GRADUATE PROJECT IN  PHYSICAL CHEMISTRY

COSMO-RS modelling of the interaction between terpenes and water aerosol

Supervisor: Ing. Magdalena Bendová, Ph.D.

Department of Aerosols Chemistry and Physics
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Terpenes are a group of chemical compounds that occur naturally in the atmosphere as a result of their release from foliage. The general aim of the present project is to understand the role of terpenes in the formation of the Secondary Organic Aerosol (SOA) in terms of the interaction of terpenes with water aerosol. In particular, the present thesis will address modelling of this interaction by means of the COSMO-RS methodology by means of predicting the air-water partitioning coefficients and sorption of terpenes on the surface of the water aerosol droplets.

Required education and skills

• Master degree in physical chemistry, physics, or organic chemistry;
• basic knowledge of the COSMO-RS model, programming skills and experience with Linux are an advantage;
• systematic and creative approach to work;
• team work ability.

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GRADUATE PROJECT IN  ORGANIC CHEMISTRY / ORGANIC TECHNOLOGY

Microwave photochemistry and preparation of polyaromatics

Supervisor: Dr. Ing. Vladimír Církva

Department of Advanced Materials and Organic Synthesis
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The project is coupling of two scientific branches: traditional photochemistry and neoteric microwave chemistry, when the effect of UV/Vis and microwave radiation on the chemical and physical properties of molecules is studied. UV radiation is generated quite extraordinary directly by microwave field using the electrodeless discharge lamps.

The aim of the project is a basic research of effect of microwave radiation on the course of cis-trans photoisomerization and photocyclization of stilbenes and o-terphenyls leading to phenanthrene, triphenylene, phenacene, and helicene derivatives, or to their N- and S-hetero analogues, which can be applied in molecular electronics.

The candidates should have a M.Sc. or equivalent degree (or thesis submitted) in organic chemistry or organic technology (or related field), a penchant for experimental work in organic synthesis.

References:

1. Církva V.: Microwaves in Photochemistry and Photocatalysis. In: Microwaves in Organic Synthesis, 3^rd Edition, kap. 14. (de la Hoz, A. and Loupy, A., Eds.), pp 563- 605, Wiley-VCH, Weinheim 2012.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Synthesis of nanostructured cobalt silicides CoSix, germanides CoGex and mixed silicides/germanides CoSixGey

Supervisor: RNDr. Vladislav Dřínek, CSc.

Department of Laser Chemistry
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Binary and ternary silicon based alloys incl. germanium and a chosen metal may possess almost unlimited properties in electronics or catalytic efficiency in a specific chemical reaction. In our case, the metal will be represented by cobalt which has very few precursors for a standard CVD so that the pulsed laser deposition is a logical choice and will serve for deposition of alloys. Aim of the work is the synthesis of nanostructured samples (nanowires, nanoplatelets…). It is expected that other changes of physical properties will occur which is determined by their atomic scale size.

Several analytical methods available in our institute will be used for sample evaluation as Raman, infrared, UV/Vis and photoelectron spectroscopies and scanning electron microscopy furnished with elemental EDX analyzator. The doctorand is assumed to operate the instruments.

Required education and skills

• Master degree in physical, analytical and materials chemistry, chemical physics, and other physical and chemical branches,;
• willingness for experimental work and to learn new things;
• team work ability.

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GRADUATE PROJECT IN ENVIROMENTAL CHEMISTRY AND TECHNOLOGY

Elimination of drugs and endocrine disruptors from water by M-O process

Supervisors: RNDr. Jana Gaálová, Ph.D.¹
Ing. Gwendoline Lafaye, Ph.D.²

¹Department of Membrane Separation Processes, ICPF CAS, v. v. i., CZ-165 02 Prague 6
²Université de Poitiers, 9 rue Charles-Claude Chenou 86073 Poitiers, France

Pharmaceutical drugs and endocrine disrupting chemicals present current alarming environmental issues as water pollutants. They can cause adverse health effects to animals and human, subsequent to endocrine function. Though, the conventional methods of water/sewage treatment are not completely effective in removal of these compounds. The target of the study is to investigate their elimination from water by a hybrid M-O process consisted of membrane process (M at ICPF CAS CZ) followed by oxidation process (O at Universtité de Poitiers FR). Comparing to direct oxidation processes, successful development of selective membranes may eliminate aimed pollutants from water without influencing its natural composition or paradoxical contaminating by undesirable by-products. Moreover, diffusion/desorption membrane system will remarkably decrease the necessity of recovery treatment procedure in comparison to adsorbents, suffering from quick saturation. PhD study will be co-supervised in case of successful application for scholarships offered by the French government (cotutelle); otherwise it will entirely take place in Czech Republic.

Required education and skills:

• Master degree in chemistry or environmental studies;
• willingness to do experimental work, travel and learn new things;
• team work ability.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Separation of racemic mixtures by membrane processes

Supervisor: Ing. Pavel Izák, Ph.D., DSc.

Department of Membrane Separation Processes
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The aim of the doctoral thesis is the separation of racemic mixtures by membrane separation processes. The racemic mixtures contain the same amount of L and D enantiomers. The individual enantiomers have the same physicochemical properties in the achiral environment and therefore it is very difficult to separate them. However, in the human body, the L and D enantiomers have different effects and the D enantiomers may be detrimental to health. Ph.D. work will focus on the development of new membranes and separation techniques for the selective separation of enantiomers from racemic mixtures with practical applications, especially in the pharmaceutical, food or agrochemical industries.

The doctoral candidate will be required to work out a detailed search of international literature on the subject (need for active English knowledge), independent measurement and results processing, and in co-operation with the supervisor writing publications to international journals.

Required education and skills:

• Higher education (Ing., Mgr.) In chemical engineering, physical chemistry, organic technology, or polymer chemistry;
• willingness to experiment and learn new things;
• team work ability.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY

Synthesis of fluorinated oligosaccharides and the study of their conformation and protein interaction by NMR

Supervisor: Mgr. Jindřich Karban, Ph.D.

Department of Bioorganic Chemistry and Nanocomposites
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Enormous structural diversity of carbohydrates renders them ideal for encoding biological information. This information is decoded and translated into a wide variety of fundamental intra- and intercellular processes by non-covalent interaction with carbohydrate-binding proteins. ¹⁹F NMR has emerged as a versatile and powerful tool to detect and characterize carbohydrate-protein binding events due to particularly favorable properties of ¹⁹F nucleus. The subject of this doctoral thesis is the synthesis of natural and fluorinated analogues of selected biomedically relevant oligosaccharides, the study of their conformation in solution, and the analysis of their interaction with the cognate proteins by monitoring changes in ¹⁹F NMR resonances. The students is expected to conduct a large amount of synthetic chemistry, master advanced NMR techniques and learn fundamentals of glycobiology.

Required education and skills

• Master degree in organic chemistry or organic technology;
• interest in organic synthesis and glycoscience.

References:

1. Matei, E. et al. Chem. Eur. J. 2013, 19, 5364.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY

Synthesis of ruthenium-carbohydrate conjugates as antimetastatic and cytostatic agents with an enhanced selectivity for cancer cells

Supervisor: Mgr. Jindřich Karban, Ph.D.

Department of Bioorganic Chemistry and Nanocomposites
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Tumor cells exhibit drastically higher glucose uptake than normal cells and this phenomenon is accompanied by upregulated expression of glucose transporters (GLUTs) in the cytoplasmic membrane. It was demonstrated that linking of a cytostatic agent to glucose can increase the efficiency and selectivity owing to a specific transport of the conjugate into tumor cells by GLUTs. The aim of this doctoral project is to prepare antimetastatic ruthenium-arene complexes and cytotoxic ruthenium-tetrazene complexes regioselectively linked to glucose and other relevant monosaccharides. The antimetastatic and cytostatic activity of the resulting complexes will be determined in cooperation with The Masaryk Memorial Cancer Institute.

Required education and skills

• Master degree in organic chemistry/technology or inorganic chemistry.

References:

1. Patra, M.; Awuah, S. G.; Lippard, S. J. J. Am. Chem. Soc. 2016, 138, 12541.
2. Calvaresia, E. C.; Hergenrother, P. J. Chem. Sci., 2013, 4, 2319.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Thermodynamics and structure of racemic mixtures: A molecular study

Supervisor: Prof. RNDr. Ivo Nezbeda, DrSc.

Department of Membrane Separation Processes
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Most bioorganic molecules are chiral and in nature they exist only in one enantiomeric form. However, these molecules are produced by pharmaceutical and agrochemical industries as racemic mixtures (equimolar mixture of two chiral forms) and methods of their separation are therefore of extreme importance.

One of the separation methods is by means of porous materials or membranes. A large number of experimental data has been collected but molecular studies of chiral adsorption are scarce. Consequently, full molecular understanding of the separation process is missing and its design is therefore based primarily on trial-and-error.

The topic of the Ph.D. thesis is a study of thermodynamic and structural properties of solutions of chiral molecules using molecular and numerical modeling. The goal of the project is to cast light on molecular mechanisms behind preferential affinities of chiral molecules toward various potential adsorbents and the role of different intermolecular interactions.

Required education and skills

• M.Sc. in physical chemistry, physics, or chemical engineering;
• basic programing skill;
• interest in research.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

Effect of interfacial properties on dynamics of bubbles and drops

Supervisor: Sandra Orvalho, Ph.D.
Co-supervisor: Ing. Petr Stanovský, Ph.D.

Department of Multiphase Reactors
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Multiphase systems consisting of a gas phase or a liquid phase dispersed in a liquid environment, such as foams, emulsions, are omnipresent in nature and in living systems, as well as in industrial products of high added value as in pharmaceutical and cosmetical applications. The presence of surfactants (SAS) alters the behavior of many multiphase processes, and for systems in motion, the characterization of the interface only by surface tension is not enough and less conventional measurements of surface rheology and SAS adsorption/desorption characteristics are crucial.

The aim of this work is to experimentally determine the influence of SAS on the dynamics of processes with bubbles and drops (movement, dissolution, breakup, coalescence, etc.) and to characterize selected SASs by measuring relevant physico-chemical and transport properties.

The typical work will include measurements of interfacial rheology, observations of bubble/drop dynamics by a high-speed camera, processing the acquired data using Matlab, but also building single-purpose experimental equipment and physical interpretation of results.

The applicant should have a master degree in chemical or mechanical engineering or in physical chemistry and should be systematic and have a creative approach to research.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

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

Supervisor: Doc. Ing. Marek Růžička, CSc., DSc.
Co-supervisors: Ing. Mária Zedníková, Ph.D., Sandra Orvalho, Ph.D.

Department of Multiphase Reactors
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

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

Required education and skills

• Master degree in chemical or mechanical engineering, or physics and mathematics;
• ability and willingness to study;
• creative approach and team-work.

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GRADUATE PROJECT IN ORGANIC TECHNOLOGY

Enzyme-catalyzed reaction of vegetable oils in supercritical CO₂

Supervisor: Ing. Marie Sajfrtová, Ph.D.

Co-supervisor: Ing. Helena Sovová, CSc.

Department of Advanced Materials and Organic Synthesis
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Enzymatic reactions in supercritical carbon dioxide (scCO₂), combining advantages of enzyme specificity, fast diffusion in supercritical fluids, and non-toxic scCO₂, are a relatively new and promising field of research. In the present project, they are applied to enrich the products of vegetable oil reactions with omega-3 a omega-6 polyunsaturated (essential) fatty acids, necessary in nutrition. The reactions catalyzed by a regiospecific enzyme and methods for separation of the fraction enriched in essential fatty acids from reaction mixture will be studied. The aim is to propose a “green” way to prepare enriched vegetable oils, which will integrate the extraction of oil from seeds, its reaction, and fractionation of reaction mixture and will be based on the application of scCO₂.

Required education and skills

• University degree (Ing., Mgr., MSc.) in food engineering or organic technology and/or chemical engineering;
• positive and systematic approach to work duties, motivated, reliable.

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GRADUATE PROJECT IN ORGANIC TECHNOLOGY

Formation of microparticles from natural extracts using supercritical CO₂

Supervisor: Ing. Marie Sajfrtová, Ph.D.

Department of Advanced Materials and Organic Synthesis
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

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

Required education and skills

• University degree (Ing., Mgr., MSc.) in organic technology, physical chemistry, material engineering, chemical engineering or food engineering;
• positive and systematic approach to work duties, motivated, reliable.

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GRADUATE PROJECT IN ORGANIC TECHNOLOGY / ENVIRONMENTAL SCIENCES

Vertical gradients of atmospheric aerosols at a rural site

Supervisor: Ing. Jaroslav Schwarz, CSc.

Co-supervisors: RNDr. Naděžda Zíková Ph.D., Ing. Petr. Vodička Ph.D.

Department of Aerosols Chemistry and Physics
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The composition of atmospheric aerosols generally differs with the height above the Earth's surface. The composition at higher altitude is more representative for aerosols transported over long distances. The 250 m high atmospheric tower at the Kosetice National Atmospheric Observatory presents a unique opportunity to study this gradient over extended periods, as opposed to on-off measurements using various airborne platforms. The aim of this doctoral thesis is to obtain data on the chemical composition of aerosols at two heights using aerosol mass spectrometry methods and to evaluate them using meteorological parameters of the atmosphere during these on-line measurements.

Required education and skills

• Master degree in chemistry, environmental studies or meteorology;
• systematic and creative approach to work;
• both independence and team work ability.

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GRADUATE PROJECT IN ORGANIC TECHNOLOGY / ENVIRONMENTAL SCIENCES

About ambient organic aerosol origin in CR

Supervisor: Ing. Jaroslav Schwarz, CSc.

Co-supervisors: RNDr. Petra Pokorná Ph.D., Ing. Petr. Vodička Ph.D.

Department of Aerosols Chemistry and Physics
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Organic compounds are the main component of atmospheric aerosols. The development of analytical methods in recent years has allowed us to move from lengthy off-line methods to on-line measurements. This dissertation will exploit the possibilities of on-line aerosol mass spectrometry in combination with on-line measurement of light absorption on aerosols and its dependence on light wavelength to determine the proportion of their sources and their dynamics. To this end, the methods of factor analysis will be used. For example, the results of these analyzes can determine whether the transition to biomass combustion for domestic heating or biofuel in cars actually helps to improve air quality. Besides ICPF, work will take place mainly at the Košetice station in the Bohemian-Moravian Highlands.

Required education and skills

• Master degree in chemistry, physics, environmental studies or meteorology;
• systematic and creative approach to work with a sensitivity to a detail;
• both independence and team work ability.

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GRADUATE PROJECT IN ORGANIC TECHNOLOGY / ENVIRONMENTAL SCIENCES

Suger like substances in urban and rural aerosols

Supervisor: Ing. Jaroslav Schwarz, CSc.

Department of Aerosols Chemistry and Physics
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Sugar substances (sugars, sugar anhydrides and sugar alcohols) form a notable part of the mass of atmospheric aerosols. Depending on their origin they are bound to particles of different sizes, just as the particle size itself is tied to their origin. At the same time, these substances represent some of the so-called tracers, which are emitted into the atmosphere by specific sources. Characterization of the content of these substances in dependence on particle size and determination of their sources in combination with other analytical techniques at different stations in the Czech Republic will be the main content of the proposed dissertation. Rereceptor modeling methods (especially PMF) will be used to distinguish sources.

Required education and skills

• Master degree in chemistry, environmental studies or meteorology;
• ssystematic and creative approach to work;
• both independence and team work ability.

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GRADUATE PROJECT IN ORGANIC TECHNOLOGY

Preparation of nanofibrous catalysts by electrospinning technique

Supervisor: Ing. Karel Soukup, Ph.D.
Co-supervisor: Ing. Pavel Topka, Ph.D.

Department of Catalysis and Reaction Engineering
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

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 (hydrogenation). 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.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING / INORGANIC TECHNOLOGY

CHEMICAL ENGINEERING / INORGANIC TECHNOLOGY

Supervisor: Ing. Petr Stavárek, Ph.D.

Department of Multiphase Reactors
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Microreactors presents perspective devices that find many applications for their advantageous features in chemical processes. This thesis proposal aims at the study of catalytic oxidation reactions with use of a new microreactor prototype (ICPF) with a meandering channel that is more than 3 meters long. In contrast to conventional laboratory reactors, such a particular geometry of the microreactor permits to conduct a reaction study or catalyst testing under the mass and heat transport conditions that are in fact identical to conditions prevailing in industrial reactors. The work will consist in the performing of experimental tests with complex gas-phase reactions in an innovative microreactor, collecting and evaluating of experimental data and process modeling.

The candidate should have a good knowledge of chemical and reaction engineering, organic chemistry and has good computer skills to work with data acquisition and evaluation systems as well as with mathematical modelling software. To complete the delegated tasks, the personal abilities such as independence, creativity and team work ability will be required.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING / INORGANIC TECHNOLOGY

Optimization and design of 3D printed catalytic supports for gas-liquid flow conditions

Supervisor: Ing. Petr Stavárek, Ph.D.

Co-supervisor: Doc. Ing. Jaromír Havlica, Ph.D.

Department of Multiphase Reactors
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The 3D printing technology provides new possibilities for design and fabrication of chemical reactors and catalyst supports. Principally it brings the possibility to tailor the device or catalyst support to the selected process. Therefore, the objective of this work is design and 3D printing of an optimal structure of a catalyst support that is tailored to a model heterogeneous gas-liquid-solid reaction. The optimized design will be a result of experimental study of gas-liquid flow hydrodynamics through structured fillings and process modeling by CFD (OpenFOAM, ANSYS Fluent) including a model chemical reaction.

The candidate should have a good knowledge of chemical and reaction engineering, and has good computer skills to learn data acquisition and evaluation systems, mathematical modelling software as well as 3D printing process. To complete the delegated tasks, the personal abilities such as independence, creativity and team work ability will be required.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY / ORGANIC TECHNOLOGY / INORGANIC CHEMISTRY

Synthesis and study of helicene-based compounds for CP-OLEDs

Supervisor: Ing. Jan Storch, Ph.D.
Co-supervisor: RNDr. Jaroslav Žádný, Ph.D.

Department of Advanced Materials and Organic Synthesis
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The aim of this Ph.D. thesis will be the design, synthesis, characterization and resolution of helicene derivatives and their transition metal complexes (e.g. 1). Such molecules will serve for preparation of functional layers applicable in CP-OLEDs. Simultaneously chiroptical properties of such ligands and their metal complexes will be intensively studied. This part will be performed in close cooperation with Université Rennes 1.

Required education and skills

• Master degree in organic/inorganic chemistry or organic technology;
• systematic and creative approach to work;
• team work ability.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY / ORGANIC TECHNOLOGY

Synthesis of organosilane dendrimers for bioapplications and material chemistry

Supervisor: Ing. Tomáš Strašák, Ph.D.

Department of Bioorganic Compounds and Nanocomposite
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

In the last decade great progress was achieved in development of drug delivery systemsDDS with aims to target releasing of drugs in organism in required place and time. The aim of the project will be synthesis, characterization and study biological effects of new types of dendrons and evaluation of their potential as DDS with anticancer effect (in cooperation with Department of Biology J. E. Purkinje University). The library of dendritic nanostructures 1st–3rd generation bearing phosphonium or carbohydrate terminal functional groups. These nanostructures will be conjugated with binding peptides/fragments (imunoglobulin) antibodies to achieve their specific delivery into target cancer cells. Detailed analysis of products by appropriate techniques (NMR, MS techniques, GPC, etc.) will be a part of this project.

Required education and skills

• Master degree in organic chemistry or technology... ;
• willingness to do experimental work and learn new things;
• team work ability.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY

Synthesis of extended polyaromatic systems for optoelectronicss

Supervisor: Ing. Jan Sýkora, Ph.D.

Co-supervisor: Mgr. Illia Panov, Ph.D.

Department of Advanced Materials and Organic Synthesis
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The aim of this Ph.D. thesis will be the development of synthesis, structural characterization and a study of properties of extended polyaromatic [n]helicenes 1, 3 and [n]phenacenes 2 (n > 16). Synthetized molecules will be used for preparation of functional layers, in the case of helicenes with the emphasis on their unique optical properties (CPL OLED, CPL OFET). Simultaneously, electrochemical properties and self-assembling on substrates (metals) will be intensively studied.

Required education and skills

• Master degree in organic chemistry or technology;
• systematic and creative approach to work;
• team work ability.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

Stability and physico-chemical properties of nanofluids

Supervisor: Ing. Jaroslav Tihon, CSc.
Co-supervisor: Ing. Věra Pěnkavová, PhD.

Department of Multiphase Reactors
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Suspensions of solid nanoparticles (usually metals, metal oxides, or graphite with characteristic dimensions between 1 and 100 nm) in common basic liquids (water, oil, ethylene glycol), often prepared with the help of dispersants, are known as nanofluids. These suspensions exhibit improved thermal conductivity and thus significant effort has been exerted to use them as heat transport media. In spite of great interest in nanofluids supported by many publications, the nanofluids are still not commercially employed. The main reason is their insufficient longtime stability.

The aim of this project is to study different factors affecting nanofluids stability (e.g. size, shape, and concentration of nanoparticles, pH balancing, addition of dispersants, and homogenization process). Physico-chemical properties of nanofluids (surface tension, thermal conductivity, and Zeta-potential) and their flow characteristics (viscosity, non-Newtonian properties, and possible apparent wall slip) will be investigated as well.

The candidate should have a M.Sc. degree in chemical engineering, physical chemistry, or in a similar applied science field. Some experimental skill and basic knowledge of hydrodynamics is appreciated. However, the enthusiasm for scientific work is only the principal requirement.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

Study of bubble and drop interactions with a turbulent vortex

Supervisor: Ing. Jaroslav Tihon, CSc.
Co-supervisor: Ing. Ing. Mária Zedníková, Ph.D.

Department of Multiphase Reactors
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Gas-liquid or liquid-liquid dispersions are encountered in numerous technological and biotechnological processes. The fluid particles (bubbles or droplets) break in the turbulent liquid flow and form a complex multiphase system. Understanding the particle breakup mechanism at turbulent flow conditions is important because theoretical models describing this mechanism are essential for the numerical modeling of complex multiphase systems.

The postgraduate project will be focused on the experimental study of dynamic behavior of bubbles and drops after their interaction with a turbulent vortex in order to determine the breakup rate of original particles and the size distribution of newly formed particles. The breakage mechanism will be studied in dependence on various hydrodynamic and physico-chemical conditions of the studied system.

Our department is well equipped for the study of bubble/drop breakup in turbulent flow. Cells for controlled generation of bubble, toroidal vortices and intense turbulent flow are available, as well as all the control and evaluation software.

Requirements for the applicant: master degree in chemical or mechanical engineering; ability to teamwork; systematic and creative approach to scientific problems; interest in experimental work.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Thermodynamic study of the role of terpenes on formation of secondary organic aerosols

Supervisor: Ing. Zdeněk Wagner, CSc.

Department of Aerosols Chemistry and Physics
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Terpenes originating from foliage by natural processes together with products of their photooxidation and ozonolysis play an important role in secondary organic aerosol (SOA) formation. The mechanism is not yet explained because the experimental values of physico-chemical properties are not available in the literature. The aim of the work is thus experimental determination of physico-chemical properties that are needed for understanding of the SOA formation, namely saturated vapour pressures, densities, UV-Vis absorption and surface tension of terpenes and their water solutions. The properties will also be described by relevant thermodynamic relationships.

Required education and skills

• Master degree in physical chemistry, physics, or organic chemistry;
• basic programming skills and experience with Linux are an advantage;
• systematic and creative approach to work;
• team work ability.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

Study of transport characteristics in various types of bioreactors

Supervisor: Dr. Ing. Tomáš Moucha¹
Co-supervisor: Ing. Mária Zedníková², Ph.D.

¹Department of Chemical Engineering, UCT Prague, Technická 5, Prague 6
²Department of Multiphase Reactors, Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Nowadays, the design of new complex technologies is often based on results of numerical simulations. However, these methods require reliable physical models based on reliable experimental data. Fermentation, in which the contact of gas and liquid occurs, is one of these complex biotechnologies and the choice of an appropriate bioreactor design is crucial for the lifetime of the microorganisms present. The purpose of the postgraduate project is to obtain experimental design parameters (transport characteristics) for various types of bioreactors. These parameters will verify the reliability of the physical models and thus, the results of numerical simulations. Such validated computational simulations will be advantageous by their versatility for various types of bioreactors and also by the possibility of extrapolating the design parameters beyond the range of measurable operating conditions.

Both co-operating departments are well equipped and have three types of bioreactors suitable for measurement of the transport characteristics: i) stirred tank reactor; ii) bubble column; and iii) air-lift reactor.

Requirements for applicant: master degree in chemical or mechanical engineering, organic technology, biotechnology etc.; ability for teamwork; systematic and creative approach to scientific problems; interest in experimental work.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY / CHEMICAL ENGINEERING

Transformations of aerosol particles due to changes in gaseous environment

Supervisor: Ing. Vladimír Ždímal, Dr.
Co-supervisor: Ing. Jaroslav Schwarz, CSc.

Department of Aerosols Chemistry and Physics
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The aerosol particles are omnipresent in the atmosphere, influencing many processes on the Earth starting from the global warming to health effects. They tend to be both in physical and chemical equilibrium with their gaseous environment, but due to dynamic changes in the atmosphere or during their transport to human lungs, the particles change during their lifetime. Therefore, it is necessary to study their answers to these changes to be able to predict their fate and effects after their release to or formation in the atmosphere. The study will be done using a newly developed system of laminar flow reactors enabling to control ambient conditions of particle neighborhood. The doctoral student is supposed to study these phenomena using advanced methods of aerosol instrumentation including on-line chemical and physical characterization of particles by aerosol mass spectrometry.

Required education and skills

• Master degree in chemical engineering, physical chemistry, organic technology, chemical physics,
  meteorology ... ;
• willingness to do experimental work and learn new things;
• team work ability.

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GRADUATE PROJECT IN ENVIRONMENTAL SCIENCES / DRUGS AND BIOMATERIALS

Aerosol behavior after inhalation—an experimental study

Supervisor: Ing. Vladimír Ždímal, Dr.
Co-supervisor: Ing. Jakub Ondráček, Ph.D.

Department of Aerosols Chemistry and Physics
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Project deals with experimental investigations on real aerosol changes due to changing temperature and relative humidity. The topic is closely tied with two hot issues of recent aerosol research: health effects and global climate changes. Two types of experiments will be carried out. In laboratory experiments, model aerosol systems will be used representing various subgroups of atmospheric aerosols. Samples of atmospheric aerosols will be taken to observe hygroscopic behavior depending on particles origin: transport, biomass combustion, etc. Another case study will be performed on aerosol inhalers and behavior of generated particles upon their entrance to the human respiratory tract.

The project is commendable to highly motivated students capable of self-reliant work with world-class instrumentation. The student is assumed to function as a member of a team consisting of graduate students and postdocs, having frequent contacts with the international scientific community during European projects and international conferences and workshops. The laboratory is equipped by top aerosol instrumentation with a capacity to built/modify instruments for specific applications.

References

1. Harrison R. M., van Grieken R.E.: Atmospheric Particles, John Wiley, New York, 1998.
2. Seinfeld J. H., Pandis S. N.: Atmospheric Chemistry and Physics, John Wiley, New York, 1998.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY / CHEMICAL ENGINEERING

Study on transformations of organic aerosols

Supervisor: Ing. Vladimír Ždímal, Dr.
Co-supervisor: Ing. Tereza Trávníčková, Ph.D.

Department of Aerosols Chemistry and Physics
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Secondary organic aerosols (SOA) as important components of atmospheric aerosols influence Earth’s climate, human health and life expectancy. They are produced by atmospheric photooxidations of anthropogenic and biogenic volatile organic compounds (BVOCs) via gas-to-particle conversion. Terpenes and isoprenes belong to the most abundant chemical species detected in BVOC emissions. They can be oxidized to form semi- and low-volatile carbonyls, acids, and other products, transitioning between gas and particulate phase. To correctly describe these transformations by mathematical models, knowledge of thermodynamic and transport properties of these compounds is needed. The doctoral student will study these phenomena using advanced aerosol instrumentation including on-line chemical and physical characterization of particles by mass spectrometry.

Required education and skills

• Master degree in chemical engeneering, physical chemistry, organic technology, chemical physics,
  meteorology ... ;
• willingness to do experimental work and learn new things;
• team work ability.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY / ENVIRONMENTAL SCIENCE

Hygroscopicity of aerosol particles

Supervisor: Ing. Vladimír Ždímal, Dr.
Co-supervisors: Hichem Bouzidi, MSc., Ph.D., Ing. Jaroslav Schwarz, CSc.

Department of Aerosols Chemistry and Physics
Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Hygroscopicity of aerosol particles is their ability to bind air humidity. This changes their shape, size and phase behavior. Hygroscopicity affects the ability of particles to become cloud condensation nuclei, their optical properties, global climate change, and human health.

The aim of the project is to study hygroscopicity of aerosol particles in the laboratory and in the atmosphere. In the laboratory, aerosol particles composed of substances commonly found in atmospheric aerosols will be generated and their hygroscopicity studied using HTDMA spectrometer. At the National Atmospheric Observatory Kosetice, atmospheric aerosol will be sampled using spectrometers HTDMA, SMPS, APS and AMS. Moreover, samples on filters and impactors will be analyzed in the laboratory. Experimental resuilts will be compared with model predictions.

Required education and skills

• Master degree in chemical engineering, physical chemistry, organic technology, chemical physics, meteorology, environmental sciences;
• willingness to do experimental work, learn new things and work in a team.

References

1. Seinfeld J. H., Pandis S. N.: Atmos. Chemistry and Physics, J. Wiley, NY, 1998.

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