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Identification of antimicrobila peptides in spider venom
Benýšek, Jakub ; Tichá, Marie (advisor) ; Liberda, Jiří (referee)
Still increasing resistance to antibiotics leads to the need to find new active compounds with antimicrobial properties. This work is focused on the occurrence, chemical and physical description, mechanism of action and biological activity of such substances, found in spider venom. The second part is focused on isolation and identification of compounds with these properties from the venom of wild bees and a one spider. A novel peptide was isolated and identified from venom of bee Trachusa byssina. This novel peptide possess antimicrobial properties and low hemolytic activity. Molecular weight was estimated to 1749,9 ? 0,1contains 16 amino acids and is amidated on its C-terminus. Its primary structure GILSVLKNLLKKHMAS-NH2 was determined by using Edman degradation and ESI-QTOF mass spektrometry.
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Study of derivatization reactions for ESI-MS analysis of hardly ionizable rhenium aryl chlorocomplexes
Vlk, Mikuláš ; Štícha, Martin (advisor) ; Kozlík, Petr (referee)
Mass spectrometry with electrospray ionization is an excellent method for structural analysis of coordination compounds with outstanding sensitivity and selectivity. However, it fails to detect some low-polar rhenium complexes. This master thesis describes derivatization method of non-ionizable rhenium complexes with 1,2-dihydroxybenzene and 2,3- dihydroxytoluenene. Fragmentation mechanisms and structure of prepared complexes was studied using high resolution mass spectrometry and collision-induced dissociation (CID). Furthermore, density functional theory (DFT) computational method was used for prediction of bond cleavage based on bond lengthening.
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Copper complexes with triazoles
Jaklová Dytrtová, Jana ; Jakl, M.
Triazoles are artificial chemicals used as fungicides as well as for pharmaceutical treatment. However, their reactivity is highly influenced by the presence of other chemicals. Especially, the presence of copper cations changes the reactivity of triazole by theoretically unexpected way. We have studied the interactions of the triazole ring with copper cations to help explain the reactivity of triazoles as a group.
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Tebuconazole and its behaviour in the presence of magnesium
Jakl, M. ; Jaklová Dytrtová, Jana
Tebuconazole is a fungicide frequently used in agriculture. Its possible impact to (non-)target species is influenced by its presence. Moreover, the presence of triazoles in soil has an impact to bioavailability of nutrients. This study brings the information potentially useful in the evaluation of tebuconazole fate in the environment. The studies based on the electrospray gas phase experiments provide an estimation of the tebuconazole ability to create complexes with magnesium.
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Penconazole and its behaviour in the presence of copper
Jakl, M. ; Jaklová Dytrtová, Jana
Penconazole is a fungicide frequently used in agriculture. Its possible impact to (non-)target species is influenced by its interactions e.g. with copper, typically present in soil as an ion (or in week complexes) or in bodies, as a part of enzymes. This study brings the information potentially useful in the evaluation of penconazole fate in the environment. The studies based on the electrospray gas phase experiments provide an estimate of the penconazole reactivity in copper presence including its possible degradation pathways.
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Study of Boron-Carbohydrate Interaction
Vejvodová, Tereza ; Jelínek, Ivan (advisor) ; Coufal, Pavel (referee)
The interaction between boron and sugars is significant for understanding the role of boron as a carrier for nucleotides and carbohydrates. Arylboronic acids also have wide application as sugars sensors because they are small and flexible molecules. Boron complexes play a key role in boron neutron capture therapy. This radiotherapy is important in the treatment of melanoma, glioblastoma multiforme and other types of cancer. Boron complexes with ascorbic acid and glucose were prepared in this thesis and then characterized by high-resolution mass spectrometry (HRMS). Synthesised complexes were studied using collision-induced dissociation (CID), which led to the clarification of their fragmentation mechanism. Key Words Boron complexes, ascorbic acid, glucose, carbohydrates, mass spectrometry, electrospray ionization, ESI-MS, collision-induced dissociation
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Chemical treatment of weakly ionizable uncharged complexes of rhenium for the possible identification by ESI-HRMS
Málková, Nikola ; Štícha, Martin (advisor) ; Kozlík, Petr (referee)
Detailed characterization of rhenium complexes is necessary for the potential use in clinical practice and nuclear medicine. For structure characterization and quantification of coordination compounds, mass spectrometry exceeds other analytical methods in sensitivity and selectivity. The advantage of this method for coordination chemistry is the possibility of determination of the analyte directly in the reaction mixture. The compounds need to be ionized to get relevant mass spectra. The ionization of these compounds is often very difficult and it is necessary to develop a special derivatization procedures. Complexes of rhenium with 1,2-dihydroxybenzene and 4-methyl-1,2-dihydroxybenzene and it's derivatives with p- chloroaniline and p- bromoaniline have been prepared and characterized by ESI-HRMS. The fragmentation mechanisms of these complexes have been studied using a mass spectrometry technique collision-induced dissociation (CID). Keywords Rhenium complexes, rhenium, 1,2-dihydroxybenzen, 4-methyl-1,2-dihydroxybenzen, mass spektrometry, derivatization, ESI-MS, CID
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Identification of antimicrobila peptides in spider venom
Benýšek, Jakub ; Liberda, Jiří (referee) ; Tichá, Marie (advisor)
Still increasing resistance to antibiotics leads to the need to find new active compounds with antimicrobial properties. This work is focused on the occurrence, chemical and physical description, mechanism of action and biological activity of such substances, found in spider venom. The second part is focused on isolation and identification of compounds with these properties from the venom of wild bees and a one spider. A novel peptide was isolated and identified from venom of bee Trachusa byssina. This novel peptide possess antimicrobial properties and low hemolytic activity. Molecular weight was estimated to 1749,9 ? 0,1contains 16 amino acids and is amidated on its C-terminus. Its primary structure GILSVLKNLLKKHMAS-NH2 was determined by using Edman degradation and ESI-QTOF mass spektrometry.
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