A structure-activity relationship study of quinone compounds with trypanocidal activity

A set of 25 quinone compounds with anti-trypanocidal activity was studied by using the density functional theory (DFT) method in order to calculate atomic and molecular properties to be correlated with the biological activity. The chemometric methods principal component analysis (PCA), hierarchical cluster analysis (HCA), stepwise discriminant analysis (SDA), Kth nearest neighbor (KNN) and soft independent modeling of class analogy (SIMCA) were used to obtain possible relationships between the calculated descriptors and the biological activity studied and to predict the anti-trypanocidal activity of new quinone compounds from a prediction set. Four descriptors were responsible for the separation between the active and inactive compounds: T-5 (torsion angle), QTS1 (sum of absolute values of the atomic charges), VOLS2 (volume of the substituent at region B) and HOMO-1 (energy of the molecular orbital below HOMO). These descriptors give information on the kind of interaction that occurs between the compounds and the biological receptor. The prediction study was done with a set of three new compounds by using the PCA, HCA, SDA, KNN and SIMCA methods and two of them were predicted as active against the Trypanosoma cruzi. (c) 2005 Elsevier SAS. All rights reserved.

Chemical composition of flavonoids and styrylpyrones and the genetic variability of isozymes in natural populations of Cryptocarya mandioccana Meisner (Lauraceae)

The chemical composition of leaves of 57 trees of Cryptocarya mandioccana from three populations of southeastern Brazil was investigated through HPLC, assaying six flavonoids, seven styrylpyrones, and seven unidentified compounds. From 51 of the former trees, genotypes were obtained from 40 polymorphic loci of 19 isozymes. Cluster analyses of the phytochemical and genetical variation revealed that trees exhibited four chemotypes and five clusters from isozymes, respectively. Discriminant analyses from selected variables of the isozymic and chemical data sets were performed, respectively, in relation to the four chemotypes and the five isozyme clusters. The classification of individuals presented respective error estimates of 9.16% and 13.57%, indicating that the genetic data could explain the clusters from chernotypes and vice versa at acceptable error levels. Linear regressions with Dummy variable showed significant association of locus Skdh-2 with quercetin-3-O-beta-D-glucopyranoside and cryptofolione, indicating that its alleles would be responsible for the chemotype variation between individuals. (c) 2006 Elsevier Ltd. All rights reserved.

Screening Brazilian C gasoline quality: Application of the SIMCA chemometric method to gas chromatographic data

A total of 2400 samples of commercial Brazilian C gasoline were collected over a 6-month period from different gas stations in the São Paulo state, Brazil, and analysed with respect to 12 physicochemical parameters according to regulation 309 of the Brazilian Government Petroleum, Natural Gas and Biofuels Agency (ANP). The percentages (v/v) of hydrocarbons (olefins, aromatics and saturated) were also determined. Hierarchical cluster analysis (HCA) was employed to select 150 representative samples that exhibited least similarity on the basis of their physicochemical parameters and hydrocarbon compositions. The chromatographic profiles of the selected samples were measured by gas chromatography with flame ionisation detection and analysed using soft independent modelling of class analogy (SIMCA) method in order to create a classification scheme to identify conform gasolines according to ANP 309 regulation. Following the optimisation of the SIMCA algorithm, it was possible to classify correctly 96% of the commercial gasoline samples present in the training set of 100. In order to check the quality of the model, an external group of 50 gasoline samples (the prediction set) were analysed and the developed SIMCA model classified 94% of these correctly. The developed chemometric method is recommended for screening commercial gasoline quality and detection of potential adulteration. (c) 2007 Elsevier B.V. All rights reserved.

RAPD genomic fingerprinting differentiates Thiobacillus ferrooxidans strains

The PCR-based technique, involving the random amplification of polymorphic DNA (RAPD), was optimized and used for assessing genomic variability among eight Thiobacillus ferrooxidans strains. RAPD fingerprints presented variation for the thirty primers used, giving a total of 269 polymorphic bands. Similarity coefficients between the strains were calculated, and UPGMA cluster analysis was used to generate a dendrogram showing relationships among them. Most primers divided T. ferrooxidans strains in two distinct groups - Group 1: S, SSP, V3, AMF and Group 2: CMV, FG-460, I-35, LR. We observed that the T. ferrooxidans strains used in this work have a high degree of genomic diversity and that RAPD is a powerful method to differentiate them.

Fatores genéticos e de Meio na idade ao primeiro parto de caprinos leiteiros

Data on age at first kidding (IPP) were collected on seven farms in the Brazilian Southeastern region which explored breds. Least squares (LS) were used to evaluate the effects of environmental factors and to estimate variance components, and the derivative-free restricted maximum likelihood (DFREML) method was used to estimate the variance components of IPP and to genetically evaluate the goats used in the southest region of Brazil. The LS mean and standard error of IPP were 607.18 +/- 17.09 days. The interaction of year x kidding season had a significantly influenced IPP, indicating that management conditions varied among the seasons within each specific year, with a direct influence on body weight which is the main criterion adopted by farmers to decide when the animal is ready to breed. The effect of farm-breed combination influenced the IPP. The compararison among levels of farm-breed were done by cluster analysis. The results indicated that the individual goat management within each farm had a greater influence than breed, since goats of different breeds showed high and similar values on those farms having a high mean IPP. Heritability estimates obtained by LS using intraclass correlations among paternal half-sibs and those obtained by REML were 0.220 and 0.369, respectively.

Developing a research agenda for promoting physical activity in Brazil through environmental and policy change

Objective. To identify the highest priorities for research on environmental and policy changes for promoting physical activity (PA) in Brazil; to uncover any gaps between researchers' and practitioners' priorities; and to consider which tools, methods, collaborative strategies, and actions could be useful to moving a research agenda forward.Methods. This was a mixed-methods study (qualitative and quantitative) conducted by Project GUIA (Guide for Useful Interventions for Activity in Brazil and Latin America) in February 2010-January 2011. A total of 240 individuals in the PA field (186 practitioners and 54 researchers) were asked to generate research ideas; 82 participants provided 266 original statements from which 52 topics emerged. Participants rated topics by "importance" and "feasibility;" a separate convenience sample of 21 individuals categorized them. Cluster analysis and multidimensional scaling were used to create concept maps and pattern matches.Results. Five distinct clusters emerged from the concept mapping, of which " effectiveness and innovation in PA interventions" was rated most important by both practitioners and researchers. Pattern matching showed a divergence between the groups, especially regarding feasibility, where there was no consensus.Conclusions. The study results provided the basis for a research agenda to advance the understanding of environmental and policy influences on PA promotion in Brazil and Latin America. These results should stimulate future research and, ultimately, contribute to the evidence-base of successful PA strategies in Latin America.

Fruit maturation as a parameter for selection of sweet orange cultivars in Brazil

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Increased Levels of NOTCH1, NF-kappa B, and Other Interconnected Transcription Factors Characterize Primitive Sets of Hematopoietic Stem Cells

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

Gene expression in placentation of farm animals: An overview of gene function during development

Eutherian mammals share a common ancestor that evolved into two main placental types, i.e., hemotrophic (e.g., human and mouse) and histiotrophic (e.g., farm animals), which differ in invasiveness. Pregnancies initiated with assisted reproductive techniques (ART) in farm animals are at increased risk of failure; these losses were associated with placental defects, perhaps due to altered gene expression. Developmentally regulated genes in the placenta seem highly phylogenetically conserved, whereas those expressed later in pregnancy are more species-specific. To elucidate differences between hemotrophic and epitheliochorial placentae, gene expression data were compiled from microarray studies of bovine placental tissues at various stages of pregnancy. Moreover, an in silico subtractive library was constructed based on homology of bovine genes to the database of zebrafish - a nonplacental vertebrate. In addition, the list of placental preferentially expressed genes for the human and mouse were collected using bioinformatics tools (Tissue-specific Gene Expression and Regulation [TiGER] - for humans, and tissue-specific genes database (TiSGeD) - for mice and humans). Humans, mice, and cattle shared 93 genes expressed in their placentae. Most of these were related to immune function (based on analysis of gene ontology). Cattle and women shared expression of 23 genes, mostly related to hormonal activity, whereas mice and women shared 16 genes (primarily sexual differentiation and glycoprotein biology). Because the number of genes expressed by the placentae of both cattle and mice were similar (based on cluster analysis), we concluded that both cattle and mice were suitable models to study the biology of the human placenta. (C) 2011 Elsevier B.V. All rights reserved.

An objective reconstruction of the chain of contagion

North's clustering method, which is based on a much used ecological model, the nearest neighbor distance, was applied to the objective reconstruction of the chain of household-to-household transmission of variola minor (the mild form of smallpox). The discrete within-household outbreaks were considered as points which were ordered in a time sequence using a 10-40 day interval between introduction of the disease into a source household and a receptor household. The closer points in the plane were assumed to have a larger probability of being links of a chain of household-to-household spread of the disease. The five defining distances (Manhattan or city-block distance between presumptive source and receptor dwellings) were 100, 200, 300, 400 and 500 m. The subchain sets obtained with the five defining distances were compared with the subchains empirically reconstructed during the field study of the epidemic through direct investigation of personal contacts of the introductory cases with either introductory or subsequent cases from previously affected households. The criteria of fit of theoretical to empirical clusters were: (a) the number of clustered dwellings and subchains, (b) number of dwellings in a subchain and (c) position of dwellings in a subchain. The defining distance closet to the empirical findings was 200 m, which fully agrees with the travelling habits of the study population. Less close but acceptable approximations were obtained with 100, 300, 400 and 500 m. The latter two distances gave identical results, as if a clustering ceiling had been reached. It seems that North's clustering model may be used for an objective reconstruction of the chain of contagious whose links are discrete within-household outbreaks. © 1984.

Estudo da influencia do relevo nos dados de reflectancia da superficie do terreno atraves de imagens Landsat.

Presents a study of the spectral response of a specific vegetative cover under the same soil elevation angle, but in different classes of slope, through Landsat transparencies. The site located in the region of Presidente Prudente was studied through topo sheets to define the classes of slope. Densitometric readings were obtained of selected areas, representing the terrain reflectance in different relief conditions. The cluster analysis was used to classify the densitometric data according to the classes of slope. The map of classes of slope/reflectance of the terrain surface showed a high correlation, mainly for the classes A (0-10%) and B (10-20%). -from English summary

Aplicativos computacionais para geografia: classificacao multivariada por agrupamento

This paper presents a method for multidimensional classification (Cluster Analysis), as well as a 8 bits microcomputer program in BASIC that automates the process. A practical application of the model is also presented. -English summary

Uso de macroalgas para avaliação da Poluição orgânica no Rio Preto, noroeste do estado de São Paulo.

The Preto River, located in the northwest of São Paulo State, receives a total wastewater load of 15.150 kg DBO day-1, from which 13.685 kg DBO day-1 (90.5%) corresponds to domestic sewage, and the city of São José do Rio Preto contributes with 12.400 kg DBO day-1 (90% of domestic sewage). During the period from August 1990 through January 1991, monthly sampling was carried out to evaluate the use of macroalgae as bioindicator of organic pollution. Five sampling sites were established along the main river and the following variables were analised: temperature, conductance, turbidity, dissolved oxygen, BOD, COD, total and fecal coliforms, and composition and abundance of macroalgal communities. Data were submitted to analysis of variance, correlation coefficient, cluster analysis (four different approaches) and converted to biological indices (species deficit, relative pollution, saprobity, diversity and uniformity indices). A wide range in water quality was found (particularly for conductance, oxygen, BOD and COD) among the sampling sites, which were classified into three groups (polluted, moderately polluted and unpolluted/weakly polluted). As regards the occurrence and abundance of macroalgae the Rhodophyta were found only in unpolluted or weakly polluted sites, whereas Cyanophyta occurred mostly under high pollution load; the Chlorophyta species were observed under a wide range of conditions. Among the biological indices, saprobity was the most sensitive and correlated to all water variables and the other indices. Cluster analyses showed that the composition of macroalgal communities was consistent with the levels of organic pollution in the Preto River.

Análise estrutural e aspectos do mosaico sucessional de uma floresta semidecídua em Botucatu, SP

The objective of the present paper was to study the structure of a semi-deciduous forest. The main purpose was to verify if the floristic composition and/or structure is influenced by the mosaic developmental phase. The study has been done in 200 plots, each one measuring 10 × 10 m, forming a grid of 200m × 100 m in the center of the forest fragment. In to separate the study area in units representing different phases of forest mosaic (gap, construction and mature), the plots were classified by cluster analysis based on structural traits. The species with the highest influence the community structure were Aspidosperma polyneuron, Trichilia claussenii and Trichilia catigua.Gap, construction and mature phases presented different patterns in spite of the three species influence.

Distribution and abundance of four caiman species (Crocodylia: Alligatoridae) in Jaú National Park, Amazonas, Brazil

Jaú National Park is a large rain forest reserve that contains small populations of four caiman species. We sampled crocodilian populations during 30 surveys over a period of four years in five study areas. We found the mean abundance of caiman species to be very low (1.0 ± 0.5 caiman/km of shoreline), independent of habitat type (river, stream or lake) and season. While abundance was almost equal, the species' composition varied in different waterbody and study areas. We analysed the structure similarity of this assemblage. Lake and river habitats were the most similar habitats, and inhabited by at least two species, mainly Caiman crocodilus and Melanosuchus niger. However, those species can also inhabit streams. Streams were the most dissimilar habitats studied and also had two other species: Paleosuchus trigonalus and P. palpebrosus. The structure of these assemblage does not suggest a pattern of species associated and separated by habitat. Trends in species relationships had a negative correlation with species of similar size, C. crocodilus and P. trigonatus, and an apparent complete exclusion of M. niger and P. trigonatus. Microhabitat analysis suggests a slender habitat partitioning: P. trigonatus was absent from river and lake lgapo (flooded forest), but frequent in stream Igapó. This species was the most terrestrial and found in microhabitats similar to C crocodilus (shallow waters, slow current). Melanosuchus niger inhabits deep, fast moving waters in different study areas Despite inhabiting the same waterbodies in many surveys, M. niger and C. crocodilus did not share the same microhabitats. Paleosuchus palpebrosus was observed only in running waters and never in stagnant lake habitats. Cluster analysis revealed three survey groups: two constitute a mosaic in floodplains. (a) a cluster with both M. niger and C crocodilus, and another (b) with only C. crocodilus. A third cluster (c) included more species, and the presence of Paleosuchus species. There was no significant difference among wariness of caimans between disturbed and undisturbed localities. However, there was a clear trend to increase wariness during the course of consecutive surveys at four localities, suggesting that we, more than local inhabitants, had disturbed caimans. The factors that are limiting caiman populations can be independent of human exploitation. Currently in Amazonia, increased the pressure of hunting, habitat loss and habitat alteration, and there is no evidence of widespread recovery of caiman populations. In large reserves as Jaú without many disturbance, most caiman populations can be low density, suggesting that in blackwater environments their recovery from exploitation should be very slow.