Made available in DSpace on 2016-08-18T18:19:29Z (GMT). No. of bitstreams: 1 Samir Silva.pdf: 2648726 bytes, checksum: c089ee5506a5e19afed5dafba9cbc09f (MD5) Previous issue date: 2007-08-21 / In this work were studied the electronic, vibrations and structural properties of boron nitride nanotube bundles (16,0), (12,0) and (8,0), when submitted to the hydrostatic pressure changes. To study such properties, we used the ab initio method employing density functional theory in the approach of the generalized gradient approximation. All the simulations were performed using of the siesta code. The obtained results showed that the circular cross section of each one of the studied bundles undergoes a deformation (elliptic) when applied pressure reaches the value of P > 1,0 GPa for the bundle (16,0), P > 2,0 GPa for the bundle (12,0) and for values greater then 6,5 GPa for the bundle (8,0). For each pressure interval it was calculated the percent relative volume, cohesive energy, modes of vibrations and the band structures. The analysis of the electronic properties, through the band structures, indicates that the characteristics semiconducting of boron nitride nanotubes is preserved during the pressure increasing. / Neste trabalho foram estudadas as propriedades eletrõnicas, vibracionais e estruturais de bundles de nanotubos de nitreto de boro (16,0), (12,0) e (8,0) submetidos à variação de pressão hidrostástica. Para estudar tais propriedades, utilizamos o método ab initio com uso da teoria do funcional da densidade na aproximação do gradiente generalizado. Todas simulações foram realizadas com a utilização do código siesta. Com os resultados encontrados foi observado que a seção transversal circular de cada um dos bundles estudados sofre uma deformação (elíptica) quando a pressão aplicada atinge o valor de P > 1,0 GPa para o bundles (16,0), P > 2,0 GPa para o bundles (12,0) e P > 6,5 GPa para os bundles (8,0). Para cada intervalo de pressão aplicada calculamos o percentual do volume relativo, energia coesiva, modos vibracionais e a estrutura de bandas. A análise das propriedades eletrônicas, através da estrutura de bandas, indica que as características semicondutoras dos nanotubos de nitreto de boro são preservadas durante o aumento da pressão.

Orientadores: Carlos Francisco Sampaio Bonafé, Claudio Chrysostomo Werneck / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Biologia / Made available in DSpace on 2018-08-19T01:47:53Z (GMT). No. of bitstreams: 1 Norberto_DouglasRicardo_D.pdf: 1634322 bytes, checksum: 288f08df151602db46da98bf9d58476f (MD5) Previous issue date: 2011 / Resumo: Ureia desnatura proteínas em diferentes concentrações, dependendo das condições experimentais e da proteína. A proteína monomérica soro albumina bovina (BSA) foi o principal modelo de investigação na presença de concentrações subdesnaturantes de ureia com base no modelo de equilíbrio de dois estados. A desnaturação induzida por alta pressão foi intensificada em concentrações de ureia ( [U] ) entre 3,5 M e 8,0 M, com variação de energia livre à pressão atmosférica (?Gº[U]) de +5,0 a -2,5 kJ/mol de BSA, e variação do volume de desnaturação (?V) de -30 a -36 mL/mol de BSA. Os parâmetros m apresentaram caráter bifásico, com valores de m1 e m2 de 0,92 e 2,35 kJ.mol-1.M-1, respectivamente. A partir de gráficos da variação de com relação à foram obtidos valores de , o coeficiente estequiométrico aparente do agente desnaturante, de 1,68 e 6,67 mol de ureia/mol de BSA, respectivamente v1 e v2, correspondentes à m1 e m2. Estes resultados foram comparados com os de outras proteínas monoméricas da literatura e com um conjunto de dados da SNase ?+PHS I92A e estequiometrias sistematicamente baixas foram observadas. No entanto, um valor de 140 mols de ureia/mol de BSA pode ser alcançado a partir de abordagem que considera a existência de uma população heterogênea com respeito a energia livre de desnaturação e aspectos moleculares da interação proteína-solvente puderam ser melhor interpretados / Abstract: Urea denatures proteins at different concentrations, depending on the experimental conditions and the protein. We investigated the pressure-induced denaturation of bovine serum albumin (BSA) as a model in the presence of subdenaturing concentrations of urea based on a two-state equilibrium model. Pressure-induced denaturation was enhanced at urea concentrations ([U]) of 3.5 M to 8.0 M, with the free energy of denaturation at atmospheric pressure (?Gº[U]) ranging from +5.0 to -2.5 kJ/mol of BSA while the volume change ranged from -30 to -36 mL/mol of BSA. The m values appeared to be biphasic, with m1 and m2 of 0.92 and 2.35 kJ.mol-1.M-1, respectively. Plots of ?Gº[U] versu ln[U] yielded values of v , the apparent stoichiometric coefficient, of 1.68 and 6.67 mol of urea/mol of BSA respectively for m1 and m2. These results were compared with the m and values of other monomeric proteins reported from the literature and of SNase ?+PHS I92A and the very low values of were systematically observed. However, a value of 140 moles of urea/mole of BSA could be reached by considering the existence of a heterogeneous molecular population with respect to the free energy of denaturation and the molecular binding aspects could be better interpreted / Doutorado / Bioquimica / Doutor em Biologia Funcional e Molecular

In this thesis we test and expand our current knowledge of Star Formation Laws (SF laws) in the extreme environment of dwarf irregular galaxies. We focus on the SF characteristics of our 18 galaxies sample, extending current investigations of the Schmidt-Kennicutt law to the low luminosity, low metallicity regime. The Hi data used in this project have been observed, calibrated and imaged according to the LITTLE THINGS Survey prescription to which I brought my own contribution as a member of the team. Apart from high resolution, VLA data in B, C and D array configurations, this project makes use of an extensive set of multi- wavelength data (H , FUV, 24 m, 3.6 m, V-band and K-band). Molecular gas in dwarfs is very difficult to observe, mainly because due to the low metallicity environment, we lose our only molecular tracer, the CO which becomes under luminous. Therefore the gas distribution is represented by Hi gas only. We create our Star Formation Rate (SFR) maps mainly based on FUV maps because our analysis shows that FUV is the SF tracer that allows us the most extensive sampling of the SFR surface density (SFRD) and Hi surface density relation. The main results of our study are: Whereas in spiral galaxies Bigiel et al. (2008) have found a one to one relation between star formation rate and molecular gas and no relation between the SFR and the neutral gas, in a small sample of dwarfs as well as in the outskirts of spiral galaxies Bigiel et al. (2010b) has found that SFRD does correlate with Hi surface density. We confirm the existence of the SFRD vs. Hi surface density relation in dwarf irregular galaxies and a linear fitting through all our data (all 18 galaxies combined) yields a power law relation ΣSFR ∝ Σ1.87±0.3/HI . We find that the interiors of Hi shells, at 400 pc scales, become resolved and show up in SFRD versus Hi surface density plots although within the shell interior we have SFRD values but no Hi surface density related to them. Thus, the points originating from those regions contribute significantly to the increase of the scatter in the plot. We show that by excluding those points the correlation between SFRD and Hi surface density improves between 10% and 20%. Eight of the 18 galaxies in our sample have Hi maxima higher than the 10M pc-2 value found by Bigiel et al. (2008) for spiral galaxies. Krumholz et al. (2011) predicted that the 10M pc-2 threshold is metallicity dependent in galaxies with sub-solar metallicity, however the theoretically predicted values for our galaxies only match the observed Hi maxima in one case (DDO168). We find that metallicity cannot be the only factor setting the Hi to H2 transition. In fact, we find evidence that the higher the interstellar radiation field (ISRF), the higher the Hi maximum is, hence we suggest that the ISRF should also be taken into consideration in predicting the Hi to H2 transition threshold. We find that even tighter than the SFRD vs. Hi surface density relation is the SFRD vs. V-band surface density relation. Unlike the SFRD vs. Hi surface density relation the SFRD vs. V-band surface density relation follows a power law and can be written as follows: ΣSFR ∝ (10^μv)^-0.43±0.03. The SFRD vs. V-band surface density relation suggests that the existing stars also play a role in the formation of the next generation of stars. Within our sample of dwarf galaxies the average pressure per resolution element and the SFRD are in a 1:1 linear relation: ΣSFR ∝ P_h^1.02±0.05. A similar relation has been found by Blitz & Rosolowsky (2006) for the low-pressure regimes of spiral galaxies. In conclusion we find that in the extreme environments of dwarf galaxies the metal deficiency and the lack of the classic SF stimulators (spiral arms, shear motions) do not impede the star forming process. In these galaxies, dust-shielding becomes predominantly self-shielding and there is plenty of Hi available to achieve this additional task. Existing stars assume the role of pressure enhancers, which in turn will stimulate SF without the need of spiral arms or shear motion.

La bioluminescence est l’émission de lumière par des organismes vivants. En milieu bathypélagique, où l’absence de lumière est une caractéristique majeure, ce phénomène semble avoir un rôle écologique primordial dans les interactions biologiques ainsi que dans le cycle du carbone. Ce travail cherche à déterminer si la bioluminescence peut être définie comme un proxy de l’activité biologique en milieu profond. Cette étude multidisciplinaire développe à la fois une approche in situ et en laboratoire. Le télescope ANTARES, immergé en Méditerranée, à 2475 m de profondeur, a joué le rôle d’un observatoire océanographique enregistrant la bioluminescence ainsi que les variables environnementales à haute fréquence. L’analyse de ces séries temporelles, non-linéaires et non-stationnaires a permis de mettre en évidence deux périodes de forte activité de bioluminescence en 2009 et 2010. Ces évènements ont été expliqués par des phénomènes de convection dans le Golfe du Lion, impactant indirectement la bioluminescence enre- gistrée sur ANTARES. En laboratoire, la bioluminescence bactérienne a été décrite sur une souche modèle piezophile, isolée au cours d’un évènement de forte bioluminescence. La pression hydrostatique liée à la profondeur in situ (22 MPa) induit une plus forte bioluminescence qu’à pression atmosphérique (0.1 MPa). Enfin, le suivi des communautés procaryotiques profondes a été réalisé, sur le site ANTARES, au cours de l’année 2011. Ce suivi a montré la présence de 0.1 à 1% de bactéries bioluminescentes dans une période enregistrant une faible activité de bioluminescence. Ces cellules ont été définies comme majoritairement actives. / Bioluminescence is the emission of light by living organisms. In the bathypelagic waters, where darkness is one of the main characteristic, this phenomenon seems to play a major role for biological interactions and in the carbon cycle. This work aims to determine if bioluminescence can be considered as a proxy of biological activity in the deep sea. This multidisciplinary study develops both in situ and laboratory approaches. The ANTARES telescope immersed in the Mediterranean Sea at 2,475 m depth has been used as an oceanographic observatory recording bioluminescence as well as environmen- tal variables at high frequency. This time series analysis, defined as non linear and non stationary, highlighted two periods of high bioluminescence intensity in 2009 and 2010. These events have been explained by convection phenomena in the Gulf of Lion, indi- rectly impacting the bioluminescence sampled at this station. In the laboratory, bacterial bioluminescence has been described using a piezophilic bacterial model isolated during a high-bioluminescence-intensity event. Hydrostatic pressure linked to the in situ depth (22 MPa) induces a higher bioluminescence activity than under atmospheric pressure (0.1 MPa). Then, the survey of the deep prokaryotic communities has been done at the AN- TARES station, over the year 2011. This survey shows the presence of about 0.1 to 1% of bioluminescent bacteria even during a low-bioluminescence-activity period. These cells were mainly actives.

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The aviation industry plays a significant role in global connectivity and economic growthbut has substantial negative environmental impacts, particularly in terms of carbondioxide emissions. According to a study by the European parliament, the aviationindustry accounts for 0,4 % of greenhouse gas emissions within the EU and 3,4% forinternational flights. In response to these environmental issues, liquid hydrogen is seenas a promising choice, offering efficiency as a clean energy source, especially whenproduced through electrolysis, as well as higher energy density per volume, making itattractive for the aviation industry where energy and weight optimization are crucial. However, the challenge of using hydrogen as fuel lies in designing a tank that canwithstand extreme conditions, such as low temperature and high pressure , while alsominimizing the risk of flammability and explosion. Additionally the right materials mustbe chosen to resist hydrogen embrittlement. This project aims to design a hydrogentank for aircraft that meets the requirements specified in this study. This will be achievedthrough a literature review, numerical simulations with SolidWorks FEM to test differenttank shapes and materials, and the use of Python code to calculate different spatialparameters.The results indicate that a cylindrical shape is the most optimal choice for the tank, andfour materials have been identified as suitable, with aluminum alloys showing moreadvantages compared to stainless steel due to reduced weight with similar strength.

In vitro tissue engineering is a method for developing living and functional tissues external to the body, often within a device called a bioreactor to control the chemical and mechanical environment. However, the quality of bone tissue engineered products is currently inadequate for clinical use as the implant cannot bear weight. In an effort to improve the quality of the construct, hydrostatic pressure, the pressure in a fluid at equilibrium that is required to balance the force exerted by the weight of the fluid above, has been investigated as a mechanical stimulus for promoting extracellular matrix deposition and mineralisation within bone tissue. Thus far, little research has been performed into understanding the response of bone tissue cells to mechanical stimulation. In this thesis we investigate an in vitro bone tissue engineering experimental setup, whereby human mesenchymal stem cells are seeded within a collagen gel and cultured in a hydrostatic pressure bioreactor. In collaboration with experimentalists a suite of mathematical models of increasing complexity is developed and appropriate numerical methods are used to simulate these models. Each of the models investigates different aspects of the experimental setup, from focusing on global quantities of interest through to investigating their detailed local spatial distribution. The aim of this work is to increase understanding of the underlying physical processes which drive the growth and development of the construct, and identify which factors contribute to the highly heterogeneous spatial distribution of the mineralised extracellular matrix seen experimentally. The first model considered is a purely temporal model, where the evolution of cells, solid substrate, which accounts for the initial collagen scaffold and deposited extracellular matrix along with attendant mineralisation, and fluid in response to the applied pressure are examined. We demonstrate that including the history of the mechanical loading of cells is important in determining the quantity of deposited substrate. The second and third models extend this non-spatial model, and examine biochemically and biomechanically-induced spatial patterning separately. The first of these spatial models demonstrates that nutrient diffusion along with nutrient-dependent mass transfer terms qualitatively reproduces the heterogeneous spatial effects seen experimentally. The second multiphase model is used to investigate whether the magnitude of the shear stresses generated by fluid flow, can qualitatively explain the heterogeneous mineralisation seen in the experiments. Numerical simulations reveal that the spatial distribution of the fluid shear stress magnitude is highly heterogeneous, which could be related to the spatial heterogeneity in the mineralisation seen experimentally.

Immunogenic cell death (ICD) is characterized by presence of specific molecules including surface exposed calreticulin (CRT) and the heat shock proteins HSP70 and HSP90. Release of ATP and high- mobility group box protein 1 (HMGB1) belongs to other typical characteristics. For induction of ICD in lung cancer cells high-hydrostatic pressure (HHP) was used. Treatment by HHP induces expression of immunogenic markers CRT, HSP70 and HSP90 on the cell surface. HHP also induces secretion of ATP to the extracellular milieu. Dendritic cells (DC) pulsed with HHP-treated tumor cells showed fenotypic maturation characterized by upregulation of maturation molecule CD83, costimulation molecules CD80 and CD86, chemokine receptor CCR7 and MHC class II molecule HLA-DR. Pulsed DCs have also higher rate of phagocytosis of HHP-treated tumor cells and they induce lower numbers of regulatory T cells compared to immature DCs. Moreover, activation of caspases (-8, -9, -3) and other proteins (phosphorylation of eIF2α) which are crucial in ER-stress mediated apoptotic pathway, was observed after HHP treatment. Using wide range of methods it was confirmed that HHP treatment is able to induce ICD in lung cancer cell lines, fenotypic and functional characteristics were described and the decreased induction of regulatory T-lymphocytes...