The generator coordinate Hartree-Fock method as strategy for building Gaussian basis sets to ab initio study of the process of adsorption of sulfur on platinum (200) surface

The scheme named generator coordinate Hartree-Fock method (GCHF) is used to build (22s14p) and (33s22p16d9f) gaussian basis sets to S ((3)P) and Pt ((3)D) atoms, respectively. Theses basis sets are contracted to [13s10p] and [19s13p9d5f] through of Dunning's segmented contraction scheme and are enriched with d and g polarization functions, [13s10p1d] and [19s13p9d5flg]. Finally, the [19s13p9d5f1g] basis Set to Pt ((3)D) was supplemented with s and d diffuse functions, [20s13p10d5flg], and used in combination with [13s10p1d] to study the effects of adsorption of S ((3)D) atom on a pt ((3)D) atom belonged to infinite Pt (200) surface. Atom-atom overlap population, bond order, and infrared spectrum of [pt(_)S](2 -) were calculated properties and were carried out at Hartree-Fock-Roothaan level. The results indicate that the process of adsorption of S ((3)P) on pt ((3)D) in the infinite Pt (200) surface is mainly caused by a strong contribution of sigma between the 3p(z) orbital of S ((3)P) and the 6s orbital of pt ((3)D). (c) 2004 Elsevier B.V. All rights reserved.

Photoluminescence of crystalline and disordered BTO : Mn powder: Experimental and theoretical modeling

Disordered and crystalline Mn-doped BaTiO3 (BTO:Mn) powders were synthesized by the polymeric precursor method. After heat treatment, the nature of visible photoluminescence (PL) at room temperature in amorphous BTO:Mn was discussed, considering results of experimental and theoretical studies. X-ray diffraction (XRD), PL, and UV-vis were used to characterize this material. Rietveld refinement of the BTO:Mn from XRD data was used to built two models, which represent the crystalline BTO:Mn (BTO:Mn,) and disordered BTO:Mn (BTO:Mn-d) structures. Theses models were analyzed by the periodic ab initio quantum mechanical calculations using the CRYSTAL98 package within the framework of density functional theory at the B3LYP level. The experimental and theoretical results indicated that PL is related with the degree of disorder in the BTO:Mn powders and also suggests the presence of localized states in the disordered structure. (c) 2006 Elsevier B.V. All rights reserved.

Qualidade de pitaias de polpa branca armazenadas em diferentes temperaturas

The aim of this paper was to evaluate the effect of storage temperature on the quality of red pitaya of pulp white, produced in Itajobi city, São Paulo state. The pitayas were stored at room temperature, (21-27 degrees C with 44-63% de UR), at 18 +/- 1 degrees C, with 86-92% RH), 13 +/- 1 degrees C, with 85-90% RH and at 8 +/- 1 degrees C, with 85-95% RH. The quality was monitored during storage time through the parameters: fresh weight loss titleble acidity; soluble solids contents; vitamin C, external appearance, pH and fruit firmness. Through the results obtained may be concluded that the temperature at 8 +/- 1 degrees C it was proportioned the small fresh weight loss; the acidity, soluble solids, pH and fruit firmness were influenced by the storage temperature and storage time, but the temperature at 8 +/- 1 degrees C it was that occasioned the small change theses parameters. In general, it can be concluded that the temperature at 8 +/- 1 degrees C it was the best to maintenance the quality of pitaya fruit.

Effect of low-level laser therapy on pain levels in patients with temporomandibular disorders: a systematic review

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Cumulative effects of vinasse on the characteristics of red-yellow latosols under cerrado vegetation

Vinasse, a liquor effluent from the alcohol and sugar making industry, was applied annually for twelve years to medium-textured red-yellow latosols under cerrado vegetation sensu stricto, to study the environmental impacts on the biotic and abiotic factors. Four plots were established of which two acted as control and the other two received annual doses of vinasse. The studies were begun in 1980 when the first annual dose of 20 L m-2 year-1 was added to the soil without removing the top scrub layer. Theses doses were added to the soil until 1983, but in 1984 the doses were increased to 50 L m-2 year-1 and used until 1991. Soil samples were taken at a depth of 15 cm every three months from 1987 to 1991. Twenty seven environmental variables in the vinasse-treated and untreated plots were studied. These factors consisted of different enzymatic activities, a number of filamentous fungi, bacteria, actinomycetes and other micro-organisms, nutrients and some micro-climatic factors. The results obtained were statistically analyzed using the Tukey test, Pearson correlation and variance test methods with replicates and three factors. Matrices were determined using the correlation coefficient method and were compared with those of earlier published studies in the same area. The comparison of the results helped characterize changes in the environmental factors studied and in the correlation between them, after using annual cumulative doses of vinasse. Positive effects were observed only for the first six years of this application but vinasse had negative effects after the seventh year. It is concluded that medium-textured red-yellow latosols cannot be treated with vinasse for proloned periods.

Bacillus thuringiensis development from 1971 to 1996: Cases of a research group in Brazil

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

Critical protective role for annexin 1 gene expression in the endotoxemic murine microcirculation

The inflammatory response is a protective process of the body to counteract xenobiotic penetration and injury, although in disease this response can become deregulated. There are endogenous biochemical pathways that operate in the host to keep inflammation under control. Here we demonstrate that the counter-regulator annexin 1 (AnxA1) is critical for controlling experimental endotoxemia. Lipopolysaccharide (LPS) markedly activated the AnxA1 gene in epithelial cells, neutrophils, and peritoneal, mesenteric, and alveolar macrophages-cell types known to function in experimental endotoxemia. Administration of LPS to AnxA1-deficient mice produced a toxic response characterized by organ injury and lethality within 48 hours, a phenotype rescued by exogenous application of low doses of the protein. In the absence of AnxA1, LPS generated a deregulated cellular and cytokine response with a marked degree of leukocyte adhesion in the microcirculation. Analysis of LPS receptor expression in AnxA1-null macrophages indicated an aberrant expression of Toll-like receptor 4. In conclusion, this study has detailed cellular and biochemical alterations associated with AnxA1 gene deletion and highlighted the impact of this protective circuit for the correct functioning of the homeostatic response to sublethal doses of LPS. Copyright © American Society for Investigative Pathology.

Indicators of soil degradation in urban forests: Physical and chemical parameters

The fragmentation of forest habitats in urban areas has aroused increasing interest in recent years according to the growing environmental problems. The fragmentation of theses ecosystems is caused, in general, by the pressure of housing, agriculture and industry, causing losses in biodiversity and problems of soil degradation in the border areas of theses remnants. The establishment of indicators of soil degradation becomes essential for the implementation of conservation and reclamation. This study analyzes physical and chemical characteristics of soil under different forms of vegetation in the forest surrounding the Quilombo Forest, located in Campinas/SP - Brazil, and examines the possibility of using these indices as indicators of environmental degradation in urban remnants. The parameters analyzed were: specific weight natural (γn), specific weight of solids (γs) Ca, P, K, Mg, pH, organic matter, H + Al, Sum of Base (SB) Percent Base Saturation (V%), Cation Exchange Capacity (CEC). The study shows that in general the different forms of land used in the study area significantly changed (or according to) the physical aspects of soil The porosity and voids of the soil stood out as the best indicators of soil physical degradation in the layer 0-20 cm deep. In relation to chemical indices, the soil under the cultivation of cane sugar had a significantly higher pH, K, Ca, Mg and sum of bases. The areas of forest showed higher levels of phosphorus, organic matter and CEC, indicating the importance of maintaining vegetation and replacement for the cycling of organic matter.

ECLAC and the sociology of development

Includes bibliography

Formas de aplicação de zinco e molibdênio no feijoeiro

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

Estratégias de relativização e classe de palavra: um estudo tipológico-funcional

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Acessibilidade semântica nas construções relativas em línguas indígenas brasileiras: um estudo tipológico-funcional

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

Um estudo acerca dos estados mentais: o debate internalismo versus externalismo

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

Duas formas da recepção das idéias de Lukács no Brasil: estética e ontologia

Pós-graduação em Ciências Sociais - FFC

Mapeamento de fragmentos de mata no município de Maringá, PR: uma abordagem da ecologia da paisagem

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)