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Elucidation of chromatographic peak shifts in complex samples using a chemometrical approach
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
Number of Authors: 32018 (English)In: Analytical and Bioanalytical Chemistry, ISSN 1618-2642, E-ISSN 1618-2650, Vol. 410, no 21, p. 5229-5235Article in journal (Refereed) Published
Abstract [en]

Chromatographic retention time peak shifts between consecutive analyses is a well-known fact yet not fully understood. Algorithms have been developed to align peaks between runs, but with no specific studies considering the causes of peak shifts. Here, designed experiments reveal chromatographic shift patterns for a complex peptide mixture that are attributable to the temperature and pH of the mobile phase. These results demonstrate that peak shifts are highly structured and are to a high degree explained by underlying differences in physico-chemical parameters of the chromatographic system and also provide experimental support for the alignment algorithm called the generalized fuzzy Hough transform which exploits this fact. It can be expected that the development of alignment algorithms enters a new phase resulting in increasingly accurate alignment by considering the latent structure of the peak shifts.

Place, publisher, year, edition, pages
2018. Vol. 410, no 21, p. 5229-5235
Keywords [en]
Chromatography, Alignment, PCA
National Category
Biological Sciences Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-159026DOI: 10.1007/s00216-018-1173-9ISI: 000439138900016PubMedID: 29947907OAI: oai:DiVA.org:su-159026DiVA, id: diva2:1245685
Available from: 2018-09-05 Created: 2018-09-05 Last updated: 2018-09-05Bibliographically approved

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Sousa, Pedro F. M.Åberg, K. Magnus
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