Composition and electronic structure of Zn7-xMxSb2O12 (M = Ni and Co) spinel compounds

The relation between the composition and electronic structure of the perfectly inverse spinel compound Zn7-xMxSb2O12 (M = Ni and Co) has been studied by powder X-ray diffraction and X-ray photoelectron spectroscopy. Changes in the site occupancy are associated with shifts in the core levels as observed in the core level spectral analyses. The configuration of the density of states in the valence band due to the Co and Ni states can be observed in the valence band spectra. (C) 2004 Elsevier B.V. All rights reserved.

Automated NMR structure determination and disulfide bond identification of the myotoxin crotamine from Crotalus durissus terrificus

Crotamine is one of four major components of the venom of the South American rattlesnake Crotalus durissus terrificus. Similar to its counterparts in the family of the myotoxins, it induces myonecrosis of skeletal muscle cells. This paper describes a new NMR structure determination of crotamine in aqueous solution at pH 5.8 and 20 degrees C, using standard homonuclear (1)H NMR spectroscopy at 900 MHz and the automated structure calculation software ATNOS/CANDID/DYANA. The automatic NOESY spectral analysis included the identification of a most likely combination of the six cysteines into three disulfide bonds, i.e. Cys4-Cys36, Cys11-Cys30 and Cys18-Cys37; thereby a generally applicable new computational protocol is introduced to determine unknown disulfide bond connectivities in globular proteins. A previous NMR structure determination was thus confirmed and the structure refined. Crotamine contains an alpha-helix with residues 1-7 and a two-stranded anti-parallel beta-sheet with residues 9-13 and 34-38 as the only regular secondary structures. These are connected with each other and the remainder of the polypeptide chain by the three disulfide bonds, which also form part of a central hydrophobic core. A single conformation was observed, with Pro13 and Pro21 in the trans and Pro20 in the cis-form. The global fold and the cysteine-pairing pattern of crotamine are similar to the beta-defensin fold, although the two proteins have low sequence homology, and display different biological activities. (c) 2005 Elsevier Ltd. All rights reserved.

Experimental and theoretical study of the compound [Pd(dmba)(NCO)(imz)]

The compound [Pd(dmba)(NCO)(imz)] (dmba = N,N-dimethylbenzilamine; NCO = cyanate; imz = imidazole) was studied through experimental and theoretical methods. The complex was synthesized and characterized by IR and NMR spectroscopy. To an appropriate representation of the molecular environment, Gaussian basis sets for the constituent atoms of the compound were built and, after adequate supplementation with polarization and diffuse functions, they were used to study the molecule. Calculations of electronic and vibrational structure of two possible isomers were carried out, showing that the compound, which contains the NCO GROUP trans to the Pd-C bond, is 4.29 kcal/mol more stable than the analogous one, where the imz ligand is trans to the Pd-C bond. The calculated molecular parameters, bond distances, and bond angles showed that the geometry around the metallic center is square-planar with the cyanate being linear. The theoretical infrared spectrum of C(1) symmetry (electronic state (1)A) is in accordance with the experimental one. It also verified the contribution of Pd (4d(xz) + 4d(yz)) and Pd (4d(xy)) in the HOMO and LUMO orbitals, respectively. (c) 2006 Elsevier B.V. All rights reserved.

Structural study of composites of aerosil fumed silica and tetraethoxysilane-derived sonogels

Composites of aerosil fumed silica and tetraethoxysilane-derived sonogel were prepared by changing the aerosil content between 0 and 30wt% with respect to the silica content in the original tetraethoxysilane (TEOS). The structural characteristics were studied by density and Vickers microhardness measurements and analyzed by means of small-angle X-ray scattering (SAXS). The structure of the composite aerosil/TEOS-derived sonogel can be described as inclusions of the aerosil particles embedded in the matrix of the TEOS-derived sonogel, forming an aerosil/matrix interfacial surface inside the composite. The weakening of the bonding of aerosil/matrix interface, as suggested by the reported decrease in microhardness, increases the fracture toughness of the composite. The additive effect of the aerosil particles on the structure of the sonogel accounts for the increase of the bulk density and reduction of the specific surface of the composite. Some internal structure associated with the microclusters making up the sonogels is apparent from systematic deviations from Porod's law found in the system with small aerosil contents. (c) 2005 Elsevier B.V. All rights reserved.

Increased corticosterone levels in mice subjected to the rat exposure test

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

Effects of temporary calf removal and eCG on pregnancy rates to timed-insemination in progesterone-treated postpartum Nellore cows

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

Chemiluminescence as a PDT light source for microbial control

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

Genetic population data of 12 STR loci of the PowerPlex (R) Y system in the state of São Paulo population (Southeast of Brazil)

Allele frequency distributions and population data for 12 Y-chromosomal short tandem repeats (STRs) included in the PowerPlex (R) Y Systems (Promega) were obtained for a sample of 200 healthy unrelated males living in S (a) over tildeo Paulo State (Southeast of Brazil). A total of 192 haplotypes were identified, of which 184 were unique and 8 were found in 2 individuals. The average gene diversity of the 12 Y-STR was 0.6746 and the haplotype diversity was 0.9996. Pairwise analysis confirmed that our population is more similar with the Italy, North Portugal and Spain, being more distant of the Japan. (c) 2007 Elsevier B.V. All rights reserved.

IgG subclass profile of serum antibodies to Leishmania chagasi in naturally infected and vaccinated dogs

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

The reliability of experts' opinions in constructing a composite environmental index: The case of ESI 2005

The complexity of the environment demands a well-constructed composite environmental index (CEI) to provide a useful tool to draw attention to environmental conditions and trends for policy purposes. Among the common difficulties in constructing a proper CEI are uncertainties due to the selection of the most representative underlying variables or indicators. A degree of uncertainty accompanies experts' judgments, and to deal with vague, subjective or inconsistent information, logic other than classic is required. This study analyzes a procedure that uses different experts' opinions in constructing a CEI. with the use of paraconsistent annotated logic. For this, a sensitivity analysis of the Environmental Sustainability Index (ESI 2005) was used as an example to assess the reliability of experts' opinions. The uncertainty due to the disagreement in experts' opinions clearly indicates that the forms we presently use to measure and monitor the actual environment are insufficient, that is, there is a lack of a "science of sustainability". (C) 2009 Elsevier Ltd. All rights reserved.

Crystal structure of a novel myotoxic Arg49 phospholipase A(2) homolog (zhaoermiatoxin) from Zhaoermia mangshanensis snake venom: Insights into Arg49 coordination and the role of Lys122 in the polarization of the C-terminus

The venom of Zhaoermia mangshanensis, encountered solely in Mt Mang in China's Hunan Province, exhibits coagulant, phosphodiesterase, L-amino acid oxidase, kallikrein, phospholipase A(2) and myotoxic activities. The catalytically inactive PLA(2) homolog referred to as zhaoermiatoxin is highly myotoxic and displays high myonecrotic and edema activities. Zhaoermiatoxin possesses a molecular weight of 13,972 Da, consists of 121 amino-acid residues crosslinked by seven disulfide bridges and shares high sequence homology with Lys49-PLA(2)s from the distantly related Asian pitvipers. However, zhaoermiatoxin possesses an arginine residue at position 49 instead of a lysine, thereby suggesting a secondary Lys49 -> Arg substitution which results in a catalytically inactive protein. We have determined the first crystal structure of zhaoermiatoxin, an Arg49-PLA(2), from Zhaoermia mangshanensis venom at 2.05 A resolution, which represents a novel member of phospholipase A(2) family. In this structure, unlike the Lys49 PLA(2)s, the C-terminus is well ordered and an unexpected non-polarized state of the putative calcium-binding loop due to the flip of Lys122 towards the bulk solvent is observed. The orientation of the Arg-49 side chain results in a similar binding mode to that observed in the Lys49 PLA(2)s; however, the guadinidium group is tri-coordinated by carbonyl oxygen atoms of the putative calcium-binding loop, whereas the N zeta atom of lysine is tetra-coordinated as a result of the different conformation adopted by the putative calcium-binding loop. (c) 2008 Elsevier Ltd. All rights reserved.

Optimal laser control of molecular photoassociation along with vibrational stabilization

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Ecology and conservation of the jacutinga Pipile jacutinga in the Atlantic Forest of Brazil

The jacutinga Pipile jacutinga was formerly one of the most abundant game bird cracids in the Atlantic forest of Brazil. Nowadays this species is vulnerable to extinction due to hunting and habitat loss. The ecology of the jacutinga was studied at Parque Estadual Intervales, Sao Paulo, Brazil from October 1993 to December 1995 and in adjacent areas. Jacutingas were observed to feed mainly on the sugar-rich fruit of 41 species. We recorded a low index of abundance for the jacutinga (0.018) or c.1.7 birds/km2 at Intervales, one of the best protected areas within their range. Surveys carried out in the Atlantic forest of Sao Paulo found jacutinga populations in 14 localities. Probably < 1500 birds survive in the best protected areas. The species' stronghold in southeastern Brazil is in the mountains of Serra de Paranapiacaba, an area protected by several parks suffering from hunting and palm heart harvesting and threatened by a hydroelectric project.

Conformai field theory of AdS background with Ramond-Ramond flux

We review a formalism of superstring quantization with manifest six-dimensional spacetime supersymmetry, and apply it to AdS3 × S3 backgrounds with Ramond-Ramond flux. The resulting description is a conformal field theory based on a sigma model whose target space is a certain supergroup SU′(2|2).

Super-Poincaré covariant quantization of the superstring

Using pure spinors, the superstring is covariantly quantized. For the first time, massless vertex operators are constructed and scattering amplitudes are computed in a manifestly ten-dimensional super-Poincaré covariant manner. Quantizable non-linear sigma model actions are constructed for the superstring in curved backgrounds, including the AdS 5 × S 5 background with Ramond-Ramond flux.