Calibração multivariada de primeira e segunda ordem e figuras de merito na quantificação de enantiomeros por espectroscopia / First and second order multivariate calibration and figures of merit in the quantification of enantiomers by spectroscopy

AUTOR(ES)

Patricia Valderrama

DATA DE PUBLICAÇÃO

2009

RESUMO

First and second order multivariate calibration were developed for the quantification of enantiomers by spectroscopy and b-cyclodextrin guest-host complexes. In the first case, first order multivariate calibration was employed based on partial least square regression (PLS) for the quantification of the chlorpheniramine maleate enantiomers by ultraviolet (UV) and near infrared (NIR) spectroscopy. In the second case, second order multivariate calibration base don parallel factor analysis (PARAFAC) and bilinear least squares (BLLS) was applied for the quantification of the ibuprofen enantiomers by espectrofuorimetry. The ibuprofen enantiomers were, also, quantified in human plasma and urine samples by second order standard addition method (SOSAM). The third case, PLS was used for quantification of the propranolol enantiomers by UV, NIR, middle infrared and fluorescence spectroscopy. Second order multivariate calibration with PARAFAC e BLLS were, also, applied in the quantification. Finally, the propranolol enantiomers in human plasma and urine samples were analysed by SOSAM method. The proposed methods were validated through figures of merit calculation and compared with reference method as high performance liquid chromatography (HPLC). The results for the proposed methods do not presented significative difference, in conformity with statistic tests. The proposed methods using chemometrics and spectroscopy for the enantiomers quantification showed fast, efficient, with good precision and sensibility being an alternative to standard methods.

ASSUNTO(S)

calibração multivariada enantiomers multivariate calibration figuras de merito enantiomeros figures of merit spectroscopy espectroscopia

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