Untargeted HILIC-MS-based metabolomics approach to evaluate coffee roasting process: contributing to an integrated metabolomics multiplatform
Authors
Marina Alegre, María Luisa; Pérez Miguez, Raquel; Sánchez López, Elena; Plaza del Moral, Merichel; Castro Puyana, MaríaIdentifiers
Permanent link (URI): http://hdl.handle.net/10017/44711DOI: 10.3390/molecules25040887
ISSN: 1420-3049
Date
2020-02-17Affiliation
Universidad de Alcalá. Departamento de Química Analítica, Química Física e Ingeniería QuímicaBibliographic citation
Molecules, 2020, v. 25, n. 4, p. 887-
Keywords
coffee roasting process
HILIC
mass spectrometry
multiplatform
untargeted metabolomics
Project
Comunidad de Madrid y programas europeos FSE y FEDER (proyecto S2018 / BAA-4393, AVANSECAL-II-CM) y
info:eu-repo/grantAgreement/MINECO//RYC-2013-12688/ES/RYC-2013-12688/
Document type
info:eu-repo/semantics/article
Version
info:eu-repo/semantics/publishedVersion
Rights
Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
MDPI
Access rights
info:eu-repo/semantics/openAccess
Abstract
An untargeted metabolomics strategy using hydrophilic interaction chromatography-mass spectrometry (HILIC-MS) was developed in this work enabling the study of the coffee roasting process.
Green coffee beans and coffee beans submitted to three
different roasting degrees (light, medium, and strong) were analyzed.
Chromatographic separation was carried out using water containing 10 mM
ammonium formate with 0.2 % formic acid (mobile phase A) and acetonitrile
containing 10mM ammonium formate with 0.2% formic acid (mobile phase B). A
total of 93 molecular features were considered from which 31 were chosen as the
most statistically significant using variable in the projection values. 13
metabolites were tentatively identified as potential biomarkers of the coffee roasting process using
this metabolomic platform. Results obtained in this work were
complementary to those achieved using orthogonal techniques such as
reversed-phase liquid chromatography-mass spectrometry (RPLC-MS) and capillary
electrophoresis-mass spectrometry (CE-MS) since only one metabolite was
found to be common between HILIC-MS and RPLC-MS platforms
(caffeoylshikimic acid isomer) and other between HILIC-MS and CE-MS platforms
(choline). On the basis of these results, an untargeted metabolomics multiplatform is
proposed in this work based on the integration of the three orthogonal
techniques as a powerful tool to expand the coverage of the
roasted coffee metabolome.
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Untargeted_Perez_Molecules_2020.pdf | 1.628Mb |
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