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.

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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.

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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:	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 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.

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

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

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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.

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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.

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.

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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.

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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 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.