title: Multicomponent determination of pesticides in vegetables by gas chromatography with mass spectrometric detection and multivariate calibration.
abstract: Three multivariate calibration methods, partial least squares (PLS-1 and PLS-2) and principal component regression (PCR), were applied for the first time to the simultaneous determination of a mixture of six pesticides in vegetables samples by gas chromatography with mass spectrometric detection (GC-MS). PLS-1 method showed better prediction ability than PLS-2 and PCR methods. The GC-MS chromatograms obtained of vegetable samples spiked with the target pesticides were used to build the calibration matrix. The PLS-1 models were evaluated by predicting the concentrations of independent test samples. Also, the proposed models were successfully applied for the determination of these pesticides in vegetable samples after an extraction step with dichloromethane. By using the first derivative signals in PLS-1 models, simultaneous determination of the compounds was not improved.
authors.affiliation: Department of Hydrogeology and Analytical Chemistry, University of Almeria, 04071 Almeria, Spain.
authors.forename: A
authors.initials: A
authors.lastname: Garrido Frenich
authors.forename: F J
authors.initials: FJ
authors.lastname: Arrebola Liébanas
authors.forename: M
authors.initials: M
authors.lastname: Mateu-Sánchez
authors.forename: J L
authors.initials: JL
authors.lastname: Martı́nez Vidal