116 resultados para principal component analysis (PCA)


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

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

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As raças e populações de pupunheiras ao longo dos rios Amazonas e Solimões apresentam grande variabilidade genética ainda não totalmente caracterizada. Neste estudo, foram aplicadas técnicas estatísticas multivariadas a 15 descritores morfológicos numa tentativa de caracterizar, morfometricamente, três raças existentes ao longo da Bacia desses rios. As três análises em conjunto permitiram uma discriminação das raças, mostrando também que os descritores mais importantes nessa seleção foram: número de espigas, comprimento da ráquis, peso do fruto, espessura das cascas, facilidade para descascar os frutos, peso das cascas, sabor dos frutos, espessura da polpa, distância morfológica dos frutos e peso da semente.

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Os lagos de pesca recreativa, pesque-pague, surgiram no Brasil em um cenário agrícola denominado como novo rural brasileiro. Este estudo conduzido no noroeste paulista teve como foco o desempenho produtivo dos lagos de pesca recreativa. Foram feitas visitas mensais a nove empreendimentos de pesca recreativa durante seis meses. A cada visita foi aplicado um questionário contendo 13 indicadores de desempenho. Os dados levantados foram submetidos à análise multivariada (MANOVA), análise de componente principal (ACP) e análise de agrupamento. A MANOVA indicou diferenças significativas entre os lagos de pesca recreativa. A ACP revelou, a partir do coeficiente dos autovalores, três atributos: sistema produtivo, gerenciamento pesqueiro e administração operacional. A análise de agrupamento classificou os lagos de pesca recreativa em quatro grupos. Freqüência de pescadores (FP), densidade de estocagem (DE), biomassa de estocagem (BE), captura total (CT) e captura lago dia (CLD), os quais fazem parte do atributo sistema produtivo, mostrando-se os indicadores mais importantes para a avaliação de desempenho dos lagos de pesca recreativa neste estudo.

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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.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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One of the major problems facing Blast Furnaces is the occurrence of cracks in taphole mud, as the underlying causes are not easily identifiable. The absence of this knowledge makes it difficult the use of conventional techniques for predictability and mitigation. This paper will address the application of Probabilistic Neural Network using the Matlab software as a means to detect and control such cracks. The most relevant BF operational variables were picked through the statistic tool "Principal Component Analysis - PCA." Based upon the selection of these variables a probabilistic neural network was built. A set of BF operational data, consisting of 30 controlling variables, was divided into 2 groups, one of which for network training, and the other one to validate the neural network. The neural network got 98% of the cases right. The results show the effectiveness of this tool for crack prediction in relation to clay intrinsic properties and as a result of the fluctuation in operational variables.

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Four perylene derivatives (PTCD) have been used as transducing materials in taste sensors fabricated with nanostructured Langmuir-Blodgett (LB) films deposited onto interdigitated gold electrodes. The Langmuir monolayers of PTCDs display considerable collapse pressures, with areas per molecule indicative of an edge-on or head-on arrangement for the molecules at the air/water interface. The sensing units for the electronic tongue were produced from 5-layer LB films of the four PTCDs, whose electrical response was characterized with impedance spectroscopy. The distinct responses of the PTCDs, attributed to differences in their molecular structures, allowed one to obtain a finger printing system that was able to distinguish tastes (salty, sweet, bitter and sour) at 1 μM concentrations, which, in some cases, are three orders of magnitude below the human threshold. Using Principal Component Analysis (PCA) data analysis, the electronic tongue also detected trace amounts of a pesticide and could distinguish among samples of ultrapure, distilled and tap water, and two brands of mineral water. © 2004 by American Scientific Publishers. All rights reserved.

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In this work, humic substances were extracted from water samples collected monthly from the Negro River basin in the Amazon state (Brazil) to study their properties in the Amazonian environment and interactions with the mercury ion considering the influence of seasonalness in this formation. The C/H, C/N and C/O atomic ratio parameters, functional groups, concentration of semiquinone-type free radicals, pH, pluviometric and fluviometric indices, and mercury concentrations were interpreted using hierarchical cluster analysis (HCA) and principal component analysis (PCA). The statistical analyses showed that when the pluviometric index was greater and the fluviometric index was smaller, the degree of humification of aquatic substances was greater. The following decreasing order of the degree of humification of the AHS collected monthly was established: Nov/02 to Feb/03 > Mar/02 to May/02 > Jun/02 to Oct/02. The greatest concentrations of mercury were detected in more humidified samples. These results suggest that due to inter and/or intra-molecular rearrangements, the degree of humification of aquatic humic substances is related to its affinity for Hg(II) ions. ©2007 Sociedade Brasileira de Química.