Smooth landscape solvent dynamics in electron transfer reactions

Solvent effects play a major role in controlling electron-transfer reactions. The solvent dynamics happens on a very high-dimensional surface, and this complex landscape is populated by a large number of minima. A critical problem is to understand the conditions under which the solvent dynamics can be represented by a single collective reaction coordinate. When this unidimensional representation is valid, one recovers the successful Marcus theory. In this study the approach used in a previous work [V. B. P. Leite and J. N. Onuchic; J. Phys. Chem. 100, 7680 (1996)] is extended to treat a more realistic solvent model, which includes energy correlation. The dynamics takes place in a smooth and well behaved landscape. The single shell of solvent molecules around a cavity is described by a two-dimensional system with periodic boundary conditions with nearest neighbor interaction. It is shown how the polarization-dependent effects can be inferred. The existence of phase transitions depends on a factor y proportional to the contribution from the two parameters of the model. For the present model, γ suggests the existence of weak kinetic phase transitions, which are used in the analysis of solvent effects in charge-transfer reactions. © 1999 American Institute of Physics.

Collagen fiber reorganization in the rat ventral prostate following androgen deprivation: A possible role for smooth muscle cells

BACKGROUND. Stroma plays an essential role in glandular function in different systems. In the prostate, it is responsible for the development and maintenance of the differentiated state of the epithelium. The marked reduction in the epithelial compartment of the prostate gland following castration is followed by a similarly important reorganization of the stroma. In this work, we characterized the reorganization of collagen fibers in the ventral prostate of castrated rats. METHODS. Histochemical tests and immunohistochemistry for type I and III collagens plus confocal microscopy of triple-labeled (collagen III, actin, and DNA) tissue sections were employed. RESULTS. We showed that collagen fibers are composed of type I and type III collagens and that they are progressively concentrated around the epithelial structures (ducts and acini) and become increasingly undulated and folded. Double-labeling of collagen fibers and F-actin demonstrated that smooth muscle cells (SMC) are intimately associated with collagen fibers. CONCLUSIONS. The results demonstrated a marked reorganization of the collagen fibers, and suggest an active role of the SMC in the reorganization of the fibrillar components of the stroma. (C) 2000 Wiley-Liss, Inc.

Bound constrained smooth optimization for solving variational inequalities and related problems

Variational inequalities and related problems may be solved via smooth bound constrained optimization. A comprehensive discussion of the important features involved with this strategy is presented. Complementarity problems and mathematical programming problems with equilibrium constraints are included in this report. Numerical experiments are commented. Conclusions and directions of future research are indicated.

γ-Radiation induces apoptosis via sarcoplasmatic reticulum in guinea pig ileum smooth muscle cells

We investigated the effects of γ-radiation on cells isolated from the longitudinal smooth muscle layer of the guinea pig ileum, a relatively radioresistant tissue. Single doses (up to 50 Gy) reduced the amount of sarcoplasmatic reticulum and condensed the myofibrils, as shown by electron microscopy 3 days post-irradiation. After that, contractility of smooth muscle strips was reduced. Ca2+ handling was altered after irradiation, as shown in fura-2 loaded cells, with elevated basal intracellular Ca2+, reduced amount of intrareticular Ca2+, and reduced capacitive Ca2+ entry. Radiation also induced apoptosis, judged from flow cytometry of cells loaded with proprium iodide. Electron microscopy showed that radiation caused condensation of chromatin in dense masses around the nuclear envelope, the presence of apoptotic bodies, fragmentation of the nucleus, detachment of cells from their neighbors, and reductions in cell volume. Radiation also caused activation of caspase 12. Apoptosis was reduced by the administration of the caspase inhibitor Z-Val-Ala-Asp-fluoromethyl-ketone methyl ester (Z-VAD-FMK) during the 3 day period after irradiation, and by the chelator of intracellular Ca2+, 1,2-bis(o-aminophenoxy)-ethane-N,N,N′,N′-tetraacetic acid (BAPTA), from 1 h before until 2 h after irradiation. BAPTA also reduced the effects of radiation on contractility, basal intracellular Ca2+, amount of intrareticular Ca2+, capacitative Ca2+ entry, and apoptosis. In conclusion, the effects of gamma radiation on contractility, Ca2+ handling, and apoptosis appear due to a toxic action of intracellular Ca2+. Ca2+-induced damage to the sarcoplasmatic reticulum seems a key event in impaired Ca2+ handling and apoptosis induced by γ-radiation. © 2008 Elsevier B.V. All rights reserved.

Análise química da folha d de abacaxizeiro cv. smooth cayenne antes e após a indução floral em função de doses e parcelamentos de nitrogênio

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Closed poly-trajectories and Poincaré index of non-smooth vector fields on the plane

This paper is concerned with closed orbits of non-smooth vector fields on the plane. For a class of non-smooth vector fields we provide necessary and sufficient conditions for the existence of closed poly-trajectorie. By means of a regularization process we prove that hyperbolic closed poly-trajectories are limit sets of a sequence of limit cycles of smooth vector fields. In our approach the Poincaré Index for non-smooth vector fields is introduced. © 2013 Springer Science+Business Media New York.

Comparative analysis of strut-and-tie models using Smooth Evolutionary Structural Optimization

The strut-and-tie models are widely used in certain types of structural elements in reinforced concrete and in regions with complexity of the stress state, called regions D, where the distribution of deformations in the cross section is not linear. This paper introduces a numerical technique to determine the strut-and-tie models using a variant of the classical Evolutionary Structural Optimization, which is called Smooth Evolutionary Structural Optimization. The basic idea of this technique is to identify the numerical flow of stresses generated in the structure, setting out in more technical and rational members of strut-and-tie, and to quantify their value for future structural design. This paper presents an index performance based on the evolutionary topology optimization method for automatically generating optimal strut-and-tie models in reinforced concrete structures with stress constraints. In the proposed approach, the element with the lowest Von Mises stress is calculated for element removal, while a performance index is used to monitor the evolutionary optimization process. Thus, a comparative analysis of the strut-and-tie models for beams is proposed with the presentation of examples from the literature that demonstrates the efficiency of this formulation. © 2013 Elsevier Ltd.

Fontes e doses de nitrogênio antes e após a indução floral em abacaxi cv. Smooth Cayenne, na região noroeste do estado de São Paulo

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

2-D ZO CRS stack by considering an acquisition line with smooth topography

Os dados sísmicos terrestres são afetados pela existência de irregularidades na superfície de medição, e.g. a topografia. Neste sentido, para obter uma imagem sísmica de alta resolução, faz-se necessário corrigir estas irregularidades usando técnicas de processamento sísmico, e.g. correições estáticas residuais e de campo. O método de empilhamento Superfície de Reflexão Comum, CRS ("Common-Reflection-Surface", em inglês) é uma nova técnica de processamento para simular seções sísmicas com afastamento-nulo, ZO ("Zero-Offset", em inglês) a partir de dados sísmicos de cobertura múltipla. Este método baseia-se na aproximação hiperbólica de tempos de trânsito paraxiais de segunda ordem referido ao raio (central) normal. O operador de empilhamento CRS para uma superfície de medição planar depende de três parâmetros, denominados o ângulo de emergência do raio normal, a curvatura da onda Ponto de Incidência Normal, NIP ("Normal Incidence Point", em inglês) e a curvatura da onda Normal, N. Neste artigo o método de empilhamento CRS ZO 2-D é modificado com a finalidade de considerar uma superfície de medição com topografia suave também dependente desses parâmetros. Com este novo formalismo CRS, obtemos uma seção sísmica ZO de alta resolução, sem aplicar as correições estáticas, onde em cada ponto desta seção são estimados os três parâmetros relevantes do processo de empilhamento CRS.

3D raytracing through homogeneous anisotropic media with smooth interfaces

O raio conectando dois pontos em um meio anisotrópico, homogêneo por partes e com variação lateral, é calculado utilizando-se técnicas de continuação em 3D. Se combinado com algoritmos para solução do problema de valor inicial, o método pode ser estendido para o cálculo de eventos qS₁ e qS₂. O algoritmo apresenta a mesma eficiência e robustez que implementações de técnicas de continuação em meios isotrópicos. Rotinas baseadas neste algoritmo têm várias aplicações de interesse. Primeiramente, na modelagem e inversão de parâmetros elásticos na presença de anisotropia. Em segundo lugar, as iterações de Newton-Raphson produzem atributos da frente de onda como vetor vagarosidade e a matrix hessiana do tempo de trânsito, quantidades que permitem determinar o espalhamento geométrico e aproximações de segunda ordem para o tempo de trânsito. Estes atributos permitem calcular as amplitudes ao longo do raio e investigar os efeitos da anisotropia no empilhamento CRS em modelos de velocidade simples.

Desempenho do abacaxizeiro cultivar Smooth Cayenne submetido a duas frequências e quatro lâminas de irrigação

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Risk factors and presence of antibodies to Brucella canis and smooth Brucella in dogs from the municipality of Araguaina, Tocantins, Brazil

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Grafts of porcine small intestinal submucosa seeded with cultured homologous smooth muscle cells for bladder repair in dogs

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

Effects of Dextrose and Lipopolysaccharide on the Corrosion Behavior of a Ti-6Al-4V Alloy with a Smooth Surface or Treated with Double-Acid-Etching

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