Multivariate calibrations in gas chromatographic profiles for prediction of several physicochemical parameters of Brazilian commercial gasoline

Several Brazilian commercial gasoline physicochemical parameters, such as relative density, distillation curve (temperatures related to 10%, 50% and 90% of distilled volume, final boiling point and residue), octane numbers (motor and research octane number and anti-knock index), hydrocarbon compositions (olefins, aromatics and saturates) and anhydrous ethanol and benzene content was predicted from chromatographic profiles obtained by flame ionization detection (GC-FID) and using partial least square regression (PLS). GC-FID is a technique intensively used for fuel quality control due to its convenience, speed, accuracy and simplicity and its profiles are much easier to interpret and understand than results produced by other techniques. Another advantage is that it permits association with multivariate methods of analysis, such as PLS. The chromatogram profiles were recorded and used to deploy PLS models for each property. The standard error of prediction (SEP) has been the main parameter considered to select the "best model". Most of GC-FID-PLS results, when compared to those obtained by the Brazilian Government Petroleum, Natural Gas and Biofuels Agency - ANP Regulation 309 specification methods, were very good. In general, all PLS models developed in these work provide unbiased predictions with lows standard error of prediction and percentage average relative error (below 11.5 and 5.0, respectively). (C) 2007 Elsevier B.V. All rights reserved.

Community structure and comparative analysis of the woody component of a cerrado remnant in Southeastern Brazil

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Técnicas multivariadas na determinação da diversidade genética em gergelim usando marcadores RAPD

O objetivo deste trabalho foi comparar diferentes técnicas multivariadas na caracterização de 35 genótipos de gergelim mediante 769 marcadores RAPD. As distâncias genéticas foram obtidas pelo complemento aritmético do coeficiente de Jaccard e agrupadas pelos métodos hierárquicos do vizinho mais próximo, do vizinho mais distante, das médias aritméticas não ponderadas (UPGMA), do método de otimização de Tocher e análises de coordenadas principais. O agrupamento dos genótipos foi alterado em função dos diferentes métodos usados. Adotando-se a mesma distância genética (0,36) como valor de corte, diferenciaram-se quatro grupos no método do vizinho mais próximo, 13 para o vizinho mais distante, 11 no UPGMA e quatro no Tocher. Entre os métodos hierárquicos, o UPGMA apresentou o melhor ajuste das distâncias originais e estimadas (CCC = 0,89). As análises das coordenadas principais confirmaram a baixa diversidade existente entre os genótipos. A maior divergência ocorreu entre as cultivares Seridó 1 e Arawaca 4, e a menor, entre os genótipos VCR-101 e GP-3314. As três primeiras coordenadas principais contabilizaram 35,13% do total da variabilidade, e 18 autovalores foram necessários para explicar 81% da variação genética. Os métodos UPGMA, de otimização de Tocher, e as análises de coordenadas principais são complementares na formação dos grupos.

Production and body composition traits of broilers in relation to breast weight evaluated by path analysis

O peso do peito possui grande importância econômica na indústria de frangos, podendo estar associado a outras variáveis passíveis de seleção. Estimaram-se correlações fenotípicas entre características de desempenho (peso vivo aos 7, 28 dias e ao abate e profundidade de músculo peitoral por ultra-sonografia), carcaça (peso eviscerado e de pernas) e composição corporal (peso do coração, do fígado e da gordura abdominal), em uma linhagem de frangos, e quantificou-se a influência direta e indireta destas variáveis sobre o peso do peito. Para tanto, utilizou-se a análise de trilha, desdobrando-se a matriz de correlações parciais em coeficientes que forneceram a influência direta de uma variável sobre a outra, independentemente das demais. A manutenção das variáveis peso vivo ao abate e peso eviscerado na matriz de correlações pode ser prejudicial à análise estatística que envolve os sistemas de equações normais, como a análise de trilha, devido à multicolinearidade observada. O peso vivo ao abate e a profundidade do músculo peitoral por ultra-sonografia apresentaram efeitos diretos importantes sobre o peso de peito e foram identificadas como as principais responsáveis pela magnitude dos coeficientes de correlação obtidos. Assim, uma pré-seleção individual para estas características pode favorecer um aumento no peso de peito nesta linhagem, se mantidas as condições ambientais de criação dos frangos, uma vez que o peso vivo ao abate e a profundidade de músculo peitoral por ultra-sonografia afetam fenotipicamente e diretamente o peso de peito.

PHYLOGENETIC STUDIES OF SOME SPECIES OF THE GENUS COFFEA .1. NUMERICAL-ANALYSIS OF FLAVONOID COMPOUNDS

Flavonoid compounds were analyzed in ripe fruit pulp of ten species of Coffea, including two cultivars of C. arabica and two of C. canephora. Three coefficients of similarity: Simple-Matching, Jaccard and Ochiai and three different clustering methods, Single Linkage, Complete Linkage and Unweighted Pair Group, Using Arithmetic Averages (UPGMA), were used to analyze the data.Jaccard and Ochiai's coefficients of association showed a more coherent result, when compared with taxonomic and hybridization studies. Inclusion of Psilanthopsis kapakata in the genus Coffea, as C. kapakata, is justified by the similarity of this species with other studied species, and clusters clearly approximate the species C. arabica and C. eugenioides. The latter is one of the possible parents of the allotetraploid species C. arabica, C. congensis is the only species whose position remains ambiguous, probably due to the fact that the plants of this species that were introduced into the Campinas collections, were hybrids and not typical of C. congensis.

Evolution and population structure of africanized honey bees in Brazil: Evidence from spatial analysis of morphometric data

In recent years, studies based on isoenzymatic patterns of geographic variation have revealed that what is usually called the Africanized honey bee does not constitute a single population. Instead, several local populations exist with various degrees of admixture with European honey bees. In this paper, we evaluated new data on morphometric patterns of Africanized honey bees collected at 42 localities in Brazil, using univariate and multivariate (canonical) trend surface and spatial autocorrelation analyses. The clinal patterns of variation found for genetically independent characters (wing size characters and some wing venation angles) are concordant with previous studies of malate dehydrogenase (MDH) allelic frequencies and support the hypothesis that larger honey bees in southern and southeastern Brazil originated by racial admixture in the initial phases of African honey bee colonization. Geographic variation patterns of Africanized honey bee populations reflect a demic diffusion process in which European genes were gradually lost because of the higher fitness of the African gene pool in Neotropical environmental conditions.

Multivariate quality control studies applied to Ca(II) and Mg(II) determination by a portable method

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.

Integrated assessment of multilevel biomarker responses and chemical analysis in Mussels from Sao Sebastiao, São Paulo, Brazil

The aim of the present study was to investigate the presence of contaminants in the mussel Perna perna from Sao Sebastiao Channel, São Paulo, Brazil, and to evaluate the effects of these contaminants on these organisms at biochemical (catalase [CAT], glutathione-S-transferase [GST], and cholinesterase [ChE]), cellular (neutral red retention time [NRRT] assay), and physiological (cardiac monitoring) levels. Two sampling surveys were performed (winter of 2001 and summer of 2002) at six stations along the channel: Cigarras, station 1; late Clube de Ilhabela, station 2; Oil Terminal, station 3; Toque Toque, station 4; Ponta da Sela, station 5 (reference station); and Taubate, station 6. Differences in CAT activity were observed between mussels from stations 3 and 5 during the winter, but no differences were detected in the summer. No differences in GST activity were found among stations during the winter, although animals from station 3 showed higher activity during the summer. The ChE activity was significantly higher in the mussels from stations I and 2 during the winter and from stations I and 3 during the summer. Organisms from stations I through 4 showed statistically lower NRRT in both seasons. Similar heart rates were observed in the mussels from all stations. Hydrocarbons were detected in organisms from all the stations in both seasons. During the winter, higher polycyclic aromatic hydrocarbon (PAH) levels were observed in organisms from station 3, whereas during the summer, higher levels of metals were found in organisms from stations 1, 3, and 4. The multivariate analyses showed a strong influence of PAHs on the winter biological results, but metals showed higher influence on these responses in the summer, indicating multiple contaminant sources.

Two-way regionalized classification of multivariate datasets and its application to the assessment of hydrodynamic dispersion

Zones of mixing between shallow groundwaters of different composition were unravelled by two-way regionalized classification, a technique based on correspondence analysis (CA), cluster analysis (ClA) and discriminant analysis (DA), aided by gridding, map-overlay and contouring tools. The shallow groundwaters are from a granitoid plutonite in the Funda o region (central Portugal). Correspondence analysis detected three natural clusters in the working dataset: 1, weathering; 2, domestic effluents; 3, fertilizers. Cluster analysis set an alternative distribution of the samples by the three clusters. Group memberships obtained by correspondence analysis and by cluster analysis were optimized by discriminant analysis, gridded memberships as follows: codes 1, 2 or 3 were used when classification by correspondence analysis and cluster analysis produced the same results; code 0 when the grid node was first assigned to cluster 1 and then to cluster 2 or vice versa (mixing between weathering and effluents); code 4 in the other cases (mixing between agriculture and the other influences). Code-3 areas were systematically surrounded by code-4 areas, an observation attributed to hydrodynamic dispersion. Accordingly, the extent of code-4 areas in two orthogonal directions was assumed proportional to the longitudinal and transverse dispersivities of local soils. The results (0.7-16.8 and 0.4-4.3 m, respectively) are acceptable at the macroscopic scale. The ratios between longitudinal and transverse dispersivities (1.2-11.1) are also in agreement with results obtained by other studies.

Allometric analysis of the ontogenetic variation and evolution of the skull in Caiman spix, 1825 (Crocodylia: Alligatoridae)

We studied ontogenetic variation in the shape of the skull among species of Caiman using principal component analysis. Comparison of multivariate allometric coefficients and ontogenetic trends between size and shape reveals that C. sclerops and C. yacare have similar ontogenetic processes, and they are more related to each other than either is to C. latirostris. Allometric relationships of the characters measured are similar in all species studied. The greater differences were in the width measurements, with higher coefficients in shape (second principal component) for C. latirostris, and length measurements with higher coefficients in shape for C. yacare and C. sclerops. The ontogenetic process leading to change in skull shape in the group seems to be plesiomorphic for elongation and derived for broadening. Statistical comparison of the ontogenetic trends with models of allometric heterochrony suggests that C. latirostris has diverged from the other species by a neotenic process, and that C. sclerops is separated from C. yacare by ontogenetic scaling (progenesis).

PHYLOGENETIC STUDIES OF SOME SPECIES OF THE GENUS COFFEA .2. NUMERICAL-ANALYSIS OF ISOENZYMATIC DATA

Thirteen species of Coffea were studied for five enzymes systems, including alpha and beta esterase, alkaline phosphatase, acid phosphatase, malate dehydrogenase and acid dehydrogenase. Three coefficients of similarity: Simple Matching, Jaccard and Ochiai and three different clustering methods: Single Linkage, Complete Linkage and Unweighted Pair Group, using Arithmetic Averages (UPGMA) were used to analyse the data.The phylogenetic relationships among the twelve diploid species and between them and the tetraploid species C. arabica showed that similarity among species of the same subsection is not always greater than among species of different subsections. In addition, although there are several similarity groups in common, established by isoenzymatic polymorphism, morphological characteristics, chemical data, crossability and geographic distribution, there is no common trend among the phylogenetic relationships as indicated by all these different evaluating procedures.

GEOGRAPHIC-VARIATION IN APIS-CERANA-INDICA F - A SPATIAL AUTOCORRELATION ANALYSIS OF MORPHOMETRIC PATTERNS

Spatial patterns of morphometric variation in Apis cerana indica were analysed. Factor and spatial autocorrelation analyses were applied to 29 characters, measured in 17 populations in India. Correlograms showed that 15 characters are patterned geographically, and 13 of them are related to overall size. These characters are distributed as a north-south cline, probably reflecting adaptations to environmental conditions. However, the great number of characteristics without geographical pattern suggests that part of the morphometric variability is due to local stochastic divergences.

Analysis of various conditions in order to measure electromyography of isometric contractions in water and on air

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Elicitation of multivariate prior distributions: A nonparametric Bayesian approach

In the context of Bayesian statistical analysis, elicitation is the process of formulating a prior density f(.) about one or more uncertain quantities to represent a person's knowledge and beliefs. Several different methods of eliciting prior distributions for one unknown parameter have been proposed. However, there are relatively few methods for specifying a multivariate prior distribution and most are just applicable to specific classes of problems and/or based on restrictive conditions, such as independence of variables. Besides, many of these procedures require the elicitation of variances and correlations, and sometimes elicitation of hyperparameters which are difficult for experts to specify in practice. Garthwaite et al. (2005) discuss the different methods proposed in the literature and the difficulties of eliciting multivariate prior distributions. We describe a flexible method of eliciting multivariate prior distributions applicable to a wide class of practical problems. Our approach does not assume a parametric form for the unknown prior density f(.), instead we use nonparametric Bayesian inference, modelling f(.) by a Gaussian process prior distribution. The expert is then asked to specify certain summaries of his/her distribution, such as the mean, mode, marginal quantiles and a small number of joint probabilities. The analyst receives that information, treating it as a data set D with which to update his/her prior beliefs to obtain the posterior distribution for f(.). Theoretical properties of joint and marginal priors are derived and numerical illustrations to demonstrate our approach are given. (C) 2010 Elsevier B.V. All rights reserved.