955 resultados para Physical and theoretical chemistry


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Habitat heterogeneity and use of physical and acoustic space in anuran communities in Southeastern Brazil. We intended to verify if structural and physiognomical characteristics of water bodies influence on the degree of overlap among calling sites of 23 anurans species, if anuran species use different calling sites in different water bodies, and if there is some relationship between the degree of advertisement call (based on seven call features) and calling site differentiation. Then, we determined calling sites (based in four variables) and recorded the advertisement call for anuran species that occurred in 10 water bodies of northwestern São Paulo State. We also determined the environmental heterogeneity (based in four environmental descriptors) for each water body. Males of most species used similar calling sites in each water body, probably because of the high uniformity of the environment, as a consequence of agricultural impacts on edge vegetation of the studied ponds. Most species (18 out of 19 species) called from different sites in the ponds where they occurred, which can be associated with differences in horizontal and vertical distribution of vegetation in the studied ponds. From the 19 species analyzed, only males of Pseudopaludicola aff. saltica called in sites with the same characteristics in different ponds. Advertisement call of Hylidae species was more similar to each other than were Leiuperidae and Leptodactylidae among themselves. The aquatic/terrestrial anurans (Bufonidae, Leiuperidae, Leptodactylidae and Microhylidae) occupied similar calling sites but presented quite distinct advertisement calls, while Hylidae species presented an inverse pattern: a high similarity on advertisement call features but used different calling sites, which indicates a niche complementarity between physical (calling site use) and acoustic (advertisement call) space use. © 2008 Departamento de Ciências Biológicas.

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Bibliografía sobre desarrollo de las áreas costeras, planificación del medio ambiente, recursos marinos, planificación regional y física, y puertos del Caribe.

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Includes bibliography

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Hydrogen oxidation on the surfaces of the intermetallic compounds Pt 3Sn, PtSn and PtSn2 has been studied by the rotating disc electrode technique. Pt3Sn and PtSn were found to be good catalysts, about as good as Pt, while PtSn2 was inactive over the investigated range of potentials. Underpotential deposition of hydrogen is observed only on Pt3Sn. These results are explained by theoretical calculations based on a theory developed within our own group, and by density functional theory. © 2012 Elsevier B.V.

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Synopsis: Objectives: In this research, an experimental and theoretical study was conducted to design a photodegradation mechanism of the amino acid tryptophan (Trp) in hair fibres. Methods: For the experimental research, Caucasian hair fibres were exposed to several different solar radiation simulation periods. Then, Trp and its photoproducts (N-formylkynurenine and kynurenine) were assayed by excitation and emission spectroscopic analysis. Results: For the theoretical study, reactions involved in the photodegradation of Trp were evaluated by high-level quantum mechanical calculations in a density functional theory (DFT) framework which indicate a probable Trp degradation mechanism with a minimum expended energy pathway. Conclusion: The biochemistry concerning these reactions is essentially important for a biological system where the degradation of Trp occurs. © 2013 John Wiley & Sons Ltd.

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Using a solvothermal method for this research we synthesized nanocrystalline titanium dioxide (nc-TiO2) anatase particles with a mean diameter of 5.4 nm and evaluated their potential antifungal effect against planktonic cells of Candida albicans without UV radiation. To complement experimental data, we analyzed structural and electronic properties of both the bulk and the (1 0 1) surface of anatase by first-principles calculations. Based on experimental and theoretical results, a reactive O2H- and OH- species formation mechanism was proposed to explain the key factor which facilitates the antifungal activity. © 2013 Published by Elsevier B.V.

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The construction of synthetic cells is one of the major goals of bioengineering. The most successful approach consists in the encapsulation of biochemical materials (DNA, RNA, enzymes, etc.) inside lipid vesicles (liposomes), mimicking a cell structure. In this contribution, that also aims at introducing the reader to 'chemical synthetic biology,' we describe the current state of the art of 'semi-synthetic minimal cells' (SSMCs), namely, cell-like structures containing the minimal number of biological compounds that are required to reconstruct a function of interest. We will first describe how the concept of the minimal cell was originated and its relation with the theory of autopoiesis, then we review the most advanced results focused on genetic/metabolic networks inside liposomes. Next, we emphasize that relevance of physical aspects (too often neglected) that impact on the solute entrapment process, and finally we discuss new technological trends in SSMC research that will probably allow their future use in biotechnology. © 2013 Copyright © 2013 Elsevier Inc. All rights reserved.

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Informe de la primera reunión del grupo de trabajo ad-hoc en planificación física y regional. Incluye lista de participantes y documento presentado.