Bioinformática estrutural aplicada ao estudo de enzimas da via metabólica do ácido chiquímico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estrutura e propriedades de filmes finos ferroelétricos do sistema PZT

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Simulações por dinâmica molecular fine-e coarse-grained das interações intermoleculares entre peptídeos antimicrobianos da família Mastoparano e membranas modelo

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Estudo das propriedades ópticas, linear e não linear, e elétrica dos vidros da família Li2O-TeO2-WO3

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Exotic Bose-Einstein condensates: binary mixtures and dipolar gases

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Estudos estruturais com fosfolipases A2 isoladas de venenos de serpentes dos gêneros Bothrops e Crotalus

Pós-graduação em Ciências Biológicas (Genética) - IBB

Prediction of Oncogenic Interactions and Cancer-Related Signaling Networks Based on Network Topology

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Metodologia computacional baseada em DFT, para compreensão de processos eletródicos em fases intermetálicas ordenadas

Pós-graduação em Ciência e Tecnologia de Materiais - FC

Aplicação de métodos computacionais no estudo das fases intermetálicas ordenadas pt-sn

Fuel cells are a very promising solution to the problems of power generation and emission of pollutant to the environment, excellent to be used in stationary application and mobile application too. The high cost of production of these devices, mainly due to the use of noble metals as anode, is a major obstacle to massive production and deployment of this technology, however the use of intermetallic phases of platinum combined with other metals less noble has been evaluated as electrodes in order to minimize production costs and still being able to significantly improve the catalytic performance of the anode. The study of intermetallic phases, exclusively done by experimental techniques is not complete and demand that other methods need to be applied to a deeper understanding of the behavior geometric properties and the electronic structure of the material, to this end the use of computer simulation methods, which have proved appropriate for a broader understanding of the geometric and electronic properties of the materials involved, so far not so well understood.. The use of computational methods provides answers to explain the behavior of the materials and allows assessing whether the intermetallic may be a good electrode. In this research project was used the Quantum-ESPRESSO package, based on the DFT theory, which provides the self-consistent field calculations with great precision, calculations of the periodic systems interatomic force, and other post-processing calculations that points to a knowledge of the geometric and electronic properties of materials, which may be related to other properties of them, even the electrocatalytic. The electronic structure is determined from the optimized geometric structure of materials by analyzing the density of states (DOS) projected onto atomic orbital, which determines the influence of the electrocatalytic properties of the material... (Complete abstract click electronic access below)

Espectroscopia de infravermelho e suas aplicações

Infrared spectroscopy (IR spectroscopy) explores the infrared region of the electromagnetic spectrum. Like any other spectroscopic technique, it can be used to identify a compound or the composition of investigate a sample. Spectroscopy (IR) is a very important technique in qualitative chemical analysis, widely used in the chemistry of natural products, organic synthesis and transformations. In this work we study of the theoretical foundations of infrared spectroscopy, the different vibration modes, experimental techniques, and the identification and characterization of solids. Were studied as applications: their use in thermograph and remote sensing satellites

Efeito da adição de butanol na biodegradabilidade da gasolina e do óleo diesel

The increase in the oil price and the current trend of using renewable raw materials for the production of chemicals renew the interest in the production of biobutanol that, produced by fermentation of agricultural raw materials, can be used as a component of gasoline and diesel. With the commercialization of new fuels, environmental damages due to spills can occur. Among other techniques, the clean-up of these contaminated areas can be achieved with bioremediation, a technique based on the action of microorganisms, which has the advantage of turning hazardous contaminants into non toxic substances such as CO2, water and biomass. Thus, bearing in mind the use of biobutanol in the near future as a gasoline extender and due to the lack of knowledge of the effects of butanol on the biodegradation of gasoline, this work aimed to assess the aerobic biodegradation of butanol/gasoline blends and butanol/diesel (20% v/v), being the latter compared to the ethanol/gasoline blend and biodiesel/diesel (20% v/v), respectively. Two experimental techniques were employed, namely the respirometric method and the redox indicator 2,6-dichlorophenol indophenol (DCPIP) test. In the former, experiments simulating the contamination of natural environments were carried out in biometer flasks, used to measure the microbial CO2 production. The DCPIP test assessed the capability of four inocula to biodegrade the fuel blends. In butanol/gasoline experiments the addition of the alcohols to the gasoline resulted in positive synergic effects on the biodegradation of the fuels in soil and...(Complete abstract click electronic access below)

Sílica gel organofuncionalizada com 4-amino-5-(4-piridil) 4H-1,2,4-triazol-3-tiol (aptt): Propriedades adsortivas e eletroanalíticas

Pós-graduação em Ciência dos Materiais - FEIS

Modeling field load tests in lateritic unsaturated soil

Many models for unsaturated soil have been developed in the last years, accompanying the development of experimental techniques to deal with such soils. The benchmark of the models for unsaturated soil can be assigned to the Barcelona Basic Model (BBM) now incorporated in some codes such as the CODE_BRIGHT. Most of those models were validated considering limited laboratory test results and not much validation is available considering real field problems. This paper presents modeling results of field plate load tests performed under known suction on a lateritic unsaturated soil. The required input data were taken from laboratory tests performed under suction control. The modeling nicely reproduces field tests allowing appreciating the influence of soil suction on the stress-settlement curve. In addition, wetting induced or collapse settlements were calculated from field tests and were nicely duplicated by the numerical analysis performed.

Transcrição cooperativa de genes ribossomais em Escherichia coli usando um modelo estocástico e dependente de sequência

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Contribuição metodológica para o diagnóstico da dinâmica erosiva linear e seu prognóstico evolutivo visando subsidiar projetos de recuperação

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)