Peak picking and the assessment of separation performance in two-dimensional high performance liquid chromatography

Stevenson, Paul G., Mnatsakanyan, Mariam, Guiochon, Georges and Shalliker, R. Andrew 2010, Peak picking and the assessment of separation performance in two-dimensional high performance liquid chromatography, Analyst, vol. 135, no. 7, pp. 1541-1550.

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Title Peak picking and the assessment of separation performance in two-dimensional high performance liquid chromatography
Author(s) Stevenson, Paul G.
Mnatsakanyan, Mariam
Guiochon, Georges
Shalliker, R. Andrew
Journal name Analyst
Volume number 135
Issue number 7
Start page 1541
End page 1550
Total pages 10
Publisher Royal Society of Chemistry
Place of publication Cambridge, England
Publication date 2010-07
ISSN 0003-2654
1364-5528
Keyword(s) algorithms
chromatography
high pressure liquid
automated pattern recognition
software
Summary An algorithm was developed for 2DHPLC that automated the process of peak recognition, measuring their retention times, and then subsequently plotting the information in a two-dimensional retention plane. Following the recognition of peaks, the software then performed a series of statistical assessments of the separation performance, measuring for example, correlation between dimensions, peak capacity and the percentage of usage of the separation space. Peak recognition was achieved by interpreting the first and second derivatives of each respective one-dimensional chromatogram to determine the 1D retention times of each solute and then compiling these retention times for each respective fraction ‘cut’. Due to the nature of comprehensive 2DHPLC adjacent cut fractions may contain peaks common to more than one cut fraction. The algorithm determined which components were common in adjacent cuts and subsequently calculated the peak maximum profile by interpolating the space between adjacent peaks. This algorithm was applied to the analysis of a two-dimensional separation of an apple flesh extract separated in a first dimension comprising a cyano stationary phase and an aqueous/THF mobile phase as the first dimension and a second dimension comprising C18-Hydro with an aqueous/MeOH mobile phase. A total of 187 peaks were detected.
Language eng
Field of Research 030108 Separation Science
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©2010, The Royal Society of Chemistry
Persistent URL http://hdl.handle.net/10536/DRO/DU:30047730

Document type: Journal Article
Collection: School of Life and Environmental Sciences
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