Optimization of a GC/MS procedure that uses parallel factor analysis for the determination of bisphenols and their diglycidyl ethers after migration from polycarbonate tableware

Optimum pH for the determination of bisphenols and their corresponding diglycidyl ethers by gas chromatography–mass spectrometry. Migration kinetics of bisphenol A from polycarbonate glasses

“…As for the spiked migration samples prepared from the resultant simulants after tests 4, 5, 6 and 7 at 70 • C, the value of the average recovery rate of 800 ng L −1 of every analyte was calculated, being the results, respectively, 92.75% for BPF, 90.62% for BPA, 89.29% for BFDGE and 50.14% for BADGE. These values were significantly better than those achieved in [36], particularly for both BFDGE and BADGE, which gives clear proof of the improvement of the experimental method after the optimization of the pH of the samples. The comparison between the percentage recoveries obtained for the diglycidyl ethers suggests that the ring-opening reaction of the epoxide group could have taken place faster for BADGE than for BFDGE, since the recovery was lower for the former.…”

“…The values of the capability of detection, CC␤, estimated for BPA when n = 1, 2 or 3 replicates, are also listed in the last column of Table 8, being the probabilities of false positive (˛) and false negative (ˇ) fixed at 0.05; the generalization of the procedure to estimate CC␤ from multi-way calibrations can be found in [35]. This performance characteristic has hardly varied over time, as the comparison of these results with that in [36] revealed.…”

Usefulness of PARAFAC for the Quantification, Identification, and Description of Analytical Data

“…Applications of PARAFAC and PARAFAC2 to chromatographic analysis (in particular, GC-MS) in this regulated context can be found in Refs. [44,45,46] about pesticides and in the determination of monomers and additives that migrate into food [47,48]; in all these cases, the performance of the analyses is regulated. Usefulness of three-way techniques is shown with other chromatographic techniques too, for example, to determine veterinary residues with HPLC-DAD in Ref.…”

Determination of dichlobenil and its major metabolite (BAM) in onions by PTV–GC–MS using PARAFAC2 and experimental design methodology

“…In this way, as long as the model is trilinear, which guarantees the second-order advantage, a unique mass spectrum is extracted from the decomposition of the data tensor X, avoiding the subjective choice of a reference mass spectrum [22]. The tolerance interval for each diagnostic ion is calculated with this spectral profile.…”

“…Target compounds are extracted from onions with a QuEChERS modified procedure which involves a dispersive solid phase extraction (dSPE) step, and subsequently extracts are derivatized with BSTFA (N,Obis(trimethylsilyl)trifluoroacetamide) and injected into the chromatographic system Optimization of some experimental parameters of the steps implied in the chromatographic analysis is approached using the experimental design methodology, response surface and Doptimal designs. Several examples can be found in the literature on the use of this methodology to optimize some step of chromatographic determinations (as extraction or derivatization) [18,19], and other where it is coupled to second-order calibration techniques for giving a powerful tool of analysis [13,20,21,22,23]. In addition, the Derringer's desirability function [24,25,26], a multiobjective optimization technique, is used to simultaneously optimizing multiple responses because of its user flexibility in selecting optimum conditions for analysis.…”