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Theoretical Investigation of Friedlander Reaction catalyzed by CuBTC
Položij, Miroslav ; Nachtigall, Petr (advisor) ; Čejka, Jiří (referee)
The mechanism of Friedlander reaction was investigated theoretically. The main objective was to find a reaction path of Friedlander reaction catalyzed by Cu3(BTC)2 (BTC = benzene-1,3,5-tricarboxylic acid), a microporous metal organic framework. In addition, possible mechanisms of non-catalyzed and acid-catalyzed reaction were investigated in the gas phase and in the solution. The suitability of Cu3(BTC)2 as catalyst for Friedlander reaction is discussed based on the computational results obtained.
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Catalytic function of DNA-dependent RNA polymerases
Sýkora, Michal ; Vopálenský, Václav (advisor) ; Lichá, Irena (referee)
DNA-dependent RNA polymerase is a highly organised protein complex that is responsible for gene expression and its regulation. Multisubunit RNA polymerase with its several catalytic activities is responsible for transcription of genes to RNA copies in all cellular organisms. During transcription RNA polymerase undergoes substantial conformational changes depending on the conditions in a particular cell. RNA polymerase in a state designated as an elongation complex passes through repetitive cycles of adding a nucleotide to the growing RNA chain. The active center contains two magnesium ions which coordinate the reactive groups of substrates. Furthermore, the active center contains structural elements that participate in binding of substrate, propper orientation of substrate towards the template strand and translocation of the RNA polymerase. The most important of these mobile structural elements are the bridge helix and the trigger loop whose conformational changes accompanies nucleotide addition cycle. Advances in the structural and biochemical characterization of RNA polymerase open new possibilities in the understanding of the transcription mechanism, its fidelity and control.
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Immobilization of protease V8 on magnetic particles for application to proteolytic cleavage of pepsin A
Čepa, Adam ; Pacáková, Věra (advisor) ; Tichá, Marie (referee)
This thesis is part of a long-standing research in the field of diagnosis of the stomach diseases, which is based on the gastric enzyme pepsin A mapping. It was found that a phosphorylation in the primary structure of this enzyme may serve as a marker of incipient stage of carcinogenesis. This thesis is focused on the immobilization of protease V8 isolated from microorganism Stafylococcus aureus to magnetic agarose beads. Protease V8 is a promising candidate for producing peptide maps of pepsin A. The influence of pH, temperature and reaction time on the enzyme to activity has been studied and the optimal conditions for hydrolytic catalysis of formation of peptide fragments of pepsin A.
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Activity of new nickel-complexes in coupling reactions
Plaček, Martin ; Svoboda, Jan (advisor) ; Hoškovec, Michal (referee)
In this work, we report the study of the catalytic activity of newly prepared coordination compounds of nickel(II) (complexes were prepared by prof. Kyritsis, University of Athens). The activities in model reactions of Kumada and Suzuki coupling and polymerization of 2,5- dibromo-3-hexylthiophene were tested. For Kumada coupling, the activity is comparable with known complex [Ni(dppp)Cl2]. On the other hand, selected complexes exhibit only limited activity for Suzuki coupling. GRIM polymerization of 2,5-dibromo-3-hexylthiophene was successful. Properties of prepared polymers are comparable with polymers prepared via known route with [Ni(dppp)Cl2].
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Redox and catalytic properties of modified papain
Lachmanová, Štěpánka ; Zima, Jiří (referee) ; Hudeček, Jiří (advisor)
Redox and Catalytic Properties of Modified Papain Endopeptidase papain could be modified by the organometallic complex [(η6 -C6H5(CH2)2NHCO(CH2)Cl)Ru(N^N)Cl]Cl, (N^N) = 1,10-phenanthroline (TB11), which binds to the free sulfhydryl group of cysteine in the active centre of protein. This modification influences the catalytic properties of papain. The redox properties of the TB11 complex in its free form and when it is bound to papain were studied by the polarographic and voltammetric methods. Modified endopeptidase is reduced in the adsorbed state. Therefore, a phase-sensitive AC voltammetry is used for studies of the electron transfer in the TB11 modified papain. This method gives suitable methodology for studying the electron transfer rates in the systems influenced by adsorption. Using this method the catalytic hydrogen evolution process was detected not only in the TB11, but also for TB11 covalently-attached to the papain molecule. The results help better understand the catalytic mechanism of the hydrogenation reactions in the presence of TB11 modified enzyme. Adsorption properties of papain at different substrates were studied by AFM measurement. The formation of a compact monolayer was proved for the gold substrate modified by a layer of 11-mercaptoundecanoic acid.
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Decomposition of Volatile Organic Compounds in Gliding Arc Discharge
Grossmannová, Hana ; Kapička, Vratislav (referee) ; Pekárek,, Stanislav (referee) ; Krčma, František (advisor)
The aim of this thesis was to elaborate the issue of the decomposition of volatile organic compounds in the Gliding Arc plasma discharge at atmospheric pressure. Technologies based on nonthermal plasma could offer a good alternative to conventional techniques for the decomposition of volatile organic compounds, such as thermal and catalytic oxidation. Gliding Arc discharge (GidArc) is a widely exploited nonthermal plasma source used for many industrial applications, such as air-pollution control. The energy efficiency, reaction selectivity or production of specific species may be achieved in this kind of plasma, and thus for various chemical processes it can be much more effective then in conventional techniques. Presented experiments are linked to the previous results published in diploma thesis, which gave us the basics for construction of new reactor and optical emission spectroscopy measurements have been done to characterize the plasma. Toluene (aromatic, unsaturated), cyclohexane (aromatic, saturated) and hexane (aliphatic, saturated) were used as the model compounds for these experiments in the concentration range from hundreds to thousands ppm. Results focused on the electrical parameters of the reactor were carried out, with the aim to operate the system at a lower energy cost. In order to get the time-resolved diagnostics of the moving plasma channel, the evolution of the plasma channel was recorded continuously by using a high-speed video camera. In next part of the work, some results concerning generation of low molecular products like nitric oxide, nitrogen dioxide, hydrogen and carbon monoxide on the discharge conditions are presented. In combustion process, undesirable mixture of toxic highmolecular by-products can be formed. Samples were therefore analysed in gas chromatograph linked to mass spectrometer, to characterize the chemical transformation pathway of VOC in plasma.
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Influence of catalysts on polyurethane formation
Chadima, David ; Petrůj, Jaroslav (referee) ; Kučera, František (advisor)
The bachelor thesis deals with the influence of catalysts on polyurethane formation. The theoretical part includes basic knowledge of polyurethane chemistry complemented by a literature review contains information about catalysis and reaction mechanism of polyurethane formation. In experimental part were studied effects of catalysts N,N,N',N' tetramethylethylenediamine, Stannous octoate, 1,4-Diazabicyclo[2.2.2]octane and Dibutyltin dilaurate at the rate of synthesis of the polyurethane resin. The measurement was based on measuring the time for which the reaction mixture reaches the maximum temperature. Effective concentrations of catalysts use were calculated. By additional measurement was performed simplified calculation of the activation energy for the demonstration of the effect of temperature on the observed reaction.
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Lanthanocene Catalysts for Synthesis of Polymers Applicable in Medicine
Slanina, Ondřej ; Kábelová, Božena (referee) ; Richtera, Lukáš (advisor)
The theoretic part of the thesis focuses on materials used in medicine. The metallic, ceramic, glass-ceramic and polymer materials are systematically described. The biocompatibility of the materials and possible threads of their usage for manufacturing of medicinal devices and implants are emphasized in the discussion. The work is focused especially on polymer materials. Different types of polymerizations are summarized with the accent on the preparation of biodegradable materials. In the practical part the synthesis of two organometallic bis(pentamethylcyclopentadienyl) sandwich complexes with holmium and gadolinium as a central atom designed for preparation of materials suitable for biomedicine is proposed.
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Synthesis of Lanthanidocene Based Compounds
Pospíšek, Marek ; Zmrzlý, Martin (referee) ; Richtera, Lukáš (advisor)
The aim of this bachelor thesis is to summarize the issues of the polymerization catalytic systems based on lanthanidocene complexes. These complexes are subsequently divided by the structure into four basic groups. One part of this work deals with an overview of the most interesting results of the catalytic systems, which are then analyzed and assessed either in its entirety or point of view of catalytic activity, living mechanism of polymerisation and stereo or regioselectivity. The focus is also placed on type of monomers or the conditions of polymerization. In this part of thesis are also described general methods for their synthesis. Found analogies and generalization are commented from the point of view of the design of the catalytic systems for the purpose of choosing the stereo or regioselectivity, molar mass and its distribution. This gives significance to these complexes as catalytic systems for obtaining the required polymer properties. The acquired knowledge is used for the theoretical design of the catalytic system for controlled polymerization.
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