Staff Publications

Staff Publications

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    'Staff publications' is the digital repository of Wageningen University & Research

    'Staff publications' contains references to publications authored by Wageningen University staff from 1976 onward.

    Publications authored by the staff of the Research Institutes are available from 1995 onwards.

    Full text documents are added when available. The database is updated daily and currently holds about 240,000 items, of which 72,000 in open access.

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Record number 486526
Title Fourier transform assisted deconvolution of skewed peaks in complex multi-dimensional chromatograms
Author(s) Hanke, A.T.; Verhaert, P.D.E.M.; Wielen, L.A.M. van der; Eppink, M.H.M.; Sandt, E.J.A.X.; Ottens, M.
Source Journal of Chromatography. A, Including electrophoresis and other separation methods 1394 (2015). - ISSN 0021-9673 - p. 54 - 61.
Department(s) Bioprocess Engineering
Publication type Refereed Article in a scientific journal
Publication year 2015
Keyword(s) multivariate curve resolution - purification process-development - ion-exchange chromatography - multicomponent chromatograms - liquid-chromatography - automatic program - parameters - optimization - algorithms - equations
Abstract Lower order peak moments of individual peaks in heavily fused peak clusters can be determined by fitting peak models to the experimental data. The success of such an approach depends on two main aspects: the generation of meaningful initial estimates on the number and position of the peaks, and the choice of a suitable peak model. For the detection of meaningful peaks in multi-dimensional chromatograms, a fast data scanning algorithm was combined with prior resolution enhancement through the reduction of column and system broadening effects with the help of two-dimensional fast Fourier transforms. To capture the shape of skewed peaks in multi-dimensional chromatograms a formalism for the accurate calculation of exponentially modified Gaussian peaks, one of the most popular models for skewed peaks, was extended for direct fitting of two-dimensional data. The method is demonstrated to successfully identify and deconvolute peaks hidden in strongly fused peak clusters. Incorporation of automatic analysis and reporting of the statistics of the fitted peak parameters and calculated properties allows to easily identify in which regions of the chromatograms additional resolution is required for robust quantification.
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