Deconvolution of overlapping chromatographic peaks using constrained non-linear optimization

Non-linear regression involving Gaussian, modified Gaussian or Weibull functions is currently used for deconvoluting fused chromatograms. In this paper, we report that deconvolution of fused chromatograms is a problem in constrained non-linear optimization and not an unconstrained problem as assumed...

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Bibliographic Details
Published in:Journal of Chromatography A 1984, Vol.287 (2), p.231-244
Main Authors: Vaidya, Rajeev A., Hester, Roger D.
Format: Article
Language:English
Subjects:
Analytical chemistry
Chemistry
Chromatographic methods and physical methods associated with chromatography
Exact sciences and technology
Gas chromatographic methods
Other chromatographic methods
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Summary:Non-linear regression involving Gaussian, modified Gaussian or Weibull functions is currently used for deconvoluting fused chromatograms. In this paper, we report that deconvolution of fused chromatograms is a problem in constrained non-linear optimization and not an unconstrained problem as assumed by previous researchers. A modified version of the generalized exponential function is shown to fit chromatographic peaks using the Box-Complex method for constrained optimization. Previously reported problems of false fits do not occur with this method. Several deconvolutios on real size exclusion chromatographic data are shown to demonstrate the power of the technique.
ISSN:0021-9673
DOI:10.1016/S0021-9673(01)87700-1