931 resultados para free energy of binding
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The nature of the protective film formed by benzotriazole (BTAH) on the surface of the 90/10 CuNi alloy in deaerated 0.5 mol L-1 H2SO4 solution containing Fe(III) ions as oxidant was investigated by weight-loss, calorimetric measurements, and by surface-enhanced Raman spectroscopy (SERS). The SERS measurements show that the protective film is composed by the [Cu(I)BTA](n), polymeric complex and that the BTAH molecules are also adsorbed on the electrode surface. A modification of the BET isotherm for adsorption of gases ill solids is proposed to describe the experimental results obtained from weight-loss experiments that suggest an adsorption in multilayers. Electrochemical studies of copper and nickel in 0.5 mol L-1 H2SO4 in presence and absence of BTAH have also been made as an aid to interpret the results. The calculated adsorption free energy of the cuprous benzotriazolate on the surface of the alloy is in accordance with the value for pure copper. (C) 2007 Elsevier Ltd. All rights reserved.
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A fast, high-yielding synthesis of diaryl ethers with use of mild and metal-free conditions has been developed. The scope includes bulky ortho-substituted diaryl ethers, which are difficult to obtain by metal-catalyzed protocols. Halo-substituents, racemization-prone amino acid derivatives, and heteroaromatics are also tolerated. The methodology is expected to be of high utility in the synthesis of complex molecules and in the pharmaceutical industry.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Maize gluten feed (MGF) is a co-product of wet milling of maize, and is composed of structures that remain after most starch, gluten and germ has been extracted from the grain. Although currently used in dog foods, its digestibility and energy values have not been documented. Two techniques were used to determine nutrient digestibility of MGF for dog foods. Both techniques used extruded diets fed to Beagle dogs, with six replicates per diet. The first study used a difference method in which 300 g/kg of a reference diet was replaced by MGF. Based on the difference method, the coefficient of total tract apparent digestibility (CTTAD) of MGF was 0.53 for dry matter (DM), 0.69 for crude protein (CP), 0.74 for fat, 0.99 for starch, and 0.55 for gross energy (GE). The calculated metabolizable energy (ME) of MGF was 7.99 MJ/kg (as-fed). The second study used a regression method and included a basal diet and a basal diet with 70, 140 and 210 g MGF/kg of diet (as a substitute for maize starch). Maize gluten feed inclusion resulted in a linear reduction of CTTAD of DM (R(2)=0.99; P<0.001), CP (R(2)=0.95; P=0.002), fat (R(2)=0.87; P=0.009). starch (R(2)=0.81; P<0.001), and GE (R(2)=0.99; P<0.001). Faecal production increased linearly from 56 g to 107 g/dog/d (R(2)=0.99; P<0.001), with a linear reduction of faecal DM (R(2)=0.99: P<0.001) and a linear increase in faecal lactic acid concentration (P<0.02). Both urine (R(2)=0.77; P=0.029) and faeces (R(2)=0.92: P=0.019) showed a linear reduction in pH. Results of ingredient MAD obtained by the regression and difference methods were close (6% or less of variation) for CP, fat, and starch, and also for ME content (1.4% higher for the difference method), but the two methods disagreed on calculated CTTAD of DM and organic matter. The high dietary fiber content of MGF (382 g/kg) may explain the low digestibility of this ingredient. Maize gluten feed could be a useful ingredient for formulations designed to have low energy or reduce the urine pH of dogs. (C) 2011 Elsevier B.V. All rights reserved.
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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The absorption edge and the bandgap transition of sol-gel-dip-coating SnO2 thin films, deposited on quartz substrates, are evaluated from optical absorption data and temperature dependent photoconductivity spectra. Structural properties of these films help the interpretation of bandgap transition nature, since the obtained nanosized dimensions of crystallites are determinant on dominant growth direction and, thus, absorption energy. Electronic properties of the bulk and (110) and (101) surfaces are also presented, calculated by means of density functional theory applied to periodic calculations at B3LYP hybrid functional level. Experimentally obtained absorption edge is compared to the calculated energy band diagrams of bulk and (110) and (101) surfaces. The overall calculated electronic properties in conjunction with structural and electro-optical experimental data suggest that the nature of the bandgap transition is related to a combined effect of bulk and (101) surface, which presents direct bandgap transition.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Microhardness measurements were carried out in a low carbon lamination steel after 6% of temper rolling, in order to evaluate local variations of work hardening as a function of crystallographic orientation. EBSD (electron back scattered diffraction) was used to determine grain orientations with respect to individual rolling planes and rolling directions. Hardness was shown to increase with the local Taylor factor. TEM observations and a well-known dislocation hardening model were used to confirm the equivalence between hardness values and the stored energy of cold work. A definite correlation between stored energy and Taylor factors could therefore be established, being more consistent than previous data reported in the literature. The improvement was thought to be related to the rather small plastic deformation, during which Taylor factors could be considered to remain constant. (c) 2006 Elsevier B.V. All rights reserved.
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This article concerns the free vibration of a single-degree-of-freedom (SDOF) system with three types of nonlinear damping. One system considered is where the spring and the damper are connected to the mass so that they are orthogonal, and the vibration is in the direction of the spring. It is shown that, provided the displacement is small, this system behaves in a similar way to the conventional SDOF system with cubic damping, in which the spring and the damper are connected so they act in the same direction. For completeness, these systems are compared with a conventional SDOF system with quadratic damping. By transforming all the equations of motion of the systems so that the damping force is proportional to the product of a displacement dependent term and velocity, then all the systems can be directly compared. It is seen that the system with cubic damping is worse than that with quadratic damping for the attenuation of free vibration. [DOI: 10.1115/1.4005010]
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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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The teleparallel versions of the Einstein and the Landau-Lifshitz energy-momentum complexes of the gravitational field are obtained. By using these complexes, the total energy of the universe, which includes the energy of both the matter and the gravitational fields, is then obtained. It is shown that in the case of a closed universe, the total energy vanishes independently of the pseudotensor used, as well as of the three dimensionless coupling constants of teleparallel gravity.
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We study the problem of the evolution of the free surface of a fluid in a saturated porous medium, bounded from below by a. at impermeable bottom, and described by the Laplace equation with moving-boundary conditions. By making use of a convenient conformal transformation, we show that the solution to this problem is equivalent to the solution of the Laplace equation on a fixed domain, with new variable coefficients, the boundary conditions. We use a kernel of the Laplace equation which allows us to write the Dirichlet-to-Neumann operator, and in this way we are able to find an exact differential-integral equation for the evolution of the free surface in one space dimension. Although not amenable to direct analytical solutions, this equation turns out to allow an easy numerical implementation. We give an explicit illustrative case at the end of the article.
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We perform variational calculations of heavy-light meson masses using a fitted formula to a lattice two-quark potential. We examine the light quark mass dependence of the meson mass using the Schrodinger equation and the Dirac equation. For the Dirac equation, a saddle-point variational principle is employed, since the Dirac Hamiltonian is not bound from below.