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Molecular modelling - Structure and Properties of carbene-based catalyst
Kulovaná, Eva ; Zmrzlý, Martin (referee) ; Richtera, Lukáš (advisor)
Molekulové modelování umožňuje předpovídat chování nových látek a napomáhá při jinak obtížné interpretaci experimentálních dat. Záměrem našeho studia byla predikce vybraných vlastností polymeračních katalyzátorů na bázi karbenů, predikce jejich struktur a spektrálních charakteristik. K ověření chování karbenů a jejich prekurzorů ve formě chloridů byly studovány vybrané charakteristiky molekuly. Byla provedena vizualizace vybraných molekulových orbitalů a map elektrostatických potenciálů a elektronových hustot. Následně pomocí počítačových programů byly získány teoretické vazebné délky a úhly vybraných imidazolových a imidazolinových sloučenin a z nich připravených karbenů. Data strukturně podobných, již charakterizovaných sloučenin, byla získána z CCDC (Cambridge Crystallographic Data Centre) a následně konfrontována s námi vypočítanými daty. Byla změřena infračervená (IČ) a Ramanova spektra imidazolové soli a IČ spektrum příslušného karbenu. Tato spektra byla konfrontována s napredikovanými.
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Electrospun fibers based on PVDF and nylon
Černohorský, Petr ; Sobola, Dinara (referee) ; Papež, Nikola (advisor)
Polymer nanofibers used for the construction of triboelectric nanogenerator (TENG) and piezoelectric nanogenerator (PENG) are new and promising technologies for energy recovery. Thanks to the generation of electrical energy based on mechanical movement (deformation), these fibers can find application in the field of self-powered electronic devices. In this work, three nanofibrous structures of materials were prepared by electrostatic spinning: pure polyvinylidene fluoride (PVDF), pure polyamide-6 (PA6) and their mixed combination PVDF / PA6. Non-destructive analyzes such as Raman spectroscopy, FTIR, XPS and electron microscopy were used to study the properties of nanofibers. Analyzes confirmed the positive effect of electrostatic spinning of polymers on the support of the formation of highly polar crystalline -phase in PVDF and , -phase in PA6. The structure arrangement of the nanofibrous material and their defects were observed by scanning electron microscopy (SEM). Furthermore, the contact angle of the wettability of the liquid on the surface was measured for the materials, and the permittivity was measured to monitor the dielectric properties. The described results make the mixed material PVDF / PA6 very promising for further research in the field of nanogenerators and functional textiles.
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Utilization of Raman spectroscopy and Raman tweezers for analysis and isolation of PHA producing bacteria
Beránková, Barbora ; Enev, Vojtěch (referee) ; Obruča, Stanislav (advisor)
This diploma thesis deals with the study of the utilization of Raman spectroscopy and Raman tweezers for analysis and isolation of polyhydroxyalkanoates (PHA) producing bacteria. Using gas chromatography with FID detection, we determined the polyhydroxybutyrate (P(3HB)) content of the PHA biomass of bacterial strains Burkholderia cepacia, Halomonas halophila, Cupriavidus necator H16 and its mutant strain Cupriavidus necator H16/PHB-4 and Lactobacillus delbrueckii, which is not a producer of polyhydroxyalkanoates but this bactrea was selected as representative of Gram-positive bacteria. Subsequently, thanks to Raman microspectroscopy, Raman tweezers and FT-IR spectrometer in combination with Raman FT-module, we were able to confirm or disprove the presence of P(3HB) in bacteria. Furthermore, the thesis describes Cupriavidus necator H16, which is a model organism for the production of P(3HB), and his mutant strain Cupriavidus necator H16/PHB-4. The bacterial strain Cupriavidus necator H16 was cultivated in a production mineral medium of various nitrogen contents, while cultivation was also carried out in liquid Nutrient Broth. By this cultivation we were able to reach various P(3HB) content in bacterial biomass, the spectra were subsequently compared with the spectrum of the bacterial strain Cupriavidus necator H16/PHB-4. Raman spectroscopy is well used to characterize the composition of individual bacterial cells, is a fast, versatile, and virtually non-invasive tool for studying cells.
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Design of the carbon atomic source for deposition of graphene in UHV
Čalkovský, Vojtěch ; Bábor, Petr (referee) ; Mach, Jindřich (advisor)
This bachelor's thesis deals with the design of the atomic carbon source for deposition of graphene layers in UHV conditions. In the first part are briefly described the problems of epitaxial growth, the theory of atomic beams and theory of sublimation. The second part is aimed on graphene description, namely on his properties and on the growth of graphene layers, especially by molecular beam epitaxy. The third part contains brief description of detection and analysis methods of carbon atomic beams. In the practical part of this bachelor's thesis the design and the numeric calculations were made in Simion 8.0 and EOD program. Afterwards the atomic carbon source was constructed. In the conclusion are discussed the obtained results.
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Analytical methods for determination of polyhydroxyalcanoates content in bacterial cells
Černayová, Diana ; Enev, Vojtěch (referee) ; Sedláček, Petr (advisor)
This bachelor thesis deals with methods that are used for determination of polyhydroxyalkanoates (PHA) in cells of bacteria Cupriavidus necator H16. To the applied methods belong Fourier transform infrared spectroscopy, Raman spectoscopy, turbidimetry and thermal analysis (thermogravimetric analysis and differential scanning calorimetry). The results of each method were compared to amount of PHA determinated by gas chromatography. Fourier transform infrared spectroscopy and Raman spectroscopy revealed a linear relation between ratio of characteristic peaks and amount of PHA. FTIR enabled to determine not only the quantitative amount of PHA, but the quality of the sample (cristallinity, amorphous state) as well. Another method was turbidimetry, which has shown correlation between dispersion of UV-VIS light to amount of PHA in bacterial cells. Thermogravimetric analysis was the most effective technique for determination of PHA. The dependence of weight loss of PHA on its content (found by gas chromatography) was determined with the highest accuracy to gas chromatography. Tha last method- DSC was not alternative replacement for quantitative PHA determination. However, DSC indicated crystalline and amorphous state of the polymer.
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Complementary analysis of procaryotic cells by electron microscopy and Raman spectroscopy
Ikrényiová, Terézia ; Sedláček, Petr (referee) ; Hrubanová, Kamila (advisor)
This master thesis deals with conventional methods of bacterial cell analysis, polyhydroxyalkanoates, Raman spectroscopy and electron microscopy in the theoretical part. The production of polyhydroxybutyrate by selected thermophilic bacteria and their analysis by gas chromatography, cryogenic scanning electron microscopy and Raman spectroscopy is described in the experimental part. The chosen sample was analyzed by a transmission electron microscope. Comparing the results from previous mentioned methods it was found that the bacteria Schlegelella thermodepolymerans accumulated the highest amount of PHB. The lowest amount of PHB was obtained by bacteria Rubrobacter xylanophilus. The assumption that the PHB granules formed so-called needle-like plastic deformations during freeze-fracturing was affirmed by cryo-SEM photos analysis. Moreover, it was found that the bacterial cell characterization deduced from microscopic observation of samples corresponded to the description in the literature. TEM provided better resolution photos and in consequence the cells and PHB are more visible. The thesis is also focused on chemical fingerprint analysis of cells by Raman spectroscopy. Several biomolecules were identified by measured Raman spectra for the particular samples.
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Optical micromanipulation and Raman spectroscopy of cells in microfluidic systems
Klementová, Tereza ; Samek, Ota (referee) ; Mravec, Filip (advisor)
This diploma thesis deals with optimization of analysis process and measuring antibiotics induced changes in E. coli cells via Raman spectroscopy, LTRS and microfluidic systems. Optical micromanipulation by a laser beam allows noncontact and noninvasive manipulation of objects on scale 10^-5–10^-8 m, for example bacterial cells. Microfluidic device consists of microchannels and microchambers in transparent polymer and it is used for isolation, observation and cultivation of bacterial cells. Combination of these methods gives an effective tool for observation, manipulation and analysis of microorganisms. E. coli is a microorganism potentially pathogenic for humans and faster detection of its sensitivity to antibiotic treatment would make the whole process of diagnostics and treatment easier. We performed laser tweezer-Raman spectroscopy and conventional Raman spectroscopy of bacterial cells and cells under antibiotic stress and collected Raman spectra and characteristic areas were compared with literature to establish the reliability and usefulness of this method.
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Selective hydrogenation/Oxidation of CVD graphene using AFM
Přikryl, Vojtěch ; Švarc, Vojtěch (referee) ; Bartošík, Miroslav (advisor)
Graphene is a perspective material for utilization in electronics due to its high charge carrier mobility. However, in order to be applicable in practice the bandgap opening is necessary. One way of achieving this is modification of graphene by hydrogenation or oxidation. This work concerns the possibility of using AFM for local hydrogenation/oxidation of graphene depending on the bias voltage between the tip and the sample. The presence of hydrogenation/oxidation was examined by Kelvin probe force microscopy and Raman spectroscopy. The possibility of oxidation was proved but hydrogenation was not proved.
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Study of the morphology of highly oriented pyrolytic graphite irradiated by argon ions
Komínek, Josef ; Kaspar, Pavel (referee) ; Sobola, Dinara (advisor)
The main task of this bachelor’s degree work is study of highly oriented pyrolytic graphite (HOPG) using atomif force microscopy, Raman spectroscopy and XPS spectroscopy. HOPG is layered material: atoms in one layer have stronger bong between themselves than two atoms in two neighbouring layers. Wide application options require further study. HOPG is now commonly used in nano-industry. It is used as a dimension standard. HOPG of A quality was processed in this work. In order to get accurate 3D data of sample surface, AFM measuring was done. 3D models of surfaces of various sizes are made. For these purposes was used free AFM data tool. Height parameters are used to describe topography. Got parameters are important for further study.
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Raman spectroscopy teaching equipment
Indra, Zdeněk ; Sedlák, Petr (referee) ; Škarvada, Pavel (advisor)
This thesis examines the principle of the Raman phenomenon and the function of the Raman spectrometer in order to build a low-cost Raman spectrometer assembly for school laboratory teaching. The thesis lists the important parts of the device and describes their key features. Subsequently, the selection of each component is discussed and a basic experiment is performed to verify the principle of this spectrometer. In the final part, a low-cost Raman spectrometer is constructed and tested thanks to the knowledge gained.
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