Single- and multi-channel detection for generalized quantitative analysis in cases of unresolved chromatographic peaks |
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Authors: | Matthias Otto Wolfhard Wegscheider Ernst P. Lankmayr |
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Affiliation: | Department of Chemistry, Bergakademie Freiberg, 9200 Freiberg German Democratic Republic;Institute for Analytical Chemistry, Micro- and Radio-chemistry, Technical University of Graz, Technikerstrasse 4, A-8010 Graz Austria |
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Abstract: | Computerized quantification of components under overlapping chromatographic peaks is done by calibration of chromatograms against component mixtures. For conventional (single-channel) detectors, the limitations of earlier methods based on ordinary multiple regression, can be circumvented by data reduction with the aid of principal component analysis with the partial least-squares approach. Simulation studies show that the method can be applied even when there is severe peak overlap, unstable baseline, noisy chromatograms or non-linear detector response. Advantages in the quantification of fused peaks by means of multichannel detectors are outlined. Present limitations on the quantitative evaluation of several overlapping component peaks from a single spectro-chromatogram by means of the partial least-squares method combined with multiple regression on the pure component spectra, are discussed with respect to practical high-performance liquid chromatography. |
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