to use the versatility of borane chemistry to make a wide portfolio of fuel candidates, study their behaviour at the conditions of confinement, and demonstrate their utility in p-B fusion

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Ing. Jiří Henych, Ph.D.

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The work focuses on the preparation of nanostructured cerium oxides by various "wet chemical" methods and their use in environmental and bio-applications. The exceptional surface redox properties of CeO2 nanostructures enable the reactive adsorption/catalytic decomposition of dangerous pollutants (such as pesticides or pharmaceuticals in water), but also, chemical warfare agents. In addition, CeO2 nanoparticles show unusual pseudo-enzymatic properties and can thus mimic enzymes in living organisms, which could lead to the development of artificial enzymes, so-called nanozymes.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Mgr. Tomáš Baše, Ph.D.

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Atomically precise metal clusters represent a developing area with materials properties of which are effected by their size and can be regarded as transient from an atomic level to bulk. Recently, we have reported the first few examples of hybrid metal and car(borane) clusters and demonstrated their exceptional thermal stability. This PhD theme will focus on new stable hybrid metal (car)borane cluster species of different nuclearity as well as on the synthesis of suitable (car)borane clusters terminated with different functional groups to open up the hybrid clusters to new chemistries. This topic covers numerous challenges that are of synthetic, analytical, or computational origin, and all of them relate to the huge size of the new hybrid clusters consisting of hundreds or thousands of atoms. This project is a part of multidiciplinary international cooperation.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Kaplan Kirakci, Ph.Dr.

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Molybdenum clusters of nanometer dimensions are aggregates of six Mo atoms with ligands. The work includes their synthesis, study of stability, luminescence and biological effects. Upon activation by visible light, the clusters produce singlet oxygen, which is a highly reactive and cytotoxic species. We recently found that clusters can also be excited by X-rays. We have already obtained promising results in the field of X-ray-induced photodynamic therapy. Thus, Mo clusters represent effective compounds for the development of drugs for increasing the effectiveness of cancer radiotherapy, for photodynamic therapy or photoinactivation of bacteria.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	RNDr. Bohumír Grüner, CSc.

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The scope of proposed PhD work involves study of thin films of multiferoic hexagonal ferrites with magnetoelectric properties synthetised by soft chemistry routes, and their complex chemical, microstructural, structural and physical characterization. The PhD study will be focused to the U, Y- and Z-type hexaferrites studied in the form of ceramics and thin films (https://www.annualreviews.org/doi/abs/10.1146/annurev-conmatphys-020911-125101). In particular, thin films will be prepared by means of chemical solution deposition methods using spin- or dip-coating deposition technique and their real (micro) structure (x-ray and neutron diffraction, electron microscopy) in relation to their functional properties will be studied. 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).

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Mgr. Matouš Kloda, Ph.D.

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Metal-organic frameworks (MOFs) are porous crystalline materials based on the combination of metal centers or clusters and organic ligands with two or more coordinating groups. Wide scale of available metals and linker molecules allows for tuning the chemical and physical properties of MOFs and adjusting them for a particular application. Phosphinate coordinating group (POOH) forms stable bonds with metal centers while creating predictable coordination motifs, thus providing advantages over more traditionally used carboxylate and phosphonate groups. The aim of the thesis will be the preparation and characterisation of novel MOFs based on phosphinate linkers, with a focus on preparation of crystals suitable for structure determination by X-ray diffraction. The stability of MOFs will also be tested, as well as their potential applications such as pollutant sorption or electron and proton conductivity. The student will learn synthetic techniques for the preparation of linker molecules and MOFs as well as characterisation methods (NMR, powder and single crystal XRD, gas sorption, thermal analysis...) and probing their applications. The work will take place at the Institute of Inorganic Chemistry of the Czech Academy of Sciences in Řež.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Mgr. Jan Hynek, Ph.D.

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The constantly increasing world consumption of energy and the connected environmental problems require the development of new ecological energy sources, which includes a wider utilization of fuel cells and batteries. Proton-exchange membranes are an important part of the devices that separates the space of electrode half-cell reactions. Up to now, proton-exchange membranes are made of mainly conductive polymers which have several drawbacks; high manufacturing price, permeability for some fuels or amorphous character, which does not allow deeper understanding of the transport mechanism. Metal-organic frameworks (MOFs) are crystalline porous coordination polymers consisting of metallic nodes connected to each other by di- or multidentate organic ligands. The regular structure containing pores and the possibility of tuning their size, physical and chemical properties make these materials suitable for proton transport within the membranes in hydrogen fuel cells. The work is focused on the preparation of zirconium MOFs containing tetrakis(4-carboxyphenyl)porphyrin and its derivatives with an effort to maximize their proton conductivity. The prepared materials will be derived from the already known structures of PCN-222 and MOF-525, which are characteristic with a specific surface area of 2200 – 2600 m2/g, mesoporous character and, compared to other MOFs, exceptional chemical stability. Proton donating (phosphonates, phosphinates, sulfonates) or accepting (amines) functional will be introduced into the structures using the substitution of the porphyrin ligand and post-synthetic modification methods. The effect of these modifications on the proton conductivity of the resulting materials will be studied.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	RNDr. Jan Demel, Ph.D.

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Activated borane is a new type of porous polymer that was first prepared at the Institute of Inorganic Chemistry in Řež. Activated borane is formed by thermal co-thermolysis of borane clusters with organic molecules. Initial analysis shows that the polymer is probably composed of borane clusters connected by organic linkers coming from the organic molecules. Initial studies demonstrated that activated borane is a perspective material for sorption of water pollutants and as catalyst for Lewis-acid catalyzed reactions. The aim of the dissertation work will be the preparation of novel porous structures, characterization and the study of its applications, mainly as catalysts in Lewis acid-based reactions. During the course, the applicant will master systematic workflow in the laboratory, analysis of wide range of characterization methods (powder XRD, adsorption of nitrogen, FTIR, NMR, etc.) and performing application studies for testing sorption and catalytic degradation of pollutants. The work will be done at the Institute of Inorganic Chemistry in Řež

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	RNDr. Karel Škoch, Ph.D.

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Catalysis with transition metal complexes represents well established approach to perform chemical transformations both efficiently and economically. Even though remarkable progress was achieved in this field, there are some disadvantages are associated with transition metal complexes such as high price, toxicity and environmental and strategic issues. Therefore, there is a steady demand for finding a new and alternate approaches towards catalysis using abundant main group elements. Boranylium salts represents a group of positively charged trivalent boron compounds. Their electrophilicity is enhanced by positive charge located at the boron, they are extraordinary strong Lewis acids. Advantageous is their synthetic availability and high reactivity, which makes them attractive for discovering new synthetic avenues, reagents and catalysts. The aim of the work will be preparation of boranylium salts stabilized by carbenes (and other donors), explore relations between their structure and reactivity mainly in regard of utilization as photophysical sensors or catalysts for C-H bond activation or CO2 fixation. Applicant will adopt advanced synthetic techniques on the borderline between organic and inorganic synthesis including Schlenk techniques and glovebox.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	RNDr. Bohumír Grüner, CSc.

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This topics deals with synthesis of asymmetric boron clusters, separation of enantiomers, and study of their interactions with chiral organic platforms. Although the axial chirality resembles that of some chiral organic platforms like BONOL or ansa- substituted metallocenes, the chemistry remains grossly unerexpored and offers broad possibilities.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Ing. Josef Buršík, CSc.

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The scope of proposed PhD work involves study of thin films of multiferoic hexagonal ferrites with magnetoelectric properties synthetised by soft chemistry routes, and their complex chemical, microstructural, structural and physical characterization. The PhD study will be focused to the U, Y- and Z-type hexaferrites studied in the form of ceramics and thin films (https://www.annualreviews.org/doi/abs/10.1146/annurev-conmatphys-020911-125101). In particular, thin films will be prepared by means of chemical solution deposition methods using spin- or dip-coating deposition technique and their real (micro) structure (x-ray and neutron diffraction, electron microscopy) in relation to their functional properties will be studied. 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).

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
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.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Ing. Petra Ecorchard, Ph.D.

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2D and layered materials (e.g. layered double hydroxides or alkoxides) will be prepared as self-supporting catalysts. These materials will be modified by ionic liquids (e.g. imidazolium type), containing metal. These ionic liquids will be immobilised on a surface of 2D or layered materials and all systems will be studied for heterogeneous catalysis (mainly ring opening catalysis).

Institute of Macromolecular Chemistry CAS

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Hynek Beneš, Ph.D.

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Polyurethanes (PU)s are the fifth most demanded synthetic polymers in Europe, mainly due to their high versatility enabling production of flexible, semi-rigid and rigid foams, elastomers, sealants and coatings. Besides chemical recycling of PUs, their biological (enzymatic) degradation is considered as a promising approach. The willingness to biodegrade primarily depends on the chemical composition and structure of PU materials. The versatility of PU chemistry makes possible to prepare PU materials which, in accordance with the current trend, are designed with degradation-on-demand features. This approach can also be applied for NIPU materials (non-isocyanate PUs), which are currently highly investigated due to their environmental-friendly preparation avoid the use of toxic isocyanates. In addition, the NIPU structure can be easily adapted for accelerated biodegradation, e.g. by introduction of more polar (typically hydroxyl) groups. Another eco-friendly feature of NIPUs is their design as entirely bio-based materials. The aim of this work is to prepare novel NIPU materials with different chemical composition and supramolecular structure and to study their biodegradation with the aim of understanding the relationship between the rate of biodegradation and the NIPU structure.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Hynek Beneš, Ph.D.

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The increasing production of greenhouse gas carbon dioxide (CO2) and it is generally considered as the biggest waste contributed to climate change. The aim of this work is to investigate the possibilities of converting CO2 into polymer materials. The first route will be the CO2-oxirane (epoxy) coupling reaction, which leads to production of various cyclic carbonates, which are monomers for innovative polymer materials, e.g. non-isocyanate polyurethanes and epoxides. The second approach will be the direct CO2 transformation into polycarbonates. The third way will involve the ring-opening copolymerization of epoxide with CO2 leading to linear carbonate-ether copolymers. Bio-based monomers will be used to obtain fully renewable polymer materials. The important part of this PhD topic will be finding a suitable catalytic system for each synthetic path. Our preliminary experiments showed the successful CO2-epoxy cycloaddition in the presence imidazolium and metal-based ionic liquids (ILs). Due to ILs’ countless possible anion/cation combinations, they seem to be suitable candidates to catalyze the cycloaddition reaction of epoxide and CO2. As part of the doctoral project, a student's several-month internship at foreign collaborating workplace (INSA Lyon, France) is assumed.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Zdeněk Starý, Ph.D.

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Polymer composites are materials with a high application potential in advanced technologies. The topic concerns with a control of polymer-filler interface by surface modification of filler particles and its effect on rheological properties of composites with a particular attention to their elasticity in the molten state. Although the effects induced by the presence of filler particles on melt elasticity are reported in literature, understanding of their origins and mechanisms is still lacking. Systematic study of the influence of particle size, concentration and surface modification on melts elasticity in linear and non-linear viscoelastic range will be performed. Moreover, processing properties of the composites including flow instabilities analysis will be studied. The composites will be studied experimentally by different rheological techniques (oscillatory shear, capillary rheometry). Structure of the composites will be visualized by electron microscopy.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
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.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	RNDr. Petr Chytil, Ph.D.

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Treatment of stroke, which is one of the deadliest disorders, has improved tremendously in recent years. Pharmacological treatment, i.e., intravenous thrombolysis, will still remain a keystone of acute stroke treatment. Unfortunately, there is still a limited amount of suitable and effective thrombolytics; thus, there is a potential for improvement, especially in using polymer carriers. Polymer carriers are non-toxic, non-immunogenic, and biocompatible polymer materials enabling targeting and controlled release of biologically active compounds in the treated tissue and thus minimizing side-effects of carried active compounds. The doctoral project theme will consist of synthesizing and studying the properties of tailor-made polymer carriers of thrombolytics. The topic is suitable for graduates of chemistry, eventually pharmacy. The student will learn new skills in the synthesis and methods of characterization and can participate in biological characterization. We offer exciting and varied work in a well-established team of Biomedical polymers, affording hi-tech equipment and material background.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	Ing. Michal Babič, Ph.D.

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The project is focused on the preparation of novel polymer particles in colloidal form for therapeutic and diagnostic purposes via intranasal administration. The particles will be prepared by heterogeneous polymerisation techniques (dispersion or precipitation) and the main polymerisation reaction will be based on an aromatic substitution mechanism. Bioanalogic aromatic substances will be used as monomers. The effect of reaction conditions on the morphology and composition of particles and other physicochemical parameters determining the behaviour of particles in biological systems will be studied. Subsequently, the particles will be derivatized for their detection using preclinical imaging methods so that their biodistribution and pharmacokinetics can be monitored after intranasal administration. Biological testing of the particles will be performed at the collaborating departments of the UEM CAS and the 1st Faculty of Medicine of the Charles University. The aim of this collaboration is to describe how the composition and morphology of the particles from the new polymer types affects the mechanism of each type of intranasal delivery. The researcher will be based in the laboratories of the Institute of Macromolecular Chemistry at the BIOCEV Biotechnology Centre.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Zdeněk Starý, Ph.D.

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Nowadays new applications and processing technologies place new and bigger demands on polymeric materials. Materials for 3D printing or electrically conductive polymer composites can serve as typical examples. In most cases these systems have a heterogeneous phase structure, which influences the end-use properties of the final material to a large extent. The aim of the work is to develop novel high-performance polymer materials and composites for 3D printing technologies and discover the relationships between structure and properties of materials relevant for practical applications. Work activities include a synthesis of novel multifunctional nanomaterials, preparation of polymeric materials and chemical and structural investigations by means of different advanced characterization techniques. Furthermore, mechanical and flow behaviour of prepared materials will be studied in detail.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	RNDr. Jan Kučka, Ph.D.

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This doctoral thesis focuses on the development and optimization of labeling techniques for polymers and nanoparticles in the field of medicine. The labeling allows for tracking and provides valuable information for therapy and next biological testing.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	doc. 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.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Hynek Beneš, Ph.D.

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Itaconic acid is renewable unsaturated dicarboxylic acid and one of the most important biomass-derived compounds that can be transformed into a wide range of valuable chemicals and polymer materials. The aim of this PhD topic is preparation and characterization of poly(itaconic acid) materials and nanocomposites containing 2D layered nanoparticles. The prepared materials will be dynamically crosslinked via reversible covalent linkages and non-covalent interactions (H-bonding, metal-ligand coordination, host–guest complexation or electrostatic/ionic interactions, thereby introducing self-healing and recyclable properties into the materials. As part of the doctoral project, a student's several-month internship at foreign collaborating workplace (Cracow University of Technology, Poland) is expected. The candidates should have good communication skills in English (both in speaking and writing), should be able to work both in a team and independently. Active participation on foreign internships, trainings and scientific conferences is expected.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Dr. Ing. Miroslava Dušková

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The principle of stereolithographic 3D printing is the curing of reactive molecules: various oligomers and polymers by mutual reaction of their chemical groups, usually by the mechanism of photopolymerization. The project aim is to use stereolithographic printing in the preparation of biocompatible hydrogels, which e.g. provide excellent media for cell cultivation or are developed as materials for diagnostics, drug carriers and implantation. In these applications, a well-defined 3D gel structure and architecture of pores must be achieved: the goal is to produce a body consisting of interconnected gel domains interwoven with communication channels while maintaining mechanical strength and integrity (bicontinuous structure). The candidate will develop the advanced method of printing of gel objects, which includes a deeper study of the mechanism of gel formation and polymer network formation during the printing process, the development of new reactive mixtures suitable for printing including monomers from natural sources, and the use of the knowledge gained to extend stereolithographic 3D printing to the precision fabrication of hydrogels for biomedical applications. The study will comprise development of novel printing compounds providing biocompatible hydrogels, eventually to be used to produce macroporous hydrogel substrates. The candidate's knowledge of materials chemistry, macromolecular or organic chemistry is a prerequisite. Knowledge of printable shape design software is an advantage.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	doc. 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.

Granting Departments:	Department of Polymers Institute of Macromolecular Chemistry CAS
Study Programme/Specialization:	Drugs and Biomaterials ( in English language )
Supervisor:	doc. Mgr. Martin Hrubý, Ph.D., DSc.

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Treatment of hypoxic tumors is complicated due to higher radio/chemo resistance resulting in the subsequently lower clinical outcome of the treatment. We propose to explore a new concept of self-assembled polymer radiosensitizers to overcome the problem low hypoxic tumor radiosensitivity. The proposed approach is based on restoration of radiosensitivity of hypoxic cancer tissue by actively hypoxia-targeted delivery of reactive oxygen species (ROS)-precursors as well as on selective decomposition of hydrogen peroxide in hypoxic tissue influencing the HIF-1 alpha system. The proposed concept utilizes hydrophilic biocompatible polymer-based carriers with hypoxia-targeting nitroaromatics systems. The doctoral thesis will be based on synthesis, chemical and/or physicochemical characterization and study of self-assembly properties of such multi-stimuli-responsive nanoparticles with external environment; 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.

Institute of Molecular Genetics of the CAS, v. v. i.

Granting Departments:	Department of Informatics and Chemistry Institute of Molecular Genetics of the CAS, v. v. i.
Study Programme/Specialization:	Bioinformatics ( in English language )
Supervisor:	RNDr. Edvard Ehler, Ph.D.

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The development of ancient DNA (aDNA) technologies in recent years gave rise of vast number of human genomic samples, especially from the prehistorical Europe. Most of the known samples are coming from the first four millennia before CE, a periods described as Neolithic, Bronze Age and Iron Age epochs based on associated archaeological findings. These populations are described primarily using their cultural features (archaeological findings, e.g., pottery, burials, food production, technology). The biological relationship between different populations living at that time are only beginning to be unfolded. The applicant will assist in bioinformatic processing of aDNA genomic samples (within an awarded CZ-PL Weave international grant project), focusing on populations from Bronze and Iron Age period from central Europe. The obtained genomic data will be utilized in the main goal of the proposed PhD project – to test different methods of detection of the population substructure and similarities, and identification of population admixture or isolation events. The applicant will be encouraged to test various population genetics methods, as well as modern dimensionality reduction and machine-learning techniques and approaches to describe and comprehend the genomic data on population level. This should allow us to better recognize the genetic background of the target populations, estimate the gene flow between them and thus the regional variability, and help us ascertain their social structure, marriage patterns and identify possible migrations.

Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.

Granting Departments:	Department of Organic Chemistry Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Dr. Paulo Paioti

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Atropisomers are conformational isomers arising from restricted rotation around a single bond. Our main goal is inducing conformational restriction to create pharmaceutical leads by developing catalytic stereoselective synthesis toward difficult-to-access drug-like atropisomers. Atropisomers are chiral, giving rise to two or more isomers that have different pharmacological properties. These attributes relate to a poorly understood fundamental question of how conformational changes, from achiral and flexible to chiral and more rigid impact a molecule’s ability to interact with biological receptors. But to study such concepts, one must first of all create and then synthesize this challenging class of compounds. The main challenge is that atropisomers are intrinsically sterically hindered and potentially configurationally unstable. Accordingly, we will develop new catalytic synthesis methods and strategies, hoping to deliver more efficient, practical and (atropo)selective methods.

Granting Departments:	Department of Organic Chemistry Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.
Study Programme/Specialization:	Bioinformatics ( in English language )
Supervisor:	Mgr. 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. The successful candidate for this position will be developing machine learning models for the prediction of enzymatic activities of enzymes in specialized biosynthetic pathways.

Granting Departments:	Department of Organic Chemistry Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Mgr. Radim Nencka, Ph.D.

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The thesis will focus on the research of new inhibitors of methyltransferases. These enzymes play an important role in the pathogenesis of many diseases and are essential for the life cycle of many infectious pathogens. In this thesis, the student will investigate the rational design and synthesis of novel methyltransferase inhibitors that use S-adenosylmethionine (SAM) as the methyl group donor. Both SAM derivatives and compounds obtained by screening will be studied. The student will use computational methods to design and optimize new derivatives.

Granting Departments:	Department of Organic Chemistry Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	prof. Ing. Michal Hocek, DSc.

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We will design and synthesize modified nucleoside triphosphates bearing diverse functional groups for enzymatic synthesis of modified oligonucleotides which will be applied in selection and construction of new functional nucleic acids, e.g. aptamers or aptazymes and for the construction of fluorescent or redox probes for applications in chemical biology. References: 1. Hocek, M.: "Enzymatic Synthesis of Base-Functionalized Nucleic Acids for Sensing, Cross-linking, and Modulation of Protein–DNA Binding and Transcription" Acc. Chem. Res. 2019, 52, 1730-1737. 2. Micura, R.; Höbartner, C. Fundamental studies of functional nucleic acids: aptamers, riboswitches, ribozymes and DNAzymes. Chem. Soc. Rev. 2020, 49, 7331–7353.

Granting Departments:	Department of Organic Chemistry Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Mgr. Jiří Kaleta, Ph.D.

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The multiphotochromic systems are made by interconnection of two or more photoswitches (molecules, whose geometry can be reversibly switched using light). Individual parts (photoswitches and unidirectional molecular motors) of these molecules will be selectively activated/switched by action of a light of defined wavelength. The goal of this Ph.D. project is design, synthesis and study of these unique molecules and their possible utilization for construction of first prototypes of molecular machines of this kind. Special attention will be dedicated to various combinations of individual photoswithes as well as the type of their mutual interconnection (orthogonal vs. non-orthogonal).

Granting Departments:	Department of Organic Chemistry Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	prof. Ing. Michal Hocek, DSc.

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We will design and synthesize new modified nucleosides and nucleotides as potential cytostatic agents with new mechanisms of action which includes modulation of receptors or activation of cytostatic proteins. Selected active compounds will be further optimized in order to identify preclinical drug candidates. References: 1. Jordheim, L. P.; Durantel, D.; Zoulim, F.; Dumontet, C. Advances in the development of nucleoside and nucleotide analogues for cancer and viral diseases. Nat. Rev. Drug Discov. 2013, 12, 447–464. 2. Perlíková, P.; Hocek, M. Pyrrolo[2,3-d]pyrimidine (7-deazapurine) as a privileged scaffold in design of antitumor and antiviral nucleosides. Med. Res. Rev. 2017, 37, 1429–1460.

Granting Departments:	Department of Organic Chemistry Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Zlatko Janeba, Ph.D.

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The project aims to design and synthesize novel inhibitors of nucleotide salvage pathway enzymes (phosphoribosyltransferase, phosphorylases) and evaluate their biological properties (in collaboration with biochemistry groups). Such inhibitors have the potential to treat various types of cancer.

Granting Departments:	Department of Organic Chemistry Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	RNDr. Tomáš Slanina, Ph.D.

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Stable radical cations and anions are unique molecules that have found numerous applications in photovoltaics, organic electronics, batteries, and catalysis. While electrochemical and redox preparation of radical ions has been studied in detail, little is known about their photochemistry. The candidate will synthesize radical ions based on triarylamines, hexaarylethanes, perylene diimides, quinones, and other motives, and will study their photochemical stability and reactivity in perspective of the application in photoredox and hydrogen atom transfer catalysis. The candidate will use steady state and time-resolved spectroscopy of stable radical ions to elucidate the mechanisms of photochemical redox reactions.

Granting Departments:	Department of Organic Chemistry Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Ing. Milan Vrábel, Ph.D.

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Our group recently described the development and first applications of N1-alkyl-1,2,4-triazinium salts in bioorthogonal reactions (Angew. Chem. Int. Ed., 2023, e202306828). In this project, we want to explore the chemistry of these charged heterodienes in more detail. In addition, we want to apply the developed reagents in applications ranging from selective modification of biomolecules to cellular applications (e.g. bioimaging). The project combines synthetic organic chemistry, reaction kinetics and stability studies with biological experiments that will be performed mainly in collaboration with biologists in the group.

Granting Departments:	Department of Organic Chemistry Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	prof. Ing. Michal Hocek, DSc.

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We will design and synthesize modified ribonucleoside triphosphates bearing diverse functional groups at nucleobase. These nucleotides will be used for sequence-specific enzymatic synthesis of oligoribonucleotides (RNA) bearing labels or modifications at specific positions using engineered DNA polymerases. The applications will include tRNA, mRNA, sgRNA etc. References: 1. Micura, R.; Höbartner, C. Fundamental studies of functional nucleic acids: aptamers, riboswitches, ribozymes and DNAzymes. Chem. Soc. Rev. 2020, 49, 7331–7353. 2. Milisavljevic, N.; Perlíková, P.; Pohl, R.; Hocek, M. Enzymatic synthesis of base-modified RNA by T7 RNA polymerase. A systematic study and comparison of 5-substituted pyrimidine and 7-substituted 7-deazapurine nucleoside triphosphates as substrates. Org. Biomol. Chem. 2018, 16, 5800-5807.

Granting Departments:	Department of Organic Chemistry Institute of Organic Chemistry and Biochemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Dr. habil. Ullrich Jahn

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With the project, synthetic approaches to complex indoloterpene and their analogs displaying wide-ranging biological activity will be developed.

Laboratory of Inorganic Materials

Granting Departments:	Laboratory of Inorganic Materials
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Ing. Richard Pokorný, Ph.D.

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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.

Granting Departments:	Laboratory of Inorganic Materials
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	doc. Ing. Jaroslav Kloužek, CSc.

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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.