A new strategy for the computer-assisted development of reversed-phase liquid chromatography separation methods of unknown sample mixtures.

ABSTRACT: A new strategy for the computer-assisted methods development in the reversed-phase liquid chromatographic separations of unknown sample mixtures has been developed using the latent spectral information in chromatogram raw data files of appropriately designed experiments, rather than resorting to elemental information functions (e.g., the number of peaks in chromatograms or similar criteria). The strategy developed allows unification of the approach for samples of both known and unknown composition and, thus, provide a general strategy for computer-aided tools in the chromatography laboratory. The operation principle of this strategy departs from extracting the spectra of components in the mixture chromatograms by resorting to multivariate curve resolution-alternating least squares (MCR-ALS

SUBMITTER: Cela R 

PROVIDER: S-EPMC8748381 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature