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Quantitative structure-antimycobacterial acitivity relationships in the group of potential antituberculotics
Doležal, Rafael ; Waisser, Karel (advisor) ; Lehotay, Jozef (referee) ; Ponec, Robert (referee)
DOLEŽAL Rafael: Quantitative relationships between the structure and antimycobacterial activity of selected potential antituberculotics. Hradec Králové: Faculty of Pharmacy in Hradec Králové, Charles University in Prague, 2008, 274 pp. Ph.D. Thesis. The Ph.D. thesis deals with analysis of quantitative relationships between the structure and antimycobacterial activity (QSAR) of four structural classes of potential antituberculotics - derivatives of N-phenylcarbamic acid esters, derivatives of 1-phenyl-1H-tetrazole-5-thiol, derivatives of salicylamides and derivatives of salicylthioamides. In total, 600 computer models of different compounds were created. 204 of them, after conformational analysis in HyperChem 7.52 and geometric optimization with the B3LYP/6-31G* DFT method in Gaussian 03, provided data for calculation of several types of descriptors. Attention was turned especially to local, quantum-chemical descriptors of electronic properties, such as superdelocalizability, index of frontier electron density and Mulliken electric charge. The QSAR analyses are based on searching for statistically significant correlations between the antimycobacterial activities in vitro and a matrix of various descriptors by means of multiple linear regression (MLR) with the use of a selection algorithm, by the...
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Study of Optical Properties and Interference Phenomena on Thin Films of Organic Mcaterials
Schmiedová, Veronika ; Čeppan, Michal (referee) ; Mistrík, Jan (referee) ; Zmeškal, Oldřich (advisor)
Ph.D. thesis is focused on the study and determination of layer thickness and optical properties, such as the dispersion dependence of the refractive index of various materials prepared in the form of thin layer. In the first part of this work the theoretical findings in the field of spectroscopic ellipsometry are summarised. These findings are followed by the description and characterization of the light polarization, evaluation of experimental data and determination of the physical properties of studied materials. Experimental and result section of this work is devoted to the preparation and characterization of thin films of the studied materials: titanum dioxide (TiO2), new organic materials (MDMO-PPV, PCDTBT, PCBTDPP, PC60BM, PC70BM) and reduced graphene oxide (rGO). These were all selected with respect to their potential use in the organic photovoltaics.
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Study of valence band structure of transition metals and alloys by ARUPS method
Pira, Peter ; Matolín, Vladimír (advisor) ; Libra, Jiří (referee)
Heterogeneous catalysis is one of many interesting part of physics, witch surface science study. Knowing of importance of processes in catalytic reaction should predict properties of new bimetallic systems. The main task of this diploma thesis was the study of valence band of transition metals. In this diploma thesis we studied bimetallic system of palladium and tin by ARUPS. We also used methods XPS, XPD and LEED, which are classical applications in surface physics.
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Selective growth of metallic materials.
Šimíková, Michaela ; Schneeweiss, Oldřich (referee) ; Čechal, Jan (advisor)
The diploma thesis deals with selective growth of cobalt thin films on lattices created by focused ion beam on Si(111) substrates with thin film of silicon dioxide. Further, the growth and morphology of iron thin films growing on Si/SiO2 substrate without modification was studied. In the last part, thin film of a-C:H, influence of preparation parameters on their growth and ratio of sp2 and sp3 bonds, was investigated. For analysis of those films XPS, AFM, and SEM metods were used.
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Development of Atomic- and Ion Beam Sources
Šamořil, Tomáš ; Lencová, Bohumila (referee) ; Mach, Jindřich (advisor)
The objective of this master thesis was to provide the optimization of an ion-atom beam source for the improvement of its properties. The improvement of the parameters increases the efficiency of the source during the deposition of gallium nitride ultrathin films (GaN) being important in microeletronics and optoelectronics. After optimization, the depositions of GaN ultrathin films on Si(111) 7x7 at lower temperatures (
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Study of magnetic nanostructures for spintronics
Kameš, Jaroslav ; Nebojsa, Alois (referee) ; Urbánek, Michal (advisor)
The Cu/NiFe/Cu/Co/(CoOx) spin-valves have been prepared by the ion-beam sputtering method. Their GMR ratio and the time stability have been investigated by the magnetoresistance and the MOKE measurements at room temperature. The reproducibility of the preparation of the samples have been studied as well, i.e. two identically configurations of the layers should have the same magnetotransport properties.
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Heat insulating moulded refractory materials
Novotný, Radoslav ; Lang, Karel (referee) ; Raschman,, Pavel (referee) ; Havlica, Jaromír (advisor)
Doctoral thesis is focused on the study, research and development of heat insulating moulded refractory materials. The replacement of shaped instead of unshaped refractories is recently and strongly industrially demanded and belongs to ongoing research topics. With the increasing demand of energy savings, the excellent insulation properties are essential. The insulating properties of castables are the result of targeted porosity formation. The porosity is coming from the controlled air intrusion into material resulted to foamed structure. The foaming process was achieved by mixing of separately prepared aqueous foam into raw castable slurry or by in situ foaming of intensively mixed castable slurry with the surfactant additive. Nevertheless, the study of foam behaviour and the influence of additives on binder hydration and setting processes (i.e. calciumaluminate cement) was substantial for successful preparation of the experimental samples. The two types of the experimental samples were prepared. The first one was based on mixing of kaolin slurry with pre-prepared aqueous foam, whereas the de-aglomeration ability of kaolin specie was utilized to water-particle film formation. In situ foaming of multicomponent system is the second one. The both processes brought some negative attributes, so the optimal properties of prepared castables were achieved by their combination.
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Návrh apodizovaných-chirpovaných vláknových mřížek založený na metodách vrstveného dielektrika a přenosových matic
Helán, R. ; Urban, F. ; Mikel, Břetislav
This paper discusses methods for calculation properties of apodized-chirped fiber Bragg gratings (FBGs). These are one of the most enveloping optical devices in telecommunications and sensor systems. Work is aimed to design of FBGs with utilization especially in sensor systems and laser interferometry for semiconductor laser stabilization at wavelength about 760nm. FBG is described by periodic spatial function of effective mode index, including apodization and chirp profiles. Sampling makes function discrete and each sample represents one layer of dielectric media. The transfer matrix is made for each step. The overall transfer matrix is created by multiplying of these step-matrices. The spectral characteristic and group delay are calculated from overall transfer matrix at the end. This method provides design of arbitrary gratings, which are widely used in many optical systems, such as band filters, in-fiber sensors or fiber grating lasers and amplifiers for their unique properties.
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