A new approach based on inversion of a partial least squares model searching for a preset analytical target profile. Application to the determination of five bisphenols by liquid chromatography with diode array detector

The paper shows a procedure for selecting the control method parameters (factors) to obtain preset ‘analytical target profile’ when liquid chromatographic technique is going be carried out simultaneous determination of five bisphenols (bisphenol-A, bisphenol-S, bisphenol-F, bisphenol-Z and bisphenol-AF), some them regulated by European Union. has three steps. first consists building D-optimal combined design (mixture-process design) parameters, which are composition ternary mobile phase its flow rate. second step fit PLS2 model predict six analytical responses (namely, resolution between each pair consecutive peaks, initial final time) as function parameters. third inversion conditions needed attaining profile. computational prediction looking Pareto front these provides set experimental conduct determination, specifically 22% water, mixed with 58% methanol 20% acetonitrile, keeping rate at 0.66 mL min−1. These give chromatogram retention times 2.180, 2.452, 2.764, 3.249 3.775 min BPS, BPF, BPA, BPAF BPZ, respectively, excellent among all peaks. Finally, validated under selected conditions, in terms trueness precision. In addition, detection capability were: 596, 334, 424, 458 1156 μg L−1, probabilities false positive negative equal 0.05.