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Metabolites 2017, 7(4), 54; https://doi.org/10.3390/metabo7040054

Modelling of Hydrophilic Interaction Liquid Chromatography Stationary Phases Using Chemometric Approaches

Department of Environmental Chemistry, IDAEA-CSIC, Jordi Girona 18-26, 08034 Barcelona, Spain
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Received: 15 July 2017 / Revised: 11 October 2017 / Accepted: 21 October 2017 / Published: 24 October 2017
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Abstract

Metabolomics is a powerful and widely used approach that aims to screen endogenous small molecules (metabolites) of different families present in biological samples. The large variety of compounds to be determined and their wide diversity of physical and chemical properties have promoted the development of different types of hydrophilic interaction liquid chromatography (HILIC) stationary phases. However, the selection of the most suitable HILIC stationary phase is not straightforward. In this work, four different HILIC stationary phases have been compared to evaluate their potential application for the analysis of a complex mixture of metabolites, a situation similar to that found in non-targeted metabolomics studies. The obtained chromatographic data were analyzed by different chemometric methods to explore the behavior of the considered stationary phases. ANOVA-simultaneous component analysis (ASCA), principal component analysis (PCA) and partial least squares regression (PLS) were used to explore the experimental factors affecting the stationary phase performance, the main similarities and differences among chromatographic conditions used (stationary phase and pH) and the molecular descriptors most useful to understand the behavior of each stationary phase. View Full-Text
Keywords: hydrophilic interaction liquid chromatography (HILIC); non-targeted metabolomics; stationary phase; chemometrics hydrophilic interaction liquid chromatography (HILIC); non-targeted metabolomics; stationary phase; chemometrics
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Navarro-Reig, M.; Ortiz-Villanueva, E.; Tauler, R.; Jaumot, J. Modelling of Hydrophilic Interaction Liquid Chromatography Stationary Phases Using Chemometric Approaches. Metabolites 2017, 7, 54.

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