960 resultados para 3 Models


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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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The correlation between experimental data and theoretical calculations have been investigated to explain the photoluminescence at room temperature of Ba(Ti0.75Zr0.25)O-3 (BTZ) thin films prepared by the polymeric precursor method. The degree of structural order-disorder was investigated by X-ray diffraction, Fourier transform infrared spectroscopy, ultraviolet-visible absorption spectroscopy and photoluminescence (PL) measurements. First-principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models. The electronic properties are analyzed and the relevance of the present theoretical and experimental results on the PL behavior is discussed. The presence of localized electronic levels and a charge gradient in the band gap due to a break in symmetry, are responsible for the PL in disordered BTZ lattice. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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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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Com este trabalho objetivou-se determinar parâmetros genéticos para peso corporal de perdizes em cativeiro. Foram utilizados modelos de regressão aleatória na análise dos dados considerando os efeitos genéticos aditivos diretos (AD) e de ambiente permanente de animal (AP) como aleatórios. As variâncias residuais foram modeladas utilizando-se funções de variância de ordem 5. A curva média da população foi ajustada por polinômios ortogonais de Legendre de ordem 6. Os efeitos genéticos aditivos diretos e de ambiente permanente de animal foram modelados utilizando-se polinômios de Legendre de segunda a nona ordem. Os melhores resultados foram obtidos pelos modelos de ordem 6 de ajuste para os efeitos genéticos aditivos diretos e de ordem 3 para os de ambiente permanente pelo Critério de Informação de Akaike e ordem 3 para ambos os efeitos pelos Critério de Informação Bayesiano de Schwartz e Teste de Razão de Verossimilhança. As herdabilidades estimadas variaram de 0,02 a 0,57. O primeiro autovalor respondeu por 94 e 90% da variação decorrente de efeitos aditivos diretos e de ambiente permanente, respectivamente. A seleção de perdizes para peso corporal é mais efetiva a partir de 112 dias de idade.

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We calculate the contribution of relativistic dynamics on the neutron-deutron scattering length and triton binding energy employing five sets trinucleon potential models and four types of three-dimensional relativistic three-body equations suggested in the preceding paper. The relativistic correction to binding energy may vary a lot and even change sign depending on the relativistic formulation employed. The deviations of these observables from those obtained in nonrelativistic models follow the general universal trend of deviations introduced by off- and on-shell variations of two- and three-nucleon potentials in a nonrelativistic model calculation. Consequently, it will be difficult to separate unambiguously the effect of off- and on-shell variations of two- and three-nucleon potentials on low-energy three-nucleon observables from the effect of relativistic dynamics. (C) 1994 Academic Press, Inc.

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Plant extracts are some of the most attractive sources of new drugs and have shown promising results for the treatment of gastric ulcers. Several folk medicinal plants and herbs have been used to treat gastrointestinal disorders, including gastric ulcers. Mammea americana L. (Guttiferae) fruit is very common in the diet of the population of northern South America. Our research interest in this plant arose because of its potential medicinal value as a tonic and against stomachache, as used in folk medicine. In this paper we evaluated three different extracts (ethanolic/EtOH, methanolic/MeOH and dichloromethane/DCM) obtained from M. americana L., for their ability to protect the gastric mucosa against injuries caused by necrotizing agents (0.3 M HCI/60% EtOH), hypothermic restraint stress, nonsteroidal anti-inflammatory drugs (NSAID, indomethacin) and pylorus ligation. In the HCI/EtOH-induced gastriculcer model, EtOH and DCM extracts demonstrated significant inhibition of the ulcerative lesion index by 54% (12.0 +/- 2.6 mm) and 86% (3.7 +/- 1.8 mm), respectively, in relation to the control value (26.0 +/- 1.4 mm) (p < 0.000 1). In the NSAID/cholinomimetic-induced lesion model, both EtOH and DCM extracts showed antiulcerogenic effects with significant reduction in the damage to these gastric lesions of 36% (8.3 +/- 2.0 mm) and 42% (7.5 +/- 1.4 mm), respectively, as compared to the control group (13.0 +/- 0.9 mm) (p < 0.0001). In the gastric ulcer induced by hypothermic-restraint stress, both extracts also showed significant activity, and inhibited the gastric lesion index by 58% and 75%, respectively. The EtOH and DCM extracts also changed gastric juice parameters as well as those of cimetidine, decreased gastric acid secretion significantly (p < 0.0001), increased pH values and promoted reduced acid output (p < 0.0001). In all gastric-ulcer-induced models, MeOH extract did not show any significant antiulcerogenic activity, nor did it change gastric-juice parameters (p > 0.05). The results suggest that EtOH and DCM extracts obtained from M. americana possess excellent antisecretory and/or gastrotective effect in all gastric ulcer models. These results suggest that the antiulcerogenic compound(s) present in M. americana may be clustered in the apolar fraction, which will be investigated by our group for the probable mechanisms of action. (c) 2004 Elsevier GmbH. All rights reserved.

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The effects of acute oral administration of erythrinian alkaloids, Le. (+)-alpha-hydroxy-erysotrine, erythravine and (+)-11 alpha-hydroxy-erythravine isolated from the flowers of Erythrina mulungu were investigated in two animal models of anxiety in mice-the light-dark transition model (LDTM) and the elevated plus-maze (EPM). In the LDTM, erythravine (3, 10 mg/kg) and (+)-11 alpha-hydroxy-erythravine (10mg/kg) increased the time spent by the animals in the illuminated compartment and (+)-11 alpha-hydroxy-erythravine (3 mg/kg) increased the number of transitions between compartments of the LDTM, suggesting an anxiolytic-like effect of these erythrinian alkaloids. Nevertheless, the third alkaloid studied, (+)-alpha-hydroxy-erysotrine, did not change any behavioral response with the range of doses used (3-10 mg/kg). Since the oral administration of the crude extract of E. mulungu (EM) (100-400 mg/kg) did not modify the conventional measures of anxiety in the EPM, this animal model was not chosen to evaluate the anxiolytic properties of the isolated alkaloids. These results suggest that the alkaloids erythravine and (+)-11 alpha-hydroxy-erythravine are responsible for the anxiolytic effects of the crude extract of E. mulungu.

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The therapeutic and pathogenetic effects of Dolichos pruriens were evaluated using experimental models in rats. In the therapeutic experiment Wistar rats were housed in a heated environment (25 +/- 3 degrees C) to induce itch, and treated with ascending potencies D. pruriens (6 cH, 9 cH, 12 cH and 30 cH), each for 10 days. The positive control group received vehicle (ethanol 30% in water). The negative control group received no treatment and were kept at a standard temperature.In the pathogenetic experiment, all animals were kept at a temperature of 20+/-3 degrees C and treated for 30 consecutive days with D. pruriens 6 or 30 cH, or ethanol vehicle, or no treatment. The experiments were performed blind.The statistical analysis used Bartlett's test, followed by ANOVA/Tuckey-Krammer or Kruskal-Wallis/Dunn. The results point to the existence of therapeutic effects, with inhibition of the itching, skin lesions and fur thinning produced by heat, more evident in later observations, with the 9 12, and 30 cH potencies (Kruskal-Wallis/Dunn; P = 0.001). No changes were observed in the other parameters, such as open field activity and laterality of the itching. In the pathogenetic experiment, no changes were observed in any parameters examined. We conclude that the proposed experimental model demonstrates the therapeutic effect of D. pruriens, but not its pathogenetic effects.

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Ultrafine PbZr0.20Ti0.80O3 was omorphized through high-energy mechanical milling. The structural evolution through the omorphization process was accompanied by various characterization techniques, such as X-ray diffraction, Fourier-transformed IR spectroscopy (FTIR), high-resolution transmission electron microscopy (HR-TEM), and Raman spectroscopy. A strong photoluminescence was measured at room temperature for amorphized PbZr0.20Ti0.80O3, and interpreted by means of high-level quantum mechanical calculations in the density functional theory frame-work. Three periodic models were used to represent the crystalline and amorphized PbZr0.20Ti0.80O3, and they allowed the calculation of electronic properties that are consistent with the experimental data and that explain the appearance of photoluminescence.

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This paper proposes a methodology to incorporate voltage/reactive representation to Short Term Generation Scheduling (STGS) models, which is based on active/reactive decoupling characteristics of power systems. In such approach STGS is decoupled in both Active (AGS) and Reactive (RGS) Generation Scheduling models. AGS model establishes an initial active generation scheduling through a traditional dispatch model. The scheduling proposed by AGS model is evaluated from the voltage/reactive points of view, through the proposed RGS model. RGS is formulated as a sequence of T nonlinear OPF problems, solved separately but taking into account load tracking between consecutive time intervals. This approach considerably reduces computational effort to perform the reactive analysis of the RGS problem as a whole. When necessary, RGS model is capable to propose active generation redispatches, such that critical reactive problems (in which all reactive variables have been insufficient to control the reactive problems) can be overcome. The formulation and solution methodology proposed are evaluated in the IEEE30 system in two case studies. These studies show that the methodology is robust enough to incorporate reactive aspects to STGS problem.

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The enthalpy-entropy compensation theory was applied to water sorption for grapes of Italy variety. The moisture sorption isotherms were analyzed using the static gravimetric method at 35, 40, 50, 60, 70 and 75 degrees C. For isotherms construction, the skin and pulp of the grape were used separately and it was possible to observe significant differences. The GAB equation was fitted to the experimental data, using direct nonlinear regression analysis; the agreement between experimental and calculated values was satisfactory. The net isosteric heat or enthalpy of water sorption, determined from the equilibrium sorption data, showed a different behavior when compared with other works, as it was obtained for skin and pulp separately. Plots of Delta h vs Delta S for skin and pulp provided the isokinetic temperatures T-Bs = 423.2 +/- 27.6 K and T-Bp = 424.5 +/- 25.3 K, respectively, indicating an enthalpy-controlled desorption process over the whole range of moisture content considered.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)