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Proper folding of a protein to its native state is critical for the protein to be fully functional under biological conditions. Understanding protein folding and protein folding evolution within the same structural family are key to understand which processes assist or hinder protein folding and how to prevent misfolding. Tm0979 from Thermotoga maritima, Mth1491 from Methanobacterium thermoautotrophicum and YchN from Escherichia coli belong to the homologous superfamily of YchN-like proteins (SCOP and CATH: 3.40.1260.10). The structures of these proteins have been solved as part of structural proteomics projects, which consist of solving protein structures on a genome wide scale. In solution, Tm0979 forms a homodimer whereas Mth1491 folds as a trimer and YchN is a homohexamer. The structures of the individual monomeric subunits of these three proteins have high structural similarity, despite very low sequence similarity. The biological roles of these proteins are not yet well defined, but seem to be involved in catalysis of sulphur redox reactions. This thesis focuses on characterisation of the Tm0979 homodimer and the Mth1491 homotrimer, as well as the determination of the folding mechanisms of these two proteins. The folding mechanisms of the proteins are compared to each other and to the mechanisms of other dimeric and trimeric proteins. The evolution and basis of oligomeric structure within the YchN family are analyzed. Mutations of Tm0979 and Mth1491 are designed as a basis for future work to investigate processes responsible for switches in oligomeric protein quaternary.structure.

Proper folding of a protein to its native state is critical for the protein to be fully functional under biological conditions. Understanding protein folding and protein folding evolution within the same structural family are key to understand which processes assist or hinder protein folding and how to prevent misfolding. Tm0979 from Thermotoga maritima, Mth1491 from Methanobacterium thermoautotrophicum and YchN from Escherichia coli belong to the homologous superfamily of YchN-like proteins (SCOP and CATH: 3.40.1260.10). The structures of these proteins have been solved as part of structural proteomics projects, which consist of solving protein structures on a genome wide scale. In solution, Tm0979 forms a homodimer whereas Mth1491 folds as a trimer and YchN is a homohexamer. The structures of the individual monomeric subunits of these three proteins have high structural similarity, despite very low sequence similarity. The biological roles of these proteins are not yet well defined, but seem to be involved in catalysis of sulphur redox reactions. This thesis focuses on characterisation of the Tm0979 homodimer and the Mth1491 homotrimer, as well as the determination of the folding mechanisms of these two proteins. The folding mechanisms of the proteins are compared to each other and to the mechanisms of other dimeric and trimeric proteins. The evolution and basis of oligomeric structure within the YchN family are analyzed. Mutations of Tm0979 and Mth1491 are designed as a basis for future work to investigate processes responsible for switches in oligomeric protein quaternary.structure.

Abstract A vast majority of the studies devoted to Lithium manganese oxide deals with their electrochemical characteristics in lithium batteries. The main project of this study is to realize the structure evolution upon electrochemical cycling. The phase transformations under the charge and discharge testing are an interesting project. Nitrate or oxide precursor calcined at 800¢XC can produce single phase stoichiometric LiMn2O4. The hypo-stoichiometric compositions (xLi2O¡Ñ4MnO, x < 1) synthesized by Li-poor situation contain LiMn2O4 and Mn2O3. The hyper- stoichiometric compositions (xLi2O¡Ñ4MnO, x > 1) synthesized by Li-rich situation contain non-stoichiometric spinel LixMn2O4 (such as Li4Mn5O12 or Li2Mn4O9) and Li2MnO3. The lattice parameter of LiMn2O4 increases slightly with increase of the lithium content at x < 1 (0.823 ~ 0.824 nm), but decreases sharply for x = 1.0 ~ 1.8 (0.824 to 0.817 nm). Differential thermal analysis showed at temperature higher than 935&#x00BA;C, rocksalt phase (with tetragonal symmetry), Mn3O4 will be produced. Above 1045&#x00BA;C, the crystallite phases contain cubic LiMn2O3 spinel, tetragonal Mn3O4 and orthorhombic symmetry LiMnO2. After high temperature annealing (> 935&#x00BA;C), the residual phase is lithium-deficient structure, Mn3O4. Apparent facets with {111}, {011}, and {001} (and {113}) planes are usually observed. The LiMn2O4 crystallite appears to be a truncated cubo-octahedron. The lowest surface energy gsv for LiMn2O4 spinel is located at the {111} planes. Lamellae domain and twinned structure are usually observed in LiMn2O4 particles. The occurrence of domain boundary and twin plane are {111} mostly. Forbidden reflections {200}, {420} in the initial powder and 1/2{311} and 1/3{422} superlattice reflections occurred after charging and discharging test reveal LiMn2O4 structure is a violation of space group. [311]/[111] peak ratio in the XRD traces is increase after electrochemical cycling. Fraction of inverse phase increased upon electrochemical cycling. The results for structure evolution under charging and discharging test can be divided into two parts for reversible and irreversible. First, unit cell of cubic spinel contracted upon charging and returned to original after discharging. The lattice constant varies back and forth between 0.824 nm to 0.814 nm for cycle between 3.3 and 4.3 V. LiMn2O4 transits to Li4Mn5O12 and l-MnO2 after fully charging to 4.3 V, which then recovers to cubic spinel LixMnyO4 after discharging to 3.3 V. The structure variations in the cycle of changing and discharging are LiMn2O4 ¡V (Li4Mn5O12 + l-MnO2) ¡V LixMnyO4. And metastable circular or rectangle LiMn2O4 particles observed in the surface can be extracted and inserted Li+ ion upon charging and discharging test. This process is reversible. Second, (1) tetragonal, rhombohedral and triclinic distorted within cubic spinel particles; (2) nanoscale regions of highly disordered lattices observed; (3) amorphous film observed in the powder particle surface; (4) crystalline phase Mn2O3 increased; (5) structure collapse inside the particle and the domain boundary; (6) inverse spinel structure. The structure of LixMn2O4 had distorted upon electrochemical cycling. These results are irreversible.

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>Magister Scientiae - MSc / Measuring the evolution of the abundance of galaxy clusters puts constraints on cosmological parameters like the cosmological density parameter m, σ8 and the dark energy equation of state parameter, w. Current observations that promise to give large cluster counts and their properties are those that rely on the Sunyaev-Zeldovich effect (SZE) from clusters. We study the contamination of the SZ signals from galaxy clusters by cluster infrared (IR) galaxies and particularly faint IR galaxies. We use the Millennium simulation database to extract galaxy clusters and deduce contaminant IR fluxes using the star formation rate - IR luminosity relations. We use the IR spectral energy distribution(SED) to obtain the monochromatic fluxes at 145 GHz, 217 GHz and 265 GHz, which are the observation frequencies of the Atacama Cosmology Telescope (ACT). Taking ACT as a case study, we selected all clusters with Mvir ≥ 2 × 1014 M⊙, and consider all galaxies in a cluster with star formation rate sfr ≥ 0.2 M⊙yr−1 as IR galaxies. From the fluxes of these selected sources, we compute their contribution to the SZE temperature fluctuations.We find that the galaxies in clusters have a non-neglible contribution to the SZ signals.In massive and rich clusters the contribution can be as high as 100 μK at z = 0.36,which is substantial when compared to the thermal SZE of & 270μK for such clusters.This effect can be reduced significantly if proper modelling of IR sources is done to pick out the point sources within clusters. We also find that irrespective of the mass range,the average contaminant temperature fluctuation T can be modelled as a power-law: T = Czm, where z is the redshift, m = 1.8 ± 0.07 and C takes on a range of values(0.008 to 0.9) depending on the cluster mass and the observation frequency respectively.We also study some properties of simulated galaxy clusters like substructures in clusters,2D projected distributions and number density profiles, which are all discussed in the results.

This work introduces a brief summary of softcomputing and the solutions to NP-hard problems. It especially deals with evolution algorithms and their basic types. The next part involves the study of cartesian genetic programming, which belongs to the field of evolution algorithms, used mainly in the evolution of digital circuits, symbolic regression, etc. A special chapter is devoted to the studies of new technique Age layered population structure, which deals with the problems of premature convergence, which suggests the way of how the population could be divided into subpopulations split up according to the age criteria. Thanks to the maintaining of sufficient diversity, it achieves substantially better solutions in comparison to the classical evolution algorithms. This papier includes the suggestion of two ways of incorporation of the ALPS technique into CGP. In the next part of work there were carried out tests on the classic problems, that would be solved with evolution algorithms. These tests were made with and without using ALPS technique. In the part of work "Experimental results" there was discussed a contribution of using ALPS technique in CGP against the classic CGP.

Les modèles semi-analytiques (SAMs) constituent aujourd'hui le meilleur outils d'analyse et d'étude pour la formation et l'évolution des galaxies individuels mais également des regroupements de galaxies appelés amas. Alors qu'ils reproduisent avec succès les fonctions de masse stellaire, de corrélation à deux points, de luminosité des galaxies locales (z=0), ils échouent dans les prédictions des propriétés des galaxies plus jeunes, à plus haut décalage vers le rouge. Et ce d'autant plus que la masse stellaire est faible. Ces inconsistances entre les modèles et les observations démontrent que l'histoire de l'assemblage des ces galaxies, en relation avec l'accrétion de gaz, la formation stellaire et leurs halos de matière noire n'est pas bien comprise. Dans cette thèse, nous introduisons une nouvelle version du modèle semi-analytique GalICS et nous l'utilisons pour explorer l'impact, sur la formation stellaire des galaxies à faible masse, de la rétroaction des supernovae et des trous noirs supermassifs ainsi que des processus de photo-ionisation. Ces deux mécanismes sont communément utilisés pour réduire la formation de nouvelles étoiles dans les galaxies peu massives. Nous montrons que, même appliqué avec de très fortes efficacités, ces deux processus ne peuvent pas expliquer simultanément les fonctions de masse, de luminosité et la relation entre masse stellaire et masse des halos de matière noire pour les galaxies évoluant à grand décalage spectral. Suite à ce constat, nous introduisons deux recettes ad-hoc pour la formation stellaire. Dans un premier temps nous appliquons une forte modification de l'efficacité de formation stellaire en relation directe avec la masse de matière noire de leur halo hôte. Cette première approche conduit à de bons résultats, en particulier dans le régime des faibles masses stellaires mais il présente, par construction un profond désaccord avec la loi de formation stellaire observées par Kennicutt. Pour cela, nous introduisons une seconde modification, plus profonde, basée sur l'existence d'une composante de gaz, évoluant en périphérie des premiers disques galactiques, mais ne pouvant pas, pour des raisons encore mal comprises, former de nouvelles générations d'étoiles. Progressivement, ce gaz impropre à la formation stellaire est convertit, il alimente alors la formation d'étoile. L'introduction de ce nouveau réservoir, introduit un délai entre le moment ou le gaz s'effondre au centre du halo et le moment ou ce gaz. Ce nouveau modèle donne de très bons résultats mais il pose la question de l'origine de ce gaz impropre à la formation stellaire. Nous abordons dans cette thèse quelques piste de recherche dans le cadre de la formation des grandes structures peuplant notre Univers. / Semi-analytical models (SAMs) are currently the best way to understand the formation of galaxies and clusters within the cosmic web dark-matter structures. While they fairly well reproduce the local stellar mass function, correlation function and luminosity function, they fail to match observations at high redshift (z>3) in most cases, particularly in the low-mass range. The inconsistency between models and observations indicates that the history of gas accretion in galaxies, within their host dark-matter halo, and the transformation of gas into stars, is not well followed. In this thesis, we introduce a new version of the GalICS model and we use it to explore the impact, on the star formation and in the low-mass range, of supernovae feedback and photo-ionization. These two mechanisms are commonly used to limit the amount of gas available to form stars.We will show that, even with a strong efficiency, these two process cannot explain the observed stellar mass function, luminosity functions, and the stellar mass versus dark matter halo mass relation. We will thus introduce two ad-hoc modifications of the standard paradigm. We propose first a strong modification of the star formation efficiency as a function of the dark matter halo mass. This model produces good results, especially on the faint end of the stellar mass function, but is, by construction, in disagreement with the well known Kennicutt star formation law. We will thus introduce a deeper change, based on a no star-forming gas component, and a new gas distribution in the galaxy discs. The reservoir in which stays the no star-forming gas generates a delay between the gas accretion and star formation. This model is in very good agreement with a large set of observations. However, it poses the question of the origin of the no star-forming gas. We will discuss its origin in the framework of the large scale disturbed dynamic of high-redshift structures.

It can be difficult for a sovereign debt manager to see the implications on expected costs and risk of a specific debt management strategy, a simulation model can therefore be a valuable tool. This study investigates how future economic data such as yield curves, foreign exchange rates and CPI can be simulated and how a portfolio optimization model can be used for a sovereign debt office that mainly uses financial derivatives to alter its strategy. The programming language R is used to develop a bespoke software for the Swedish National Debt Office, however, the method that is used can be useful for any debt manager. The model performs well when calculating risk implications of different strategies but debt managers that use this software to find optimal strategies must understand the model's limitations in calculating expected costs. The part of the code that simulates economic data is developed as a separate module and can thus be used for other studies, key parts of the code are available in the appendix of this paper. Foreign currency exposure is the factor that had the largest effect on both expected cost and risk, moreover, the model does not find any cost advantage of issuing inflation-protected debt. The opinions expressed in this thesis are the sole responsibility of the author and should not be interpreted as reflecting the views of the Swedish National Debt Office. / Det kan vara svårt för en statsskuldsförvaltare att se påverkan på förväntade kostnader och risk när en skuldförvaltningsstrategi väljs, en simuleringsmodell kan därför vara ett värdefullt verktyg. Den här studien undersöker hur framtida ekonomiska data som räntekurvor, växelkurser ock KPI kan simuleras och hur en portföljoptimeringsmodell kan användas av ett skuldkontor som främst använder finansiella derivat för att ändra sin strategi. Programmeringsspråket R används för att utveckla en specifik mjukvara åt Riksgälden, men metoden som används kan vara användbar för andra skuldförvaltare. Modellen fungerar väl när den beräknar risk i olika portföljer men skuldförvaltare som använder modellen för att hitta optimala strategier måste förstå modellens begränsningar i att beräkna förväntade kostnader. Delen av koden som simulerar ekonomiska data utvecklas som en separat modul och kan därför användas för andra studier, de viktigaste delarna av koden finns som en bilaga till den här rapporten. Valutaexponering är den faktor som hade störst påverkan på både förväntade kostnader och risk och modellen hittar ingen kostnadsfördel med att ge ut inflationsskyddade lån. Åsikterna som uttrycks i den här uppsatsen är författarens egna ansvar och ska inte tolkas som att de reflekterar Riksgäldens syn.

Isotactic polypropylene (iPP), as one of the most versatile commodity thermoplastic polymers, is a polymorphic material having several crystal modifications, among which the β-form exhibits higher performance including excellent impact strength and improved elongation at break.Up to now, the effective and convenient way to prepare the iPP with high content of β-phase has been successfully achieved by addition of certain β-nucleating agent. Since the coexistence of β-nucleating agent and flow (shear flow, extensional flow or mixed), which usually exists in common industrial processing, makes the crystallization process more complex, their combined effect on the structure evolution of polymers, especially in the early stage of crystallization is still not well understood. The mechanical properties of iPP depend strongly on its crystallinity, crystal orientation and morphology determined by the conditions during preparation. On the other hand, the mechanical properties of polymers can also be modulated by deformation processing, which is directly related to the deformation-induced structure transition. However, the transition mechanism of different crystal forms and structure-property correlation still remain unclear. In this thesis, time-resolved synchrotron X-ray scattering was firstly used for the in-situ study of the structural and morphological developments of β-nucleated iPP during shear-induced crystallization. It was found that the crystallization process was strongly influenced by the concentration of β-nucleating agent, shear rate and shear temperature. Then extension-induced crystallization was investigated by a novel melt draw experiment, where a different crystallization mechanism compared to the shear-induced crystallization was found. Subsequently, β-nucleated iPP samples with different thermomechanical histories were scanned by synchrotron X-ray microbeam to construct their overall morphological distributions, including distributions of crystallinity, lamellar thickness, orientation, etc. Finally, these morphology-identified samples were investigated by in-situ synchrotron X-ray measurements coupled with mechanical testing to follow the structure evolution during deformation at elevated temperature. It was found that the deformation behaviour of β-nucleated iPP was closely associated with its initial morphology, its subsequent variation during stretching as well as the stretching conditions including the stretching rate and stretching temperature. The current study would not only contribute to the development of crystallization and deformation theory but also be beneficial for the material design.