Data handling in HPLC-diode array UV-spectrometry

Summary The mathematical resolution of overlapped chromatographic peaks obtained in HPLC with a diode array UV detector has received considerable attention recently. The purpose of the proposed methods is the quantitation and identification of unknown solutes in complex mixtures by an efficient use of all available data. Basically two approaches have been proposed: the first one resolves the concentration profiles and calculates the pure spectra by applying a minimal number of assumptions, which is denoted self-modeling-curve resolution. The second one is based on a match of pure spectra available in a spectral library with the measured mixture spectra. In this paper both approaches are evaluated with respect to their performance to provide the pure spectra and an accurate quantitation of the concentrations.