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dc.contributor.authorPérez Miguez, Raquel 
dc.contributor.authorSánchez López, Elena 
dc.contributor.authorPlaza del Moral, Merichel 
dc.contributor.authorMarina Alegre, María Luisa 
dc.contributor.authorCastro Puyana, María
dc.identifier.bibliographicCitationJournal of Chromatography A, 2019, v. 1605, n. 360353en
dc.description.abstractThe aim of this work was to develop a capillary electrophoresis-mass spectrometry (CE-ESI-QToF-MS) method to carry out the metabolic fingerprinting of green and roasted coffee samples (Arabica variety). To evaluate changes in the metabolic profiles of coffee occurring along the roasting process, green coffee beans were submitted to different roasting degrees. The effect of different parameters concerning the electrophoretic separation (background electrolyte, temperature, voltage, and injection time), the MS detection (temperature and flow of drying gas, sheath gas of jet stream temperature, and capillary, fragmentator, nozzle, skimmer, and octapole voltages) and the sheath liquid (composition and flow rate) was studied to achieve an adequate separation and to obtain the largest number of molecular features. The analyses were carried out in positive ESI mode allowing to detect highly polar cationic metabolites present in coffee beans. Non-supervised and supervised multivariate analyses were performed showing a good discrimination among the different coffee groups. Those features having a high variable importance in the projection values on supervised analyses were selected as significant metabolites for their identification. Thus, 13 compounds were proposed as potential markers of the coffee roasting process, being 7 of them tentatively identified and 2 of them unequivocally identified. Different families of compounds such as pyridines, pyrroles, betaines, or indoles could be pointed out as markers of the coffee roasting process. (C) 2019 Elsevier B.V. All rights reserved.en
dc.rightsAttribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)en
dc.rights© Elsevieren
dc.subjectMetabolic fingerprintingen
dc.subjectCapillary electrophoresisen
dc.subjectHigh resolution mass spectrometryen
dc.subjectJet streamen
dc.subjectCoffee beansen
dc.subjectRoasting processen
dc.titleCapillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffeeen
dc.contributor.affiliationUniversidad de Alcalá. Departamento de Química Analítica, Química Física e Ingeniería Químicaes_ES
dc.relation.projectIDComunidad de Madrid y los Programas FSE y FEDER (proyecto S2018/BAA-4393, AVANSECAL-II-CM) Universidad de Alcalá (proyecto CCG2015/EXP-032)es_ES
dc.identifier.publicationtitleJournal of Chromatography Aen

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