Recent applications of chemometrics in one- and two-dimensional chromatography

Tijmen S. Bos; Wouter C. Knol; Stef R.A. Molenaar; Leon E. Niezen; Peter J. Schoenmakers; Govert W. Somsen; Bob W.J. Pirok

doi:10.1002/jssc.202000011

Recent applications of chemometrics in one- and two-dimensional chromatography

Tijmen S. Bos, Wouter C. Knol, Stef R.A. Molenaar, Leon E. Niezen, Peter J. Schoenmakers, Govert W. Somsen, Bob W.J. Pirok^*

^*Corresponding author for this work

Research output: Contribution to Journal › Review article › Academic › peer-review

Abstract

The proliferation of increasingly more sophisticated analytical separation systems, often incorporating increasingly more powerful detection techniques, such as high-resolution mass spectrometry, causes an urgent need for highly efficient data-analysis and optimization strategies. This is especially true for comprehensive two-dimensional chromatography applied to the separation of very complex samples. In this contribution, the requirement for chemometric tools is explained and the latest developments in approaches for (pre-)processing and analyzing data arising from one- and two-dimensional chromatography systems are reviewed. The final part of this review focuses on the application of chemometrics for method development and optimization.

Original language	English
Pages (from-to)	1678-1727
Number of pages	51
Journal	Journal of Separation Science
Volume	43
Issue number	9-10
Early online date	25 Feb 2020
DOIs	https://doi.org/10.1002/jssc.202000011
Publication status	Published - May 2020

Bibliographical note

Special Issue: Emerging Thought Leaders in Separation Science.

Funding

T.B., W.K., S.M., and L.N., acknowledge the UNMATCHED project, which is supported by BASF, DSM and Nouryon, and receives funding from the Netherlands Organization for Scientific Research (NWO) in the framework of the Innovation Fund for Chemistry and from the Ministry of Economic Affairs in the framework of the “PPS‐toeslagregeling”. B.P. acknowledges the Agilent UR grant #4354. This work was performed in the context of the Chemometrics and Advanced Separations Team (CAST) within the Centre for Analytical Sciences Amsterdam (CASA). The valuable contributions of the CAST members are gratefully acknowledged. T.B., W.K., S.M., and L.N., acknowledge the UNMATCHED project, which is supported by BASF, DSM and Nouryon, and receives funding from the Netherlands Organization for Scientific Research (NWO) in the framework of the Innovation Fund for Chemistry and from the Ministry of Economic Affairs in the framework of the “PPS-toeslagregeling”. B.P. acknowledges the Agilent UR grant #4354. This work was performed in the context of the Chemometrics and Advanced Separations Team (CAST) within the Centre for Analytical Sciences Amsterdam (CASA). The valuable contributions of the CAST members are gratefully acknowledged.

Funders	Funder number
Agilent UR	4354
BASF
Diagnostic Services Manitoba
Ministerie van Economische Zaken
Nederlandse Organisatie voor Wetenschappelijk Onderzoek
China Academy of Space Technology

Keywords

1D chromatography
2D chromatography
chemometrics
data processing
optimization

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1002/jssc.202000011

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Cite this

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abstract = "The proliferation of increasingly more sophisticated analytical separation systems, often incorporating increasingly more powerful detection techniques, such as high-resolution mass spectrometry, causes an urgent need for highly efficient data-analysis and optimization strategies. This is especially true for comprehensive two-dimensional chromatography applied to the separation of very complex samples. In this contribution, the requirement for chemometric tools is explained and the latest developments in approaches for (pre-)processing and analyzing data arising from one- and two-dimensional chromatography systems are reviewed. The final part of this review focuses on the application of chemometrics for method development and optimization.",

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AU - Niezen, Leon E.

AU - Schoenmakers, Peter J.

AU - Somsen, Govert W.

AU - Pirok, Bob W.J.

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Recent applications of chemometrics in one- and two-dimensional chromatography

Abstract

Bibliographical note

Funding

Keywords

UN SDGs

Access to Document

Persistent URL (handle)

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