No description available.

This paper is a morphological structure-analysis of icelandic tales to determine their common and distinguishable components in relation to one another and to the russian folktale with Vladimir Propp’s book Morphology of the Folktale (1968) as theoretical basis. The paper looks at the Poetic Edda and Njals saga and the functions of the actions for each other and for the story as a whole. Although the icelandic tales shows great similarities with the russian folktale in general, it also shows deviations. The functions have sometimes appeared on inverted positions, and in a full third of the stories the evil has won over the good in a crucial struggle, but has in 90 % of these stories still been punished before the end. In seven of the thirty tales the story has ended with a foreboding of misfortune or lack. My conclusion is therefore that the icelandic tales indeed shows a common morphological structure, but also deviations in relation to Propps conclusions which could function as a basis of critique against his theory as well as a foundation for future research to improve his theory.

This study reports on the physical and optical characterization of scandium oxide thin films. Thin films of scandium oxide, 20-40 nm thick, were deposited on silicon wafers, quartz slides, and silicon photodiodes by reactively sputtering scandium in an oxygen environment. These samples were characterized using ellipsometry, high-resolution transmission electron microscopy, scanning transmission electron microscopy, and energy dispersive x-ray analysis. A 28.46 nm thick scandium oxide thin film was measured in the Extreme Ultraviolet (EUV) from 2.7 to 50 nm (459.3 to 24.8 eV) using synchrotron radiation at the Advanced Light Source Beamline 6.3.2 at the Lawrence Berkeley National Laboratory. In these measurements, a new method for data collection was used, in which the reflection and transmission data were collected simultaneously. Analysis of the EUV reflection and transmission data was performed using a front-side reflection, matrix-multiplication technique, which is novel among EUV analytical practice. During data analysis, a new weighting scheme was used, named "adaptive weighting". This analysis provides the first experimentally determined optical constants n and k for scandium oxide thin films from 4.5-30 nm. Also, the positions of the L2 and L3 electronic transitions of scandium oxide have been measured, at 3.069 and 3.101 nm (404.0 and 399.9 eV), respectively, while the measurements near the M transition suggest it to be at approximately 31.5 nm (39.4 eV). Comparing the electronic transition positions of scandium oxide to those of scandium show that the oxidation of scandium shifts the positions to lower energies. For L2 the shift is about 1.8 eV, for L3 the shift is about 1.4 eV, and for M the shift is about 1.9 eV. The binding energies of scandium oxide are greater than those of scandium, as is expected for an oxide compared to its parent metal. This trend in the shift of the transition positions is unexpected, and warrants further investigation.

Магистерская диссертация посвящена описанию группы слов с корнем добр- в словаре и речи. В работе выявляются теоретические основания интерпретации категории «добро» в гуманитарных исследованиях; описываются системно-языковые (парадигматические, синтагматические и эпидигматические) связи слов с корнем добр- в опоре на различные словари русского языка; на материале содержащих в своем составе слов с корнем добр- пословиц и поговорок, а также высказываний из Национального корпуса русского языка показана специфика функционирования и культурная значимость этих слов для носителей национально-культурного сообщества. Полученные результаты позволили выявить сегменты русской языковой картины мира, остающиеся константными, несмотря на социальные изменения в обществе, и сегменты, подвергающиеся трансформации. / Magister dissertation devoted to the description of a group of words with a root of good in the dictionary and speech. The work reveals the theoretical foundations of the theoretical interpretation jf the category of “good” in humanitarian studies; describes the system-linguistic (paradigmatic, syntagmatic and epigmatic) connections of words with a root of good based of varios dictionaries of the Russian language; based on the material, containing words with a root of good – proverbs and saying as well as statements of the National Corpus of the Russian language, the specific of functioning and cultural significance of these words for the speakers of national-cultural community are shown. The results obtained made it possible to identify segments of the Russian linguistic picture of the world, that remained constant, despite social changes in society and segments that are undergoing transformation.

In this thesis we derive various generalizations and refinements of some classical inequalities in different function spaces. We consider some of the most important inequalities namely the Hardy, Pólya-Knopp, Jensen, Minkowski and Beckenbach-Dresher inequalities. The main focus is put on the Hardy and their limit Pólya-Knopp inequalities. Indeed, we derive such inequalities even in a general Banach functionsetting. The thesis consists of three papers (A, B and C) and an introduction, which put these papers into a more general frame. This introduction has also independent interest since it shortly describe the dramatic more than 100 years of development of Hardy-type inequalities. It contains both well-known and very new ideas and results. In paper A we prove and discuss some new Hardy-type inequalities in Banach function space settings. In particular, such a result is proved and applied for a new general Hardy operator, which is introduced in this paper (this operator generalizes the usualHardy kernel operator). These results generalize and unify several classical Hardy-type inequalities. In paper B we prove some new refined Hardy-type inequalities again in Banach function space settings. The used (super quadraticity) technique is also illustrated by making refinements of some generalized forms of the Jensen, Minkowski and Beckenbach-Dresher inequalities. These results both generalize and unify several results of this type. In paper C for the case 0<p≤q<∞ we prove some new Pólya-Knopp inequalities in two and higher dimensions with good two-sided estimates of the sharp constants. By using this result and complementary ideas it is also proved a new multidimensional weighted Pólya-Knopp inequality with sharp constant. / In this thesis we derive various generalizations and refinements of some classical inequalities in different function spaces. We consider some of the most important inequalities namely the Hardy, Pólya-Knopp, Jensen, Minkowski and Beckenbach-Dresher inequalities. The main focus is put on the Hardy and their limit, Pólya-Knopp inequalities. Indeed, we derive such inequalities even in a general Banach function setting.  We prove and discuss some new Hardy-type inequalities in Banach function space settings. In particular, such a result is proved and applied for a new general Hardy operator. These results generalize and unify several classical Hardy-type inequalities. Next, we prove some new refined Hardy-type inequalities again in Banach function space settings. We used superquadraticity technique to prove refinements of some classical inequalities. Finally, for the case 0<p≤q<∞, we prove some new Pólya-Knopp inequalities in two and higher dimensions with good two-sided estimates of the sharp constants. By using this result and complementary ideas it is also proved a new multidimensional weighted Pólya-Knopp inequality with sharp constant.

No description available.

[pt] Um grande número de complexos de cobre(II) tendo como ligantes compostos biológicos têm sido utilizados como modelos para o entendimento das diversas reações que ocorrem in vivo. Diversas desordens neurodegenerativas são caracterizadas pela presença anormal de proteínas no sistema nervoso central que possuem uma alta afinidade pelo íon cobre(II). Essa coordenação do metal à proteínas favorece o processo de deposição e associado ocorre a produção em excesso de espécies reativas de oxigênio (ROS - reactive oxygen species). A metionina é um antioxidante presente no meio biológico que pode se ligar ao cobre e prevenir os danos oxidativos. No presente trabalho, estudamos em solução aquosa, os complexos binários Cu(II):L1 e Cu(II):L2 e o complexo ternário Cu(II):L1:L2 (L1 = GlyGly e L2 = Met) a 25 °C e μ = 0,1 mol L-1. As constantes de formação dos complexos foram calculadas utilizando o programa BEST7. Os modos de coordenação dos ligantes nos complexos de Cu(II) foram investigados por cálculos DFT utilizando o programa TURBOMOLE 6.1. Foi utilizado o funcional PBE empregando a aproximação da resolução da identidade (RI-J) e com o conjunto de bases def2-SVP. Os efeitos do solvente foram incluídos através do modelo de solvatação COSMO. Os resultados DFT mostraram comportamento bidentado da glicilglicina na espécie Cu(H-1GlyGly), sem a participação do oxigênio do grupo carboxílico na esfera de coordenação do metal. O modelo de cluster-contínuo foi utilizado para obter, para os complexos mais estáveis, as energias livres em fase gasosa e em solução aquosa através dos métodos DFT: B3LYP/def2/TZVP e PBE0/def2-TZVP. Para os complexos mais estáveis foi incluída a segunda camada de solvatação (36 moléculas de água) para verificar a interferência de moléculas explícitas do solvente nos cálculos. Os resultados mostraram comportamento monodentado do ligante glicilglicina no complexo [Cu(GlyGly)(H2O)36]+, sem a participação do oxigênio peptídico na esfera de coordenação do centro metálico. Observou-se que os clusters assumem diferentes geometrias: octaédrica ([Cu(Met)(H2O)36]+), pirâmide de base quadrada ([Cu(GlyGly)(H2O)36]+, [Cu(H-1GlyGly)(H2O)36], [Cu(Met)(OH)(H2O)36], [Cu(Met)(OH)2(H2O)36]-, [Cu(HGlyGly)(Met)(H2O)36], [Cu(GlyGly)(Met)(H2O)36]- e [Cu(GlyGly)(Met)(OH)(H2O)35]2-) e quadrado distorcido ([Cu(GlyGly)(OH)(H2O)35]-). Todos os clusters apresentaram uma configuração eletrônica do estado fundamental t6 2g d22 d1 x2-y2 o que concorda com a distorção Jahn-Teller. Nas doenças neurodegenerativas o pH fisiológico é levemente acidificado. Na espécie ternária [Cu(GlyGly)(Met)(H2O)36]-, que é formada em pH 7, o enxofre não faz parte da esfera de coordenação do cobre, indicando que ele pode exercer uma ação antioxidante em sistemas biológicos sob condições de estresse oxidativo. / [en] A great number of copper(II) complexes that have as ligands biological compounds have been used as models for the understanding of several reactions that occur in vivo. Several neurodegenerative disorders are characterized by the abnormal presence of proteins in the central nervous system that have a high affinity for the copper(II) ion. This coordination of metal to proteins favor the deposition process and associated the production in excess of reactive oxygen species (ROS) occurs. The methionine is an antioxidant present in the biological medium that could bind to copper and prevent the oxidative damages. In the present work we studied in aqueous solution the binary complexes Cu(II):L1 and Cu(II):L2 and the ternary complex Cu(II):L1:L2 (L1 = GlyGly and L2 = Met) at 25C and μ = 0.1 mol L-1. The binding constants of the complexes were determined using the BEST7 program. The coordination modes of the ligands in the Cu(II) complexes were investigated by DFT calculation using the TURBOMOLE 6.1 program. The PBE functional was used employing the resolution of identity approximation (RI-J) and with the def2-SVP basis set. The solvent effects were included through the COSMO solvation model. The DFT results showed bidentate behavior of the glycylglycine in the Cu(H-1GlyGly) species without the participation of the oxygen from the carboxylic group in the metal coordination sphere. The cluster-continuum model was used to obtain for the more stable complexes the free energies in gas phase and in the aqueous solution through DFT methods: B3LYP/def2/TZVP and PBE0/def2-TZVP. The second solvation shell (36 water molecules) was included in the more stable complexes to verify the interference of solvent explicit molecules in the calculation. The results showed monodentate behavior of the glycylglycine ligand in the complex [Cu(GlyGly)(H2O)36]+, without the participation of the peptidic oxygen in coordination sphere of metallic centre. It was observed that the clusters assume different geometries: octahedral ([Cu(Met)(H2O)36]+), square pyramid ([Cu(GlyGly)(H2O)36]+, [Cu(H-1GlyGly)(H2O)36], [Cu(Met)(OH)(H2O)36], [Cu(Met)(OH)2(H2O)36]-, [Cu(HGlyGly)(Met)(H2O)36], [Cu(GlyGly)(Met)(H2O)36]- and [Cu(GlyGly)(Met)(OH)(H2O)35]2-) and distorted square ([Cu(GlyGly)(OH)(H2O)35]-). All the clusters presented an electronic configuration of ground state t6 2g d22 d1 x2-y2 that agree with the Jahn-Teller distortion. In the neurodegenerative diseases the physiologic pH is slightly acidified. In the ternary species [Cu(GlyGly)(Met)(H2O)36]-, that is formed in pH 7, the sulfur is not part of the coordination sphere of copper, indicating that it could exert an antioxidant action in biological systems under oxidative stress conditions.

<p dir="ltr">Electronic structure calculations, specifically plane wave Density functional theory (DFT) in conjunction with data science resources on the nanoHUB platform, are a powerful tool for the study of materials at extreme conditions. nanoHUB’s resources for FAIR (Findable, Accessible, Interoperable and Reproducible) data and workflows accelerate research and sharing of results. With these combined resources we studied the high-pressure properties and stability of various ceramic materials, such as the polytypes of silicon carbides (SiC).</p><p dir="ltr">Silicon carbides are of interest for their exceptional mechanical strength, thermal stability and chemical resistance making them attractive for applications at extreme conditions. To understand the temperature- and pressure-induced phase transitions we studied the electronic structure, phonon dispersion and elastic constants of major synthesizable SiC polytypes as a function of pressure. In addition, we report on the elastic constants as a function of pressure for the main polymorphs. This DFT workflows are published online, not only enhances the reproducibility of findings, but can also accelerates the discovery and development of new material properties.</p>

Thesis (PhD)--Stellenbosch University, 2012. / ENGLISH ABSTRACT: In this dissertation a new type of electrical machine, a Radial Flux Air-Cored Permanent Magnet machine with a Double-sided Rotor and utilising concentrated, non-overlapping windings, is proposed. The concept of the Double-sided Rotor Radial Flux Air-Cored Permanent Magnet machine, or RFAPM machine for short, was derived from the Double-sided Rotor Axial Flux Air-Cored Permanent Magnet (AFAPM) machine. One of the problems that AFAPM machines experience, is the deflection of the rotor discs due to the strong magnetic pull of the permanent magnets, especially with double-sided rotor machines. The main advantage of a RFAPM machine over a AFAPM machine is that the rotor back-iron is cylindrically shaped instead of disk shaped. Due to the structural integrity of a cylinder, the attraction force between the two rotors does not come into play any more. The focus of this dissertation is on a thorough analytical analysis of the Double-Sided Rotor RFAPM machine. With the RFAPM being an air-cored machine, the feasibility to develop a linear, analytical model, to accurately predict the radial flux-density and hence the induced EMF in the stator windings, as well as the accurate calculation of the developed torque of the machine, needed to be investigated. The need for a thorough analytical examination of the Double-Sided Rotor RFAPM machine stemmed from the need to reduce the blind reliance on Finite Element Modelling (FEM) software to calculate the back-EMF and torque produced by these machines. Another problem experienced with the FEM software was to obtain accurate torque results. Excessive ripple torque oscillations were sometimes experienced which took a considerable amount of time to minimise with constant refinement to the meshing of the machine parts. Reduction in the mesh element size unfortunately also added to the simulation time. The requirement for an accurate analytical model of the RFAPM machine was also necessary in order to reduce the amount of time spent on successive FEM simulation to obtain the optimum pole arc width of the permanent magnet in order to minimise the harmonic content of the radial flux-density distribution in the the stator windings. In this dissertation, the use of single-layer and double-layer, non-overlapping, concentrated winding for the RFAPM machine is also investigated. It was decided to include a comparison of these two non-overlapping winding configurations with a “hypothetical” concentrated, overlapping winding configuration. This would allow us to gauge the effectiveness of using nonoverlapping winding with respect to the reduction in copper losses as well as in the reduction in copper volume. It would also allow us to investigate the extent of how much the developed torque is affected by using non-overlapping windings instead of overlapping windings. / AFRIKAANSE OPSOMMING: In hierdie proefskrif word ’n nuwe tipe elektriese masjien, ’n Radiale-vloed Lugkern Permanent Magneet Masjien met ’n dubbelkantige rotor en nie-oorvleuelende Windings voorgestel. Die konsep vir die Radiale-vloed Lugkern Permanent Magneet Masjien, of RVLPM vir kort, is afgelei vanaf die Dubbelkantige Rotor, Aksiale-vloed Lugkern (AVLPM) masjien. Een van die probleme wat met AVLPM masjiene ondervind word, is die defleksie van die rotorjukke as gevolg van die sterk aantrekkingskragte van die permanente magnete, veral in dubbelkantige rotor masjiene. Die hoof voordeel wat die RVLPM masjien inhou bo die AVLPM masjien, is die feit dat die RVLPM se rotorjukke silindries is in plaas van ronde skywe. As gevolg van die strukturele integriteit van ’n silinders, speel die aantrekkingskrag van die permanente magnete nie meer ’n rol nie. Die fokus van die proefskrif gaan oor die deeglike analitiese analise van die dubbelkantige RVLPM masjien. Weens die feit dat die RVLPM masjien ’n lugkern masjien is, is daar besluit om ondersoek in te stel na die moontlikheid om ’n lineêre, analitiese model vir die masjien op te stel waarmee die radiale-vloeddigtheid, teen-EMK asook die ontwikkelde draaimoment vir die masjien akkuraat bereken kan word. Die behoefde aan ’n akkurate analitiese model vir die dubbelkantige rotor RVLPM masjien is om die blinde vertroue te elimineer wat daar in Eindige-Element Modellering (EEM) sagteware gestel word om die teen-EMK en ontwikkelde draaimoment van die RVLPM masjien uit te werk. ’n Verdere probleem wat daar met EEM sagteware ondervind is, is die akkurate berekening van die ontwikkelde draaimoment. Oormatige rimpel draaimoment ossillasies is soms ondervind wat heelwat tyd geverg het om te minimeer, deur voortdurende verfyning van die EEM maas in die verskillende dele van die masjien. Soos die maas egter kleiner word, verleng dit die simulasie tyd van die EEM aansienlik. Nog ’n rede vir ’n akkurate analitiese model van die RVLPM masjien, is om vinnige metode te verkry om die optimale permanente magneet pool hoekwydte te verkry, wat die minste Totale Harmoniese Vervorming (THV) in die radiale-vloeddigtheidsdistribusie in die statorgebied sal veroorsaak, sonder om herhaaldelike EEM simulasies te loop. In die proefskrif word die gebruik van enkellaag en dubbellaag, nie- oorvleuelende, gekonsentreerde wikkelings vir die RVLPM masjien ook ondersoek. Daar is besluit om hierdie twee nie-oorvleuelende windingskonfigurasies met ’n “hipotetiese” gekonsentreerde, oorvleuelende windingskonfigurasie te vergelyk. Dit behoort ons in staat te stel om die doeltreffendheid van nie-oorvleuelende windings te bepaal, met betrekking tot die afname in koperverliese asook die afname in kopervolume. Verder sal dit ons in staat stel om ook mate waartoe die ontwikkelde draaimoment deur nie-oorvleuelende windings beïnvloed word, te ondersoek.

Les enzymes et leur diversité d’actions sont appréciées dans des domaines d’applications variés allant del’agroalimentaire à la thérapeutique. Ainsi, une attention toute particulière est portée à leur étude afin d’améliorer uneaction (contre le vieillissement de la peau, antivirale, anticancéreuse…) ou un procédé de synthèse. Ce projet derecherche s’inscrit dans une démarche de développement d’outils analytiques basés sur la spectrométrie de masse,permettant le suivi rapide et sensible d’interactions enzyme-ligand.Dans une première étude, l’approche TLC couplée à une détection par UV a été évaluée pour la déterminationde constantes enzymatiques de l’enzyme invertase. Cette approche couplée à un MALDI/TOF MS a permis d’identifierdes substrats spécifiques de l’invertase au sein d’extraits de plantes. Pour preuve de concept, l’interactioncellobiohydrolase II–ligand est présentée dans le cadre de l’identification d’inhibiteur par TLC-MALDI/TOF et TLCENALDIMS.En seconde étude, nos travaux ont porté sur la caractérisation directe de différentes enzymes kinases, puis auxsuivis des réactions de phosphorylation de nucléosides /tides endogènes. Ces études, basées sur des approches « offline» (Flow Injection Analysis, FIA) et « on-line » (Frontal Affinity Chromatography, FAC) couplées à unspectromètre de masse haute résolution, ont été réalisées au moyen de ces kinases libres et immobilisées. Dans le cadrede la recherche de nouveaux candidats médicamenteux antiviraux, le suivi d’une phosphorylation spécifique desmolécules de synthèse, au regard de souches humaine ou virale de kinase, a également été évalué par ces deuxméthodologies. / Enzymes are very appreciated and useful in various application fields from agri-business to therapeutic due to theirdiversity of actions. Therefore, their action mechanisms are widely studied in order to enhance an action (anti-aging ofskin, antiviral, antitumorous) or a synthesis process. This research project is part of the approach to propose analyticaltools based on mass spectrometry, allowing rapid and sensitive follow-up of enzyme-ligand interactions.In a first study, the Thin-Layer Chromatography (TLC) approach coupled with UV detection was evaluated forthe determination of invertase kinetic constants. This approach coupled with a MALDI / TOF-MS led to theidentification of invertase substrates in plant extracts. As a proof of concept, the cellobiohydrolase II - ligand interactionwas presented in the framework of the identification of inhibitor by TLC-MALDI / TOF and TLC-ENALDI MS.In the second study, our work aimed at developing a direct method for the determination of kinetic parametersof kinases and following-up the phosphorylation reactions of endogenous nucleosides / tides. These studies, based on“off-line” (Flow Injection Analysis, FIA) and “on-line” (Frontal Affinity Chromatography, FAC) approaches coupledwith a high-resolution mass spectrometer, were carried out using free and immobilized kinases. In the context of thesearch for new antiviral drug candidates, a specific phosphorylation of synthetic molecules regards to human or viralkinase was also evaluated by these both approaches.