Two multivariate calibration methods, namely principal component regression (PCR) and partial least squares (PLS-2) have been developed, validated and compared for the simultaneous determination of bisphenol-A-diglycidyl ether (BADGE) and some of its reaction products, including BADGE·HCl·H2O, BADGE·H2O and BADGE·2HCl. Chemometrics allowed rapid, accurate and precise simultaneous quantification of the analytes of interest which was not possible by other spectrophotometric methods due to their severe spectral overlap. PCR and PLS-2 techniques successfully quantified BADGE, BADGE·HCl·H2O, BADGE·H2O and BADGE·2HCl in the ranges of 1.4-3.4, 1-5, 1-4.2 and 1-7 μg mL-1, respectively. The constructed models were validated according to the International Conference on Harmonization guidelines and successfully applied for the determination of these compounds in pure form, laboratory prepared mixtures and in various types of canned foods following the limits and regulations of the European Union (EU) where satisfactory recovery results were obtained.
Keywords: Bisphenols; Canned foods; Food contact materials; Multivariate calibration; Partial least squares; Principal component regression.
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