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Elucidation of chromatographic peak shifts in complex samples using a chemometrical approach.

ABSTRACT: 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.

SUBMITTER: Sousa PFM

PROVIDER: S-EPMC6061714 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature

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Elucidation of chromatographic peak shifts in complex samples using a chemometrical approach.

Sousa Pedro F M PFM de Waard Angela A Åberg K Magnus KM

Analytical and bioanalytical chemistry 20180614 21

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 ...[more]

PMID: 29947907

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Dataset Information

Elucidation of chromatographic peak shifts in complex samples using a chemometrical approach.

Publications

Elucidation of chromatographic peak shifts in complex samples using a chemometrical approach.

Similar Datasets

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