An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis
Untargeted lipidomic samples are extremely complex and often exceed the limits of peak capacity achievable by one-dimensional liquid chromatography (LC). Comprehensive two-dimensional liquid chromatography (LC × LC) appears as a promising alternative to overcome this drawback. Unfortunately, this approach generates highly complex datasets which untargeted analysis is challenging. In this work, a global methodological strategy combining LC × LC–MS/MS with chemometric data analysis is proposed for untargeted lipidomic studies. The feasibility of the proposed methodology is demonstrated by its application to assess the effects of arsenic exposure on the lipidome of growing rice samples. A two-dimensional chromatographic setup coupling reversed phase (RP) and hydrophilic interaction liquid chromatography (HILIC) modes together with a triple quadrupole mass detector (TQD) is proposed to analyze lipid extracts from rice samples at different experimental conditions. Chemometric tools were used for data compression, spectral and elution profiles resolution, feature detection and statistical analysis of the multidimensional LC × LC–MS/MS data. The obtained results revealed that the proposed methodology was useful to gather relevant information from untargeted lipidomic studies and detect potential biomarkers. © 2018 Elsevier B.V.
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Format: | artículo biblioteca |
Language: | English |
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Elsevier
2018-07-05
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Subjects: | Untargeted lipidomics, LC×LC–MS, ROIMCR, Chemometrics, |
Online Access: | http://hdl.handle.net/10261/168037 http://dx.doi.org/10.13039/501100000780 |
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dig-idaea-es-10261-1680372020-07-05T04:30:56Z An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis Navarro-Reig, Meritxell Jaumot, Joaquim Tauler, Romà European Commission Untargeted lipidomics LC×LC–MS ROIMCR Chemometrics Untargeted lipidomic samples are extremely complex and often exceed the limits of peak capacity achievable by one-dimensional liquid chromatography (LC). Comprehensive two-dimensional liquid chromatography (LC × LC) appears as a promising alternative to overcome this drawback. Unfortunately, this approach generates highly complex datasets which untargeted analysis is challenging. In this work, a global methodological strategy combining LC × LC–MS/MS with chemometric data analysis is proposed for untargeted lipidomic studies. The feasibility of the proposed methodology is demonstrated by its application to assess the effects of arsenic exposure on the lipidome of growing rice samples. A two-dimensional chromatographic setup coupling reversed phase (RP) and hydrophilic interaction liquid chromatography (HILIC) modes together with a triple quadrupole mass detector (TQD) is proposed to analyze lipid extracts from rice samples at different experimental conditions. Chemometric tools were used for data compression, spectral and elution profiles resolution, feature detection and statistical analysis of the multidimensional LC × LC–MS/MS data. The obtained results revealed that the proposed methodology was useful to gather relevant information from untargeted lipidomic studies and detect potential biomarkers. © 2018 Elsevier B.V. The research leading to these results has received funding from the European Research Council under the European Union’s Seventh Framework Programme (FP/2007-2013)/ERC Grant Agreement Number 320737 Peer reviewed 2018-07-30T10:30:09Z 2018-07-30T10:30:09Z 2018-07-05 artículo http://purl.org/coar/resource_type/c_6501 Journal of Chromatography - A (2018) http://hdl.handle.net/10261/168037 10.1016/j.chroma.2018.07.017 http://dx.doi.org/10.13039/501100000780 en #PLACEHOLDER_PARENT_METADATA_VALUE# info:eu-repo/grantAgreement/EC/FP7/320737 Postprint https://doi.org/10.1016/j.chroma.2018.07.017 Sí open Elsevier |
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Untargeted lipidomics LC×LC–MS ROIMCR Chemometrics Untargeted lipidomics LC×LC–MS ROIMCR Chemometrics Navarro-Reig, Meritxell Jaumot, Joaquim Tauler, Romà An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis |
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Untargeted lipidomic samples are extremely complex and often exceed the limits of peak capacity achievable by one-dimensional liquid chromatography (LC). Comprehensive two-dimensional liquid chromatography (LC × LC) appears as a promising alternative to overcome this drawback. Unfortunately, this approach generates highly complex datasets which untargeted analysis is challenging. In this work, a global methodological strategy combining LC × LC–MS/MS with chemometric data analysis is proposed for untargeted lipidomic studies. The feasibility of the proposed methodology is demonstrated by its application to assess the effects of arsenic exposure on the lipidome of growing rice samples. A two-dimensional chromatographic setup coupling reversed phase (RP) and hydrophilic interaction liquid chromatography (HILIC) modes together with a triple quadrupole mass detector (TQD) is proposed to analyze lipid extracts from rice samples at different experimental conditions. Chemometric tools were used for data compression, spectral and elution profiles resolution, feature detection and statistical analysis of the multidimensional LC × LC–MS/MS data. The obtained results revealed that the proposed methodology was useful to gather relevant information from untargeted lipidomic studies and detect potential biomarkers. © 2018 Elsevier B.V. |
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European Commission |
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European Commission Navarro-Reig, Meritxell Jaumot, Joaquim Tauler, Romà |
format |
artículo |
topic_facet |
Untargeted lipidomics LC×LC–MS ROIMCR Chemometrics |
author |
Navarro-Reig, Meritxell Jaumot, Joaquim Tauler, Romà |
author_sort |
Navarro-Reig, Meritxell |
title |
An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis |
title_short |
An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis |
title_full |
An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis |
title_fullStr |
An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis |
title_full_unstemmed |
An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis |
title_sort |
untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis |
publisher |
Elsevier |
publishDate |
2018-07-05 |
url |
http://hdl.handle.net/10261/168037 http://dx.doi.org/10.13039/501100000780 |
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