936 resultados para Crystal growth from melt


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For the first time, crystals of suitable size for X-ray diffractometry structure determination (Dian important anti-HI V drug were prepared under solvothermal conditions. In this study, the crystal structure of didanosine (2`,3`-dideoxyinosine, ddI) in the form of a hydrate was determined using single-crystal X-ray diffractometry. Powder X-ray diffraction analysis revealed that the solid-state phase of the drug incorporated into pharmaceutical solid dosage forms is isostructural to the solvothermally prepared ddI material, even though they do not exhibit an identical chemical composition due to different water fractions occupying hydrophobic channels formed within the crystal lattice. Two ddI conformers are present in the structure, in agreement with a previous structure elucidation attempt. Concerning the keto enol equilibrium of ddI, our crystal data and vibrational characterizations by Fourier transform infrared (FTIR) and FT-Raman spectroscopy techniques were conclusive to state that both conformers exist in the keto form, contrary to solid-state NMR spectroscopic assignments that suggested ddI molecules occur as enol tautomers. In addition, characterizations by thermal (differential scanning calorimetry) and spectroscopic techniques allowed us to understand the structural similarities and the differences related to the hydration pattern of the nonstoichiometric hydrates.

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Confined water, such as those molecules in nanolayers of 2-3 nm in length, plays an important role in the adhesion of hydrophilic materials, mainly in cementitious ones. In this study, the effects of water containing kosmotropic substances on adhesion, known for their ability of enhancing the hydrogen bond (H-bond) network of confined water, were evaluated using mechanical strength tests. Indeed, to link adhesion provided by water confined in nanolayers to a macro-response of the cementitious samples, such as the bending strength, requires the evaluation of local water H-bond network configuration in the presence of kosmotropes, considering their influences on the extent and the strength of H-bonds. Among the kosmotropes, trimethylamine and sucrose provided a 50% increase in bending strength compared to the reference samples, the latter just using water as an adhesive, whereas trehalose was responsible for reducing the bending strength to a value close to the samples without any adhesive. The results attained opened up perspectives regarding exploring the confined water behavior which naturally occurs throughout the hydration process in cement-based materials.

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The inability of rational expectation models with money supply rules to deliver inflation persistence following a transitory deviation of money growth from trend is due to the rapid adjustment of the price level to expected events. The observation of persistent inflation in macroeconomic data leads many economists to believe that prices adjust sluggishly and/or expectations must not be rational. Inflation persistence in U.S. data can be characterized by a vector autocorrelation function relating inflation and deviations of output from trend. In the vector autocorrelation function both inflation and output are highly persistent and there are significant positive dynamic cross-correlations relating inflation and output. This paper shows that a flexible-price general equilibrium business cycle model with money and a central bank using a Taylor rule can account for these patterns. There are no sticky prices and no liquidity effects. Agents decisions in a period are taken only after all shocks are observed. The monetary policy rule transforms output persistence into inflation persistence and creates positive cross-correlations between inflation and output.

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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Rottboelia exaltata é considerada uma das 12 piores espécies daninhas que infestam a cultura da cana-de-açúcar, pois geralmente não permite o fechamento das entrelinhas da cana quando se encontra em densidades maiores que 10 plantas por m². Com o objetivo de estudar a produção de massa seca, a distribuição e o acúmulo de macronutrientes em plantas de capim-camalote, foi conduzido o presente trabalho em condições de casa de vegetação. As plantas foram cultivadas em vasos preenchidos com areia de rio lavada e peneirada, sendo irrigadas diariamente com solução nutritiva completa de Hoagland & Arnon a 50% da concentração original. A primeira avaliação foi realizada aos 21 dias após a emergência (DAE), e as seguintes, em intervalos de 14 dias. Foi determinada a biomassa seca das diferentes partes da planta. O material foi moído e analisado quanto aos teores de macronutrientes. Os resultados indicaram que a planta apresentou crescimento durante toda a fase experimental. O maior acúmulo ocorreu aos 133 DAE, quando a planta acumulou 87,18 gramas de massa seca. Aos 133 DAE, cerca de 34,60% da biomassa seca estava alocada nas raízes, 40,29% nos colmos + bainhas, 15,13% nas folhas e 8,35% nas inflorescências. O acúmulo total dos macronutrientes foi crescente ao longo do ciclo de desenvolvimento da planta. Até 77 DAE, uma planta de capim-camalote acumula 7,14 gramas de massa seca; 132,2 mg de K; 81,5 mg de N; 32,3 mg de Ca; 18,8 mg de P; 18,6 mg de Mg; e 10,1 mg de S.

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Foram estimados parâmetros genéticos para pesos do nascimento aos 570 dias de idade para 35.308 animais da raça Tabapuã, nascidos entre 1975 e 2000, pertencentes à ABCZ (Associação Brasileira de Criadores de Zebu) sob três modelos distintos. O modelo 1 incluiu o efeito genético aditivo direto como aleatório, além dos efeitos fixos de grupo de contemporâneos, definido pelas variáveis: proprietário, rebanho, criador, rebanho do criador, sexo, condição de criação, ano e mês de nascimento, ano e mês da pesagem, e os efeitos linear e quadrático de idade do bezerro e idade da vaca ao parto como covariáveis. O modelo 2 compreendeu, além dos efeitos supracitados, o efeito de ambiente permanente materno. O modelo 3 constou dos efeitos genético aditivo direto e materno e de ambiente permanente materno (aleatórios) e os mesmos incluídos no modelo 1 (fixos). de acordo com o teste de razão de verossimilhança, o modelo 3 foi o mais adequado para ajustar os efeitos estudados. As estimativas de herdabilidade direta foram baixas a moderadas (0,08 a 0,26), decrescendo do nascimento às idades subseqüentes, com picos aos 90 e aos 180 dias de idade. Aos 345 dias de idade, ocorreu novo aumento nas estimativas, com menor oscilação entre as estimativas subseqüentes até 570 dias de idade. As estimativas de herdabilidade materna foram baixas, sendo maiores no período da desmama.

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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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This article reports a study of the thermal stability and morphological changes in tin oxide nanobelts grown in the orthorhombic SnO phase. The nanobelts were heat-treated in a differential scanning calorimetry (DSC) furnace at 800 degrees C for I It in argon, oxygen, or synthetic air atmospheres. The samples were then characterized by DSC, X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM), and high resolution field emission scanning electron microscopy (FE-SEM). The results confirmed that the orthorhombic SnO phase is thermodynamically unstable, causing the belts to transform into the SnO2 phase when heat-treated. During the phase transition, if oxygen is available in the furnace atmosphere, nanofibers grow at the edge of nanobelts at about 50 degrees of the belts' growth direction, while particles grow on the belt surface in the absence of oxygen. Although the decomposition process reduces the nanobelt cell volume by 22%, most belts remain monocrystalline after the heat treatment. The results confirm that phase transition is a decomposition process, which explains the morphological changes in the belts based on metallic tin generated in the process.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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There are many advantages to using a microwave as a source of heat in hydrothermal reactions. Because it is a quick and homogeneous way to crystallize ceramic powders, it was used in this work for the production of antiferroelectric sodium mobate (NaNbO3) in a cubic-like form and its intermediary phase, disodium diniobate hydrate (Na2Nb2O6 center dot H2O), with a fiber morphology. The syntheses were carried out by treating niobic acid (Nb2O5 center dot nH(2)O) with NaOH. By changing the reaction time and the concentration of the reactants, particles with different structures and different morphologies could be obtained. The structural evolution of the products of this reaction was elucidated on the basis of the arrangement of the NbO6 octahedral units. Conclusive results were obtained with morphological and structural characterizations through XRD, TEM, MEV, and NMR and Raman spectroscopy. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008).

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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The interaction between the nonionic surfactant C(12)E(5) and a high molar mass (M = 5.94 x 10(5)) poly(ethylene oxide) (PEG) in aqueous solution has been examined as a function of temperature by dynamic light scattering and fluorescence methods over a broad concentration range. Clusters of small surfactant micelles form within the PEO coil, leading to its extension. The hydrodynamic radius of the complex increases strongly with temperature as well as with the concentrations of surfactant and polymer. At high concentrations of the surfactant, the coil/micellar cluster complex coexists with free C(12)E(5) micelles in the solution. Fluorescence quenching measurements show a moderate micellar growth from 155 to 203 monomers in PEO-free solutions of C(12)E(5) over a wide concentration range (0.02-2.5%) at 8 degrees C. Below 0.25% C(12)E(5), the average aggregation number (N) of the micelles is smaller in the presence of PEO than in its absence. However, N increases with increasing surfactant concentration up to a plateau value of about 270 at about 1.2% (ca. 30 mM) C(12)E(5). At high surfactant concentrations, N is larger in the presence of polymer than in its absence, a finding which is connected to a significant lowering of the clouding temperature due to the PEO at these compositions. Similar results of increasing aggregation number followed by a plateau were also found at a fixed concentration of surfactant (2.5%) and varied PEO.