Alternative Algorithm for Simultaneous Determinations of Components Poorly Resolved by Liquid Chromatography with Multiwavelength Detection

Abstract

This paper describes an alternative algorithm for a simultaneous multicomponent analysis with three-mode three- dimensional array data generated by liquid chromatography with diode array detection (LC-DAD). The algorithm is mainly based on a combination of two-step Moore-Penrose pseudoinverse computations based on a truncated singular value decomposition (TSVD) and one-step direct bilinear decomposition. It is modeled with a series of pure or mixed reference samples and then used to analyze several unknown samples. The algorithm was evaluated by Monte-Carlo simulations of two synthetic LC-DAD data sets with different noise levels, and applied to the simultaneous determination of chlorobenzene and toluene by means of HPLC with a photodiode array detector. The obtained results show that the proposed algorithm is suitable for simultaneous determinations of several components, of which the chromatographic peaks and absorption spectra heavily overlap each other, provided that their three-dimensional data have trilinear properties.