Soil profile, relief features and their relation to structure and distribution of Brazilian Atlantic rain forest trees

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

Relation between antioxidant activity and electronic structure of Phenols

We describe a new physicochemical descriptor of the antioxidant activity of phenols, the energy difference between the two highest occupied molecular orbitals, which we believe will improve quantitative structure-activity relationship studies about these compounds. (C) 2003 Wiley Periodicals, Inc.

Effects of physical habitat degradation on the stream fish assemblage structure in a pasture region

We compared the fish assemblage structure from streams with different intensities of physical habitat degradation and chemical water pollution by domestic sewage in southeastern Brazil. Eight streams (R1-R8) showing less disturbed or more disturbed conditions of chemical water quality and of physical habitat quality were selected. Cumulative abundance and biomass, combined in ABC plots, revealed (i) biomass curves above the abundance curves, represented by the streams R1-R2 (water and habitat less disturbed) and R5-R6 (water more disturbed and habitat less disturbed), and (ii) biomass curves below the abundance curves, represented by the streams R3-R4 (water less disturbed and habitat more disturbed) and R7-R8 (water and habitat more disturbed). The quantitative structure of the ichthyofauna showed significant correspondence with physical habitat condition but not with chemical water quality. The most significant species to cause the dissimilarity between less disturbed and more disturbed physical habitats was the exotic Poecilia reticulata. Such results indicate that in the focused region-with little influence of industrial pollution, noncritical domestic sewage discharge, and soil predominantly used for pasture-streams with high physical habitat integrity possess a differently structured ichthyofauna than streams with relatively low physical habitat integrity, reinforcing the importance of the physical habitat quality and riparian conservation along these water courses, warranting the conservation of these systems. Indeed, our results also reinforce the importance of including biotic descriptors, particularly of the ichthyo-fauna, in water-monitoring programs designed to reveal signs of human interference.

Structure and feeding of a stream fish assemblage in southeastern Brazil: evidence of low seasonal influences

Aim: The present study was developed in a deforested stream located in a region that exhibits marked seasonality with the purpose to investigate whether ecological descriptors of the quantitative structure (i.e., composition, abundance, biomass, species richness, diversity) and feeding of fishes do change between the dry and wet periods. Methods: Sampling was conducted bimonthly from April 2004 to February 2005 by using a standardized effort with electrofishing equipment and environmental variables measurements. Results: We collected 713 fishes belonging to 23 species. The most abundant species were Gymnotus carapo (24.0%) and Poecilia reticulata (23.8%). Species richness, abundance, and biomass showed to be higher in the wet period, but these differences were not significant and did not influence the multivariate pattern of the assemblage (ANOSIM, R = 0.148). Nevertheless, average dissimilarity between community structure in the dry and wet periods was 52.7%, mainly due to the differential contribution of P. reticulata, notably more abundant in the wet season, under quasi-hypoxic water conditions. Examination of 333 gastric contents of 12 species evidenced that food variety was higher in the dry period. of these species, 67% (Astyanax altiparanae, Astyanax fasciatus, Geophagus brasiliensis, Gymnotus carapo, Hypostomus ancistroides, Phalloceros harpagos, Poecilia reticulata, and Rhamdia quelen) kept the diet throughout the year, being classified in the same trophic groups in both periods, and detritus was the most important item for half of them, followed by aquatic insects. Overall, no significant differences in the community's diet between periods were registered (ANOSIM, R = [long dash]0.04). Conclusions: This relative constancy suggests a quite regular availability of resources (mainly shelters in submerged marginal grasses and detritus) along the year.

Influência da estrutura do hábitat sobre a ictiofauna de um riacho em uma micro-bacia de pastagem, São Paulo, Brasil

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

Toxicidade de fármacos nitrofurânicos

During the structural designing of new drugs, it is possible predict the influence of specific chemical groups on pharmacological activity. Among these, the nitro group has potential antiparasitic activity, being present in many antimicrobial drugs, such as metronidazole, nitrofurazone, furazolidone, oxamniquine and chloramphenicol. Also, the introduction of the nitro group into a molecule can modify the physicochemical and electronic properties of the substance. Besides antimicrobial drugs, this group is also found in other drug classes, such as antiulcer, anti-inflamatory and anxiolytic. However, the use of the nitro group in drug design has encountered restrictions, due to the associated toxicity. This article is a review of the toxicity of nitrofuran compounds, as well the possible mechanisms involved and the strategy of latentiation by molecular modification to decrease their toxicity.

The correlation between electronic structure and antimalarial activity of tetrahydropyridines

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

Asymmetric post-natal development of superior cervical ganglion of paca (Agouti paca)

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

Photocatalytic decomposition of diclofenac potassium using silver-modified TiO(2) thin films

The effects of silver insertion on the TiO(2) photocatalytic activity for the degradation of diclofenac potassium were reported here. Techniques such as X-ray diffraction, scanning electron microscopy and UV-Vis spectroscopy were used to comprehend the relation between structure and properties of the silver-modified TiO(2), thin films obtained by the sol-gel method. The lattice parameters and the crystallinity of TiO(2) anatase phase were affected by inserted silver, and the film thickness increased about 4 nm for each 1 wt.% of silver inserted. The degradation of diclofenac potassium and by-products reached an efficiency of 4.6 mg(C) W(-1) when the material was modified with silver. Although the first step of degradation involves only the photochemical process related to the loss of the chlorine and hydrogen atoms. This cyclization reaction leads to the formation of intermediate, which degradation is facilitated by the modified material. (C) 2007 Elsevier B.V. All rights reserved.

Influence of the riparian zone phytophysiognomies on the longitudinal distribution of fishes: evidence from a Brazilian savanna stream

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

A partial least squares and principal component regression study of quinone compounds with trypanocidal activity

A quantitative structure-activity relationship (QSAR) study of 19 quinone compounds with trypanocidal activity was performed by Partial Least Squares (PLS) and Principal Component Regression (PCR) methods with the use of leave-one-out crossvalidation procedure to build the regression models. The trypanocidal activity of the compounds is related to their first cathodic potential (Ep(c1)). The regression PLS and PCR models built in this study were also used to predict the Ep(c1) of six new quinone compounds. The PLS model was built with three principal components that described 96.50% of the total variance and present Q(2) = 0.83 and R-2 = 0.90. The results obtained with the PCR model were similar to those obtained with the PLS model. The PCR model was also built with three principal components that described 96.67% of the total variance with Q(2) = 0.83 and R-2 = 0.90. The most important descriptors for our PLS and PCR models were HOMO-1 (energy of the molecular orbital below HOMO), Q4 (atomic charge at position 4), MAXDN (maximal electrotopological negative difference), and HYF (hydrophilicity index).

A partial least squares regression study with antioxidant flavonoid compounds

The quantitative structure-activity relationship of a set of 19 flavonoid compounds presenting antioxidant activity was studied by means of PLS (Partial Least Squares) regression. The optimization of the structures and calculation of electronic properties were done by using the semiempirical method AMI. A reliable model (r(2) = 0.806 and q(2) = 0.730) was obtained and from this model it was possible to consider some aspects of the structure of the flavonoid compounds studied that are related with their free radical scavenging ability. The quality of the PLS model obtained in this work indicates that it can be used in order to design new flavonoid compounds that present ability to scavenge free radicals.

Developing descriptors to predict mechanical properties of nanotubes

Descriptors and quantitative structure property relationships (QSPR) were investigated for mechanical property prediction of carbon nanotubes (CNTs). 78 molecular dynamics (MD) simulations were carried out, and 20 descriptors were calculated to build quantitative structure property relationships (QSPRs) for Young's modulus and Poisson's ratio in two separate analyses: vacancy only and vacancy plus methyl functionalization. In the first analysis, C N2/CT (number of non-sp2 hybridized carbons per the total carbons) and chiral angle were identified as critical descriptors for both Young's modulus and Poisson's ratio. Further analysis and literature findings indicate the effect of chiral angle is negligible at larger CNT radii for both properties. Raman spectroscopy can be used to measure CN2/C T, providing a direct link between experimental and computational results. Poisson's ratio approaches two different limiting values as CNT radii increases: 0.23-0.25 for chiral and armchair CNTs and 0.10 for zigzag CNTs (surface defects <3%). In the second analysis, the critical descriptors were CN2/CT, chiral angle, and MN/CT (number of methyl groups per total carbons). These results imply new types of defects can be represented as a new descriptor in QSPR models. Finally, results are qualified and quantified against experimental data. © 2013 American Chemical Society.

Estudos das propriedades estruturais de análogos substituídos com 'TRP POT.2,7 ou 24' do fragmento com 30 resíduos da região amino-terminal da Esticolisina II

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Gochnatia polymorpha (Less.) Cabrera (Asteraceae) changes in leaf structure due to differences in light and edaphic conditions

Gochnatia polymorpha (Less.) Cabrera é uma espécie de Asteraceae com ampla distribuição no bioma cerrado, sendo encontrada em diversas fisionomias florestais da região sudeste do Brasil. O presente estudo descreve alguns caracteres anatômicos foliares dessa espécie e os analisa quantitativamente em função de sua ocorrência nas formações florestais e também das diferenças de luminosidade. Foram encontradas diferenças quantitativas em todos os parâmetros anatômicos analisados. Os resultados demonstram que a alta plasticidade anatômica foliar nesta espécie pode ser considerada como uma vantagem adaptativa que a permite ocorrer em diversos ambientes do cerrado.