104 resultados para Partial least square regression
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China is an important center of origin for the genus Citrus L. of the family Rutaceae and is rich in wild Citrus species. The taxonomy of Citrus has been a subject of controversy for more than a half century. We propose that the metabolite profiles of Chinese native Citrus species can be used for classification and understanding of the taxonomic relationships within the Citrus germplasm. In this study, triplicate gas chromatography-mass spectrometry (GC-MS) metabolite profiles of 20 Citrus species/varieties were acquired, including 10 native varieties originating in China. R-(+)-limonene, alpha-pinene, sabinene and alpha-terpinene were found to be major characteristic components of the essential oils analyzed in this study, and these compounds contributed greatly to the metabolic classification. The three basic species of the subgenus Eucitrus (Swingle's system), i.e., C. reticulata Blanco, C. medica L. and C. grandis Osb., were clearly differentiated based upon their metabolite profiles using hierarchical cluster analysis (HCA) and partial least square-discriminant analysis (PLS-DA). All the presumed hybrid genotypes, including sweet orange (C. sinensis Osb.), sour orange (C. aurantium L.), lemon (C. limon Burm.f.), rough lemon (C. jambhiri Lush.), rangpur lime (C. limonia Osb.) and grapefruit (C. paradisi Macf.), were grouped closely together with one of their suggested parent species in the HCA-dendrogram and the PLS-DA score plot. These results clearly demonstrated that the metabolite profiles of Citrus species could be utilized for the taxonomic classification of the genus and are complementary to the existing taxonomic evidence, especially for the identification and differentiation of hybrid species.
Mapping of clay, iron oxide and adsorbed phosphate in Oxisols using diffuse reflectance spectroscopy
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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The noteworthy of this study is to predict seven quality parameters for beef samples using time-domain nuclear magnetic resonance (TD-NMR) relaxometry data and multivariate models. Samples from 61 Bonsmara heifers were separated into five groups based on genetic (breeding composition) and feed system (grain and grass feed). Seven sample parameters were analyzed by reference methods; among them, three sensorial parameters, flavor, juiciness and tenderness and four physicochemical parameters, cooking loss, fat and moisture content and instrumental tenderness using Warner Bratzler shear force (WBSF). The raw beef samples of the same animals were analyzed by TD-NMR relaxometry using Carr-Purcell-Meiboom-Gill (CPMG) and Continuous Wave-Free Precession (CWFP) sequences. Regression models computed by partial least squares (PLS) chemometric technique using CPMG and CWFP data and the results of the classical analysis were constructed. The results allowed for the prediction of aforementioned seven properties. The predictive ability of the method was evaluated using the root mean square error (RMSE) for the calibration (RMSEC) and validation (RMSEP) data sets. The reference and predicted values showed no significant differences at a 95% confidence level.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Growth curves models provide a visual assessment of growth as a function of time, and prediction body weight at a specific age. This study aimed at estimating tinamous growth curve using different models, and at verifying their goodness of fit. A total number 11,639 weight records from 411 birds, being 6,671 from females and 3,095 from males, was analyzed. The highest estimates of a parameter were obtained using Brody (BD), von Bertalanffy (VB), Gompertz (GP,) and Logistic function (LG). Adult females were 5.7% heavier than males. The highest estimates of b parameter were obtained in the LG, GP, BID, and VB models. The estimated k parameter values in decreasing order were obtained in LG, GP, VB, and BID models. The correlation between the parameters a and k showed heavier birds are less precocious than the lighter. The estimates of intercept, linear regression coefficient, quadratic regression coefficient, and differences between quadratic coefficient of functions and estimated ties of quadratic-quadratic-quadratic segmented polynomials (QQQSP) were: 31.1732 +/- 2.41339; 3.07898 +/- 0.13287; 0.02689 +/- 0.00152; -0.05566 +/- 0.00193; 0.02349 +/- 0.00107, and 57 and 145 days, respectively. The estimated predicted mean error values (PME) of VB, GP, BID, LG, and QQQSP models were, respectively, 0.8353; 0.01715; -0.6939; -2.2453; and -0.7544%. The coefficient of determination (RI) and least square error values (MS) showed similar results. In conclusion, the VB and the QQQSP models adequately described tinamous growth. The best model to describe tinamous growth was the Gompertz model, because it presented the highest R-2 values, easiness of convergence, lower PME, and the easiness of parameter biological interpretation.
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Neste trabalho foram estudados os efeitos de idade e peso sobre o perímetro escrotal (PE) de touros jovens da raça Nelore e estimados os fatores de correção (FC) do PE para esses efeitos. As informações utilizadas pertencem aos Registros de Produção da Associação Paraguaia dos Criadores de Nelore, obtidos entre 1986 e 1997, de 110 criatórios, totalizando 7458 observações. Os coeficientes de regressão que permitiram o cálculo dos FCs para o PE foram estimados pelo método dos quadrados mínimos, empregando-se um modelo que considerou o grupo contemporâneo (animais nascidos no mesmo ano, estação, rebanho, avaliados na mesma data e do mesmo grupo de manejo alimentar na desmama e no sobreano), o efeito linear da idade em dias e os efeitos linear e quadrático do peso aos 570 dias de idade (P570). O efeito da idade sobre o PE foi igual a 0,0383(±0,0024) cm/dia e do P570 sobre o PE corrigido para essa idade, 0,0708(±0,0049) cm/kg, efeito linear, e -0,0000413(±0,0000074) cm/kg², efeito quadrático. A idade e o peso do animal foram importantes fontes de variação a serem removidas do PE, como indicativo da precocidade sexual de touros de sobreano.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method
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A portable or field test method for simultaneous spectrophotometric determination of calcium and magnesium in water using multivariate partial least squares (PLS) calibration methods is proposed. The method is based on the reaction between the analytes and methylthymol blue at pH 11. The spectral information was used as the X-block, and the Ca(II) and Mg(II) concentrations obtained by a reference technique (ICP-AES) were used as the Y-block. Two series of analyses were performed, with a month's difference between them. The first series was used as the calibration set and the second one as the validation set. Multivariate statistical process control (MSPC) techniques, based on statistics from principal component models, were used to study the features and evolution with time of the spectral signals. Signal standardization was used to correct the deviations between series. Method validation was performed by comparing the predictions of the PLS model with the reference Ca(II) and Mg(II) concentrations determined by ICP-AES using the joint interval test for the slope and intercept of the regression line with errors in both axes. (C) 1998 John Wiley & Sons, Ltd.
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Fifty-nine Nellore bulls from low and high residual feed intake (RFI) levels were studied with the objective of evaluating meat quality traits. Animals were slaughtered when ultrasound-measured backfat thickness reached 4. mm, and samples of Longissimus were collected. A mixed model including RFI as fixed effect and herd and diet as random effects was used, and least square means were compared by t-test. More efficient animals consumed 0.730. kg dry matter/day less than less efficient animals, with similar performance. No significant differences in carcass weight, prime meat cuts proportion, chemical composition, pH, sarcomere length, or color were observed between RFI groups. Shear force, myofibrillar fragmentation index and soluble collagen content were influenced by RFI, with a higher shear force and soluble collagen content and a lower fragmentation index in low RFI animals. Feedlot-finished low RFI young Nellore bulls more efficiently convert feed into meat, presenting carcasses within quality standards. © 2012 Elsevier Ltd.
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Lubricating oils are crucial in the operation of automotive engines because they both reduce friction between moving parts and protect against corrosion. However, the performance of lubricant oil may be affected by contaminants, such as gasoline, diesel, ethanol, water and ethylene glycol. Although there are many standard methods and studies related to the quantification of contaminants in lubricant oil, such as gasoline and diesel oil, to the best of our knowledge, no methods have been reported for the quantification of ethanol in used Otto cycle engine lubrication oils. Therefore, this work aimed at the development and validation of a routine method based on partial least-squares multivariate analysis combined with attenuated total reflectance in the mid-infrared region to quantify ethanol content in used lubrication oil. The method was validated based on its figures of merit (using the net analyte signal) as follows: limit of detection (0.049%), limit of quantification (0.16%), accuracy (root mean square error of prediction=0.089% w/w), repeatability (0.05% w/w), fit (R 2 =0.9997), mean selectivity (0.047), sensitivity (0.011), inverse analytical sensitivity (0.016% w/w-1) and signal-to-noise ratio (max: 812.4 and min: 200.9). The results show that the proposed method can be routinely implemented for the quality control of lubricant oils. © 2013 Elsevier B.V. All rights reserved.
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Pós-graduação em Química - IQ
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Pós-graduação em Agronomia (Energia na Agricultura) - FCA
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)