914 resultados para DFT piperidine morpholine computational study diastereoselection chemodivergent synthesis
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Este estudo foi conduzido para avaliar os efeitos da substituição do fosfato bicálcico pelo fosfato de rocha na dieta de bovinos em crescimento. Foram determinados a digestibilidade aparente das dietas, a absorção aparente do fósforo, cálcio e flúor, o pH ruminal, a concentração de amônia ruminal, a eficiência microbiana e o fósforo no plasma utilizando-se cinco bovinos da raça Holandesa Preto-e-Branco, fistulados, pesando entre 275 e 283 kg. O delineamento estatístico foi um quadrado latino 5 × 5 e as dietas consistiram de 0, 25, 50, 75 e 100% de substituição do fosfato bicálcico pelo fosfato de rocha no suplemento mineral. A adição de fosfato de rocha nas dietas ocasionou aumento linear na ingestão, no fluxo omasal, no fluxo fecal e no desaparecimento total do flúor. As dietas não diferiram quanto à absorção aparente do cálcio, assim como em relação à ingestão, excreção, digestão e digestibilidades aparentes parcial e total da matéria seca, matéria orgânica, proteína bruta, fibra em detergente neutro e carboidratos não-fibrosos. O fósforo no plasma não foi influenciado pelos tratamentos e a média foi de 5,93 mg/dL. Não houve diferença para o pH ruminal e concentração de amônia ruminal. A substituição do fosfato bicálcico não afetou a síntese microbiana aparente e verdadeira de proteína. A total substituição do fosfato bicálcico pelo fosfato de rocha em suplementos minerais em bovinos em crescimento não afetou o ambiente ruminal e a síntese de proteína no rúmen. Assim, a substituição do fosfato bicálcico em dietas para bovinos em crescimento diminui a absorção de fósforo e deveria ser vista com cuidado dependendo dos requerimentos.
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SnO2 nanoparticles doped with TiO2, CoO, Nb2O3 and Al2O3 were obtained in this work using the methods of coprecipitation and polymeric precursor. X Ray Diffraction (XRD), and Scanning Electron Microscopy (SEM) were used to characterize the ceramic powders obtained. Their synterization capacity was determined by dilatometric studies. Sinterized samples of the system on study were also characterized electrically and microstructurally to determine their suitability as varistors.
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Thin films of perovskite-type materials such as PbTiO3, BaTiO3, (Pb,La)TiO3, (Pb, La)(ZrTi)O-3, KNbO3, and Pb(Mg,Nb)03 have been attracting great interest for applications like non-volatile memories, ultrasonic sensors and optical devices. Thin film should be epitaxially grown or at least highly textured since the properties of this anisotropic material depend on the crystallographic orientation. For optical devices, in particular, an epitaxial thin film without defects are essential to reduce optical propagation losses. Pb1-xLaxTiO3 (PLT) where x=0, 13 and 27% thin films were prepared by a chemical method (polymeric precursors method), and deposited by the spin coating technique onto substrates of SrTiO3 (STO) and LaAlO3 (LAO). The films were then beat treated at 500 degrees C in a controlled atmosphere of 0,. The orientation degree of the thin films was obtained from rocking curve technique, by means of X-ray difftaction analysis. A microstructural study revealed that the films were crack-free, homogeneous and have low roughness. (c) 2006 Elsevier B.V. All rights reserved.
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This communication describes, for the first time, the growth of SnO2 nanoribbons by a controlled carbothermal reduction process. An analysis of the transmission electron microscopy image revealed that these nanoribbons have a well-defined shape, with a typical width in the range of 70-300 nm. In general, the nanostructured ribbons were more than 100 mum in length. The results reported here support the hypothesis that this ribbon-like nanostructured material grows by a vapor-solid process. This study introduces two hypotheses to explain the SnO2 nanoribbon growth process.
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We have been developing a computational code to project optical lenses, with low aberration effects. Our main interest is model the human eye, particularly, project special corrective lenses. As the lens shape is the focus of the optimization, we have coupled a ray tracing method with Monte Carlo techniques. The initial results indicated that the algorithm must be improved in terms of resolution and reliability.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Solid state Ln-4-Me-BP compounds, where Ln stands for lighter trivalent lanthanides (lanthanum to europium) and 4-Me-BP is 4-methylbenzylidenepyruvate, have been synthesized. Elemental analysis, complexometry, X-ray powder diffractometry, infrared spectroscopy and simultaneous thermogravimetry-differential thermal analysis (TG-DTA), have been used to characterize and to study the thermal behaviour of these compounds. The results provided information concerning the stoichiometry, crystallinity, thermal stability and thermal decomposition. (C) 2002 Elsevier B.V. B.V. All rights reserved.
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The synthesis, characterization and thermal analysis of the novel cyclometallated compounds [Pd-2(dmba)(2)Cl-2(mu-bpe)] (1), [Pd-2(dmba)(2)(N-3)(2)(mu-bpe)] (2), [Pd-2(dmba)(2)(NCO)(2)(mu-bpe)] (3), [Pd-2(dmba)(2)(SCN)(2)(mu-bpe)] (4), [Pd-2(dmba)(2)(NO3)(2)(mu-bpe)] (5) (bpe=trans-1,2-bis(4-pyridyl)ethylene; dmba=N,N-dimethylbenzylamine) are described. The thermal stability of [Pd-2(dmba)(2)X-2(mu-bpe)] complexes varies in the sequence 1 > 4 > 3 > 2 > 5. The final residues of the thermal decompositions were characterized as metallic palladium by X-ray powder diffraction.
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A joint experimental and theoretical study has been carried out to rationalize the photoluminescence properties of SrTiO3 perovskite thin films synthesized through a soft chemical processing. Only the amorphous samples present photoluminescence at room temperature. From the theoretical side, first principles quantum mechanical techniques, based on density functional theory at B3LYP level, have been employed to study the electronic structure of a crystalline (ST-c) and an asymmetric (ST-a) model. Electronic properties are analyzed in the light of the experimental results and their relevance in relation to the PL behavior of ST is discussed. (C) 2004 Elsevier B.V. All rights reserved.