Determinação do teor de diclofenaco sódico em comprimidos por espectroscopia no infravermelho próximo NIR com calibração multivariada PLS

This work is combined with the potential of the technique of near infrared spectroscopy - NIR and chemometrics order to determine the content of diclofenac tablets, without destruction of the sample, to which was used as the reference method, ultraviolet spectroscopy, which is one of the official methods. In the construction of multivariate calibration models has been studied several types of pre-processing of NIR spectral data, such as scatter correction, first derivative. The regression method used in the construction of calibration models is the PLS (partial least squares) using NIR spectroscopic data of a set of 90 tablets were divided into two sets (calibration and prediction). 54 were used in the calibration samples and the prediction was used 36, since the calibration method used was crossvalidation method (full cross-validation) that eliminates the need for a validation set. The evaluation of the models was done by observing the values of correlation coefficient R 2 and RMSEC mean square error (calibration error) and RMSEP (forecast error). As the forecast values estimated for the remaining 36 samples, which the results were consistent with the values obtained by UV spectroscopy

Espectroscopia no infravermelho próximo e métodos de calibração multivariada aplicados à determinação simultânea de parâmetros bioquímicos em plasma sanguíneo

In this work, the quantitative analysis of glucose, triglycerides and cholesterol (total and HDL) in both rat and human blood plasma was performed without any kind of pretreatment of samples, by using near infrared spectroscopy (NIR) combined with multivariate methods. For this purpose, different techniques and algorithms used to pre-process data, to select variables and to build multivariate regression models were compared between each other, such as partial least squares regression (PLS), non linear regression by artificial neural networks, interval partial least squares regression (iPLS), genetic algorithm (GA), successive projections algorithm (SPA), amongst others. Related to the determinations of rat blood plasma samples, the variables selection algorithms showed satisfactory results both for the correlation coefficients (R²) and for the values of root mean square error of prediction (RMSEP) for the three analytes, especially for triglycerides and cholesterol-HDL. The RMSEP values for glucose, triglycerides and cholesterol-HDL obtained through the best PLS model were 6.08, 16.07 e 2.03 mg dL-1, respectively. In the other case, for the determinations in human blood plasma, the predictions obtained by the PLS models provided unsatisfactory results with non linear tendency and presence of bias. Then, the ANN regression was applied as an alternative to PLS, considering its ability of modeling data from non linear systems. The root mean square error of monitoring (RMSEM) for glucose, triglycerides and total cholesterol, for the best ANN models, were 13.20, 10.31 e 12.35 mg dL-1, respectively. Statistical tests (F and t) suggest that NIR spectroscopy combined with multivariate regression methods (PLS and ANN) are capable to quantify the analytes (glucose, triglycerides and cholesterol) even when they are present in highly complex biological fluids, such as blood plasma

NI-GMRES precondicionado

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Usando a história da resolução de alguns problemas para introduzir conceitos: sistemas lineares, determinantes e matrizes.

In this work we studied the method to solving linear equations system, presented in the book titled "The nine chapters on the mathematical art", which was written in the first century of this era. This work has the intent of showing how the mathematics history can be used to motivate the introduction of some topics in high school. Through observations of patterns which repeats itself in the presented method, we were able to introduce, in a very natural way, the concept of linear equations, linear equations system, solution of linear equations, determinants and matrices, besides the Laplacian development for determinants calculations of square matrices of order bigger than 3, then considering some of their general applications

Adaptação transcultural Portugal-Brasil do Inventário de Burnout de Maslach para estudantes

OBJETIVO: Realizar a adaptação transcultural da versão em português do Inventário de Burnout de Maslach para estudantes e investigar sua confiabilidade, validade e invariância transcultural. MÉTODOS: A validação de face envolveu participação de equipe multidisciplinar. Foi realizada validação de conteúdo. A versão em português foi preenchida em 2009, pela internet, por 958 estudantes universitários brasileiros e 556 portugueses da zona urbana. Realizou-se análise fatorial confirmatória utilizando-se como índices de ajustamento o χ²/df, o comparative fit index (CFI), goodness of fit index (GFI) e o root mean square error of approximation (RMSEA). Para verificação da estabilidade da solução fatorial conforme a versão original em inglês, realizou-se validação cruzada em 2/3 da amostra total e replicada no 1/3 restante. A validade convergente foi estimada pela variância extraída média e confiabilidade composta. Avaliou-se a validade discriminante e a consistência interna foi estimada pelo coeficiente alfa de Cronbach. A validade concorrente foi estimada por análise correlacional da versão em português e dos escores médios do Inventário de Burnout de Copenhague; a divergente foi comparada à Escala de Depressão de Beck. Foi avaliada a invariância do modelo entre a amostra brasileira e a portuguesa. RESULTADOS: O modelo trifatorial de Exaustão, Descrença e Eficácia apresentou ajustamento adequado (χ²/df = 8,498; CFI = 0,916; GFI = 0,902; RMSEA = 0,086). A estrutura fatorial foi estável (λ: χ²dif = 11,383, p = 0,50; Cov: χ²dif = 6,479, p = 0,372; Resíduos: χ²dif = 21,514, p = 0,121). Observou-se adequada validade convergente (VEM = 0,45;0,64, CC = 0,82;0,88), discriminante (ρ² = 0,06;0,33) e consistência interna (α = 0,83;0,88). A validade concorrente da versão em português com o Inventário de Copenhague foi adequada (r = 0,21;0,74). A avaliação da validade divergente do instrumento foi prejudicada pela aproximação do conceito teórico das dimensões Exaustão e Descrença da versão em português com a Escala de Beck. Não se observou invariância do instrumento entre as amostras brasileiras e portuguesas (λ:χ²dif = 84,768, p < 0,001; Cov: χ²dif = 129,206, p < 0,001; Resíduos: χ²dif = 518,760, p < 0,001). CONCLUSÕES: A versão em português do Inventário de Burnout de Maslach para estudantes apresentou adequada confiabilidade e validade, mas sua estrutura fatorial não foi invariante entre os países, apontando ausência de estabilidade transcultural.

Logistic regression analysis of potential prognostic factors for pulmonary thromboembolism

Objective: To identify potential prognostic factors for pulmonary thromboembolism (PTE), establishing a mathematical model to predict the risk for fatal PTE and nonfatal PTE.Method: the reports on 4,813 consecutive autopsies performed from 1979 to 1998 in a Brazilian tertiary referral medical school were reviewed for a retrospective study. From the medical records and autopsy reports of the 512 patients found with macroscopically and/or microscopically,documented PTE, data on demographics, underlying diseases, and probable PTE site of origin were gathered and studied by multiple logistic regression. Thereafter, the jackknife method, a statistical cross-validation technique that uses the original study patients to validate a clinical prediction rule, was performed.Results: the autopsy rate was 50.2%, and PTE prevalence was 10.6%. In 212 cases, PTE was the main cause of death (fatal PTE). The independent variables selected by the regression significance criteria that were more likely to be associated with fatal PTE were age (odds ratio [OR], 1.02; 95% confidence interval [CI], 1.00 to 1.03), trauma (OR, 8.5; 95% CI, 2.20 to 32.81), right-sided cardiac thrombi (OR, 1.96; 95% CI, 1.02 to 3.77), pelvic vein thrombi (OR, 3.46; 95% CI, 1.19 to 10.05); those most likely to be associated with nonfatal PTE were systemic arterial hypertension (OR, 0.51; 95% CI, 0.33 to 0.80), pneumonia (OR, 0.46; 95% CI, 0.30 to 0.71), and sepsis (OR, 0.16; 95% CI, 0.06 to 0.40). The results obtained from the application of the equation in the 512 cases studied using logistic regression analysis suggest the range in which logit p > 0.336 favors the occurrence of fatal PTE, logit p < - 1.142 favors nonfatal PTE, and logit P with intermediate values is not conclusive. The cross-validation prediction misclassification rate was 25.6%, meaning that the prediction equation correctly classified the majority of the cases (74.4%).Conclusions: Although the usefulness of this method in everyday medical practice needs to be confirmed by a prospective study, for the time being our results suggest that concerning prevention, diagnosis, and treatment of PTE, strict attention should be given to those patients presenting the variables that are significant in the logistic regression model.

Carbon nuclear magnetic resonance spectroscopic fingerprinting of commercial gasoline: Pattern-recognition analyses for screening quality control purposes

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Chemometrics in fuel science: demonstration of the feasibility of chemometrics analyses applied to physicochemical parameters to screen solvent tracers in Brazilian commercial gasoline

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

(1)H NMR Fingerprinting of Brazilian Commercial Gasoline: Pattern-Recognition Analyses for Origin Authentication Purposes

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Erosão hídrica pós-plantio em florestas de eucalipto na região centro-leste de Minas Gerais

O objetivo deste trabalho foi avaliar as perdas de solo e água por erosão hídrica, em parcelas-padrão sob chuva natural, no período pós-plantio, em diferentes sistemas de manejo de florestas de eucalipto. O experimento foi instalado em Latossolo Vermelho-Amarelo, muito argiloso, relevo ondulado. As coletas de dados foram realizadas no período de outubro de 2002 a fevereiro de 2004, em eventos de chuva considerada erosiva. Os sistemas estudados foram: mata nativa; pastagem plantada; eucalipto plantado em nível; eucalipto plantado na direção do declive; eucalipto plantado na direção do declive com queima de restos culturais; e solo descoberto. Entre os sistemas florestais, o eucalipto em nível é o que mais se aproxima da mata nativa, em perdas de solo, indicando assim maior sustentabilidade desse sistema. Os maiores valores de perda de água são encontrados no sistema eucalipto plantado na direção do declive com queima de restos culturais, sugerindo que o fogo aumenta a repelência à água e diminui a taxa de infiltração de água no solo. Todos os sistemas de manejo do eucalipto estudados apresentaram perdas de solo inferiores ao limite de tolerância.

Cerâmicas eletrônicas à base de SnO2 e TiO2

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

Short term hydroelectric scheduling combining network flow and interior point approaches

In this paper, short term hydroelectric scheduling is formulated as a network flow optimization model and solved by interior point methods. The primal-dual and predictor-corrector versions of such interior point methods are developed and the resulting matrix structure is explored. This structure leads to very fast iterations since it avoids computation and factorization of impedance matrices. For each time interval, the linear algebra reduces to the solution of two linear systems, either to the number of buses or to the number of independent loops. Either matrix is invariant and can be factored off-line. As a consequence of such matrix manipulations, a linear system which changes at each iteration has to be solved, although its size is reduced to the number of generating units and is not a function of time intervals. These methods were applied to IEEE and Brazilian power systems, and numerical results were obtained using a MATLAB implementation. Both interior point methods proved to be robust and achieved fast convergence for all instances tested. (C) 2004 Elsevier Ltd. All rights reserved.

An adaptation of the dual-affine interior point method for the surface flatness problem

This paper presents an adaptation of the dual-affine interior point method for the surface flatness problem. In order to determine how flat a surface is, one should find two parallel planes so that the surface is between them and they are as close together as possible. This problem is equivalent to the problem of solving inconsistent linear systems in terms of Tchebyshev's norm. An algorithm is proposed and results are presented and compared with others published in the literature. (C) 2006 Elsevier B.V. All rights reserved.

Power analysis applying the instantaneous complex power analytical expressions on a RL symmetrical three-phase system

This paper enhances some concepts of the Instantaneous Complex Power Theory by analyzing the analytical expressions for voltages, currents and powers developed on a symmetrical RL three-phase system, during the transient caused by a sinusoidal voltage excitation. The powers delivered to an ideal inductor will be interpreted, allowing a deep insight in the power phenomenon by analyzing the voltages in each element of the circuit. The results can be applied to the understanding of non-linear systems subject to sinusoidal voltage excitation and distorted currents.

Global optimization approach for the H2-norm model reduction problem

A branch and bound algorithm is proposed to solve the H2-norm model reduction problem for continuous-time linear systems, with conditions assuring convergence to the global optimum in finite time. The lower and upper bounds used in the optimization procedure are obtained through Linear Matrix Inequalities formulations. Examples illustrate the results.