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Raman optical activity and conformational flexibility of peptides in solution
Hrudíková, Jana ; Baumruk, Vladimír (advisor) ; Kapitán, Josef (referee)
Title: Raman optical activity and conformational flexibility of peptides in solution Author: Jana Hrudíková Department: Institute of Physics of Charles University Supervisor: Doc. RNDr. Vladimír Baumruk, DrSc. Supervisor's e-mail address: baumruk@karlov.mff.cuni.cz Abstract: Molecular flexibility can significantly modify Raman and ROA spectral intensities, band positions and the ROA signs. Taking into account dynamic aspects of behavior of studied molecules in solution via conformational averaging therefore seems to be crucial for spectral interpretation. The first of studied models, histidine, plays an important role in metallo-enzymatic reactions and peptide folding, due to its imidazole ring. ROA spectra of His at different pH, His complexed with Cu2+ and dipeptides His- Gly and Gly-His were recorded on the spectrometer built at the Institute of Physics of the Charles University as a first step of the subsequent study. The second studied system, a cyclic hexapeptide c-(Phe-D-Pro-Gly-Arg-Gly-Asp), serves as a convenient model for β- hairpin and anti-parallel β-sheet. It was previously studied by means of VCD and IR. From molecular dynamics simulations 10 peptide geometries were selected for spectral modeling. The Raman and ROA spectra were calculated ab initio. For a model fragment Phe-D-Pro, which...
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Combinatorial Games Theory
Valla, Tomáš ; Nešetřil, Jaroslav (advisor) ; Sgall, Jiří (referee) ; Spirakis, Paul (referee)
Title: Combinatorial Games Theory Author: Tomáš Valla Department / Institute: IUUK MFF UK Supervisor: Prof. RNDr. Jaroslav Nešetřil, DrSc., IUUK MFF UK Abstract: In this thesis we study the complexity that appears when we consider the competitive version of a certain environment or process, using mainly the tools of al- gorithmic game theory, complexity theory, and others. For example, in the Internet environment, one cannot apply any classical graph algorithm on the graph of connected computers, because it usually requires existence of a central authority, that manipu- lates with the graph. We describe a local and distributed game, that in a competitive environment without a central authority simulates the computation of the weighted vertex cover, together with generalisation to hitting set and submodular weight func- tion. We prove that this game always has a Nash equilibrium and each equilibrium yields the same approximation of optimal cover, that is achieved by the best known ap- proximation algorithms. More precisely, the Price of Anarchy of our game is the same as the best known approximation ratio for this problem. All previous results in this field do not have the Price of Anarchy bounded by a constant. Moreover, we include the results in two more fields, related to the complexity of competitive...
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Analysis of High Speed Squirrel Cage Induction Motor With Influence of Riveting
Klíma, J.
This paper deals with analyzing of high speed squirrel cage induction motor and the influence of riveting stator stack. The model of high speed induction motor was made in ANSYS Maxwell software in accordance with provided design documentation. Test bench was used to experimentally verify the results. The difference between measurement and simulation are explored. Distribution of the losses and its individual portion are discussed at the end. Stator sheets are riveted and influence of rivets will be subject of the interest.
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Statistical techniques for Loss Given Default Modeling
Betíková, Veronika ; Vaníček, Karel (advisor) ; Zichová, Jitka (referee)
Title: Statistical techniques for Loss Given Default Modeling Author: Veronika Betíková Department: Department of Probability and Mathematical Statistics Supervisor: Mgr. Karel Vaníček Supervisor's e-mail address: karelvanicek@seznam.cz Abstract: The aim of this thesis is to introduce Loss given default as one of the parameters of credit risk. The thesis discusses the basic characters and meth- ods of LGD calculation. It also points out the common use of linear regression models and generalized linear models which are used in practice to estimate LGD parameter. Individual mathematical models and statistical methods for estima- tions of the parameters of such models are concisely described and consequently applied on simulated data. Keywords: LGD, beta regression, OLS, estimation 1
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Raman optical activity and conformational flexibility of peptides in solution
Hudecová, Jana ; Baumruk, Vladimír (advisor)
Title: Raman optical activity and conformational flexibility of peptides in solution Author: Jana Hrudíková Department: Institute of Physics of Charles University Supervisor: Doc. RNDr. Vladimír Baumruk, DrSc. Supervisor's e-mail address: baumruk@karlov.mff.cuni.cz Abstract: Molecular flexibility can significantly modify Raman and ROA spectral intensities, band positions and the ROA signs. Taking into account dynamic aspects of behavior of studied molecules in solution via conformational averaging therefore seems to be crucial for spectral interpretation. The first of studied models, histidine, plays an important role in metallo-enzymatic reactions and peptide folding, due to its imidazole ring. ROA spectra of His at different pH, His complexed with Cu2+ and dipeptides His- Gly and Gly-His were recorded on the spectrometer built at the Institute of Physics of the Charles University as a first step of the subsequent study. The second studied system, a cyclic hexapeptide c-(Phe-D-Pro-Gly-Arg-Gly-Asp), serves as a convenient model for β- hairpin and anti-parallel β-sheet. It was previously studied by means of VCD and IR. From molecular dynamics simulations 10 peptide geometries were selected for spectral modeling. The Raman and ROA spectra were calculated ab initio. For a model fragment Phe-D-Pro, which...
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Mechanisms for operating system virtualization
Děcký, Martin ; Tůma, Petr (referee) ; Yaghob, Jakub (advisor)
Overview and taxonomy of the technologies used for virtualizing the execution of operating systems (running multiple operating systems or multiple separated operating system contexts simultaneously on a single computer), comparsion of the speed, security, determinism, level of isolation, accounting posibilities, supported platforms, level of hardware emulation, etc. Inherent problems of virtualization (platform dependency, SMP, virtual hardware). Emulation, simulation, virtual machines, paravirtualization, partitioning. Overview of commonly available virtualization products (Bochs, QEMU, Simics, VMware, Virtual PC, Virtual Server, OpenVZ, Denali, Mac on Linux, PearPC, Plex86, Xen, TRANGO, UML, Linux VServer, FreeBSD Jails, Solaris Zones) and their comparsion. Hardware assisted virtualization (Power Hypervisor, V86, Vanderpool, Paciffica) and their usage. Practical demonstration of soft-partitioning (parcelling of the operating system into separate kernel contexts) on SPARTAN kernel.
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Estimates based on the rank tests
Setíkovská, Jitka ; Hušková, Marie (referee) ; Jurečková, Jana (advisor)
The thesis deals with R-estimators, estimators based on ranks. They were originally proposed by Hodges and Lehmann [7] as inversions of the rank tests. Not only the definition used by Hodges and Lehmann, but also the one used in later literature is formulated. Basic characteristics of some rank statistics are described and the explicit forms of the corresponding R-estimators and confidence intervals are derived. Their basic properties as unbiasedness, translation equivariance, efficiency, robustness are studied. The behavior of R-estimators is then illustrated on simulated data and on several examples.
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Discontinuous Galerkin method for the solution of compressible viscous flow
Česenek, Jan
Title: Discontinuous Galerkin method for solving compressible viscous flow Author: Jan Česenek Department: Department of Numerical Mathematics Supervisor: prof. RNDr. Miloslav Feistauer, DrSc., dr.h.c., Department of Numerical Mathematics Abstract: The subject of this PhD thesis is the numerical simulation of the interaction of two-dimensional compressible viscous flow and a vibrating airfoil. We consider a solid airfoil with two degrees of freedom which can rotate around the elastic axis and oscillate in the vertical direction. The numerical simulation of this problem consist of the dis- continuous Galerkin finite element method solving Navier-Stokes equations coupled with a system of nonlinear ordinary differential equations describing the airfoil motion. The time-dependent domain is taken into account with the aid of the Arbitrary Lagrangian- Eulerian(ALE) formulation. Theoretical part of this paper is concerned with error esti- mates of the space-time discontinuous Galerkin method for scalar nonstationary equations with nonlinear convection and nonlinear diffusion. Keywords: convection-diffusion problems, discontinuous Galerkin method, interaction of a fluid with a vibrating airfoil, ALE method
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Physiological equivalent temperature as an indicator of the UHI effect with the city of Prague as an example
Zahradníček, Pavel ; Žák, M. ; Skalák, Petr
Description of an Urban Heat Island (UHI) using the difference in air temperature is one of the world's most studied characteristics. If, however, one wants to express how the temperature is perceived by humans, one must consider the overall effect of air temperature, wind speed, air humidity and radiation flows, which is expressed using temperature bioclimatological indexes. One of them is the socalled physiological equivalent temperature (PET), which is used for quantification of the overall effect of meteorological parameters combined with human energetic balance and which is perceived by humans. The RayMan (MATZARAKIS et al. 2007, 2010) microscale models in the city of Prague were used to simulate biometeorological conditions describing the effect on humans using PET.
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The evaluation of critical factors for the BTT method measurement
Maturkanič, Dušan ; Košina, Jan ; Hodboď, Robert
The report describes an analysis of critical factors occurred during the Blade Tip-Timing method measuring. These factors are represented by speed fluctuation of model turbine wheel and accuracy of sensors of the vibrodiagnostic system. This analysis is focused on evaluation and comparison of these items in different conditions. Subsequently, the results can be used for the simulations of vibration of turbine blades.
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