931 resultados para Essential-state models


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

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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Elemental composition and spectroscopic properties (FT-IR and CP/MAS C-13-NMR) of sedimentary humic substances (HS) from aquatic subtropical environments (a lake, an estuary and two marine sites) are investigated. Humic acids (HA) are relatively richer in nitrogen and in aliphatic chains than fulvic acids (FA) from the same sediments. Conversely, FA are richer in carboxylic groups and in ring polysaccharides than HA. Nitrogen is mostly present as amide groups and for lake and marine HS the FT-IR peaks around 1640 cm(-1) and 1540 cm(-1) identify polypeptides. Estuarine HS exhibit mixed continental-marine influences, these being highly influenced by site location. Overall, the data suggest that aquatic and mixed HS are more aliphatic than has been proposed in current models and also that amide linkages form an important part of their structural configuration.

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Structural characterization of enzymes that belong to microbial metabolic pathways is very important for structure-based drug design since some of these proteins may be present in the bacterial genome, but absent in humans. Thus, metabolic pathways became potential targets for drug design. The motivation of this work is the fact that Mycobacterium tuberculosis is the cause of the deaths of millions of people in the world, so that the structural characterization of protein targets to propose new drugs has become essential. DBMODELING is a relational database, created to highlight the importance of methods of molecular modeling applied to the Mycobacterium tuberculosis genome with the aim of proposing protein-ligand docking analysis. There are currently more than 300 models for proteins from Mycobacterium tuberculosis genome in the database. The database contains a detailed description of the reaction catalyzed by each enzyme and their atomic coordinates. Information about structures, a tool for animated gif image, a table with a specification of the metabolic pathway, modeled protein, inputs used in modeling, and analysis methods used in this project are available in the database for download. The search tool can be used for reseachers to find specific pathways or enzymes.

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

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Models with interacting dark energy can alleviate the cosmic coincidence problem by allowing dark matter and dark energy to evolve in a similar fashion. At a fundamental level, these models are specified by choosing a functional form for the scalar potential and for the interaction term. However, in order to compare to observational data it is usually more convenient to use parametrizations of the dark energy equation of state and the evolution of the dark matter energy density. Once the relevant parameters are fitted, it is important to obtain the shape of the fundamental functions. In this paper I show how to reconstruct the scalar potential and the scalar interaction with dark matter from general parametrizations. I give a few examples and show that it is possible for the effective equation of state for the scalar field to cross the phantom barrier when interactions are allowed. I analyze the uncertainties in the reconstructed potential arising from foreseen errors in the estimation of fit parameters and point out that a Yukawa-like linear interaction results from a simple parametrization of the coupling.

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A three-state target elastic positronium close-coupling approximation (CCA) is employed to investigate Ps-He scattering in the energy range 0-200 eV with and without electron exchange. Low-lying phase shifts below the first excitation threshold and the total integrated cross sections using both the models are reported. Estimation of integrated excitation cross sections for Ps(1s --> 2s) and Ps(1s --> 2p) using CCA are presented for the first time. The present total cross sections are in good agreement with the measured data in the incident Ps energy range 20-30 eV.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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

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The seasonality of Alphitobius diaperinus population was studied during different seasons during one year, in broiler facilities located in the center-north region of the State of São Paulo. Parasite counting was weekly carried out by the use of traps adapted from the modified model of Arends. During the experimental period, facilities were not submitted to chemical treatment, and the litter was changed between flocks. A lower number of adults and larvae was observed during autumn, with the peak registered in the summer. There was no significant difference between spring and winter averages (adults and larvae), and between spring and summer averages (adults). Average temperatures in the facilities varied from 23.4ºC (winter) to 27.1ºC (spring). The environmentally controlled systems used by the broiler industry provide an adequate habitat for A. diaperinus development. The continuous monitoring of the population of this parasite is essential for designing control strategies, and this can be accomplished by utilizing the traps used in the present experiment.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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