Capillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffee

The 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, gre...

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Autores: Pérez Miguez, Raquel, Sánchez López, Elena, Plaza del Moral, Merichel|||0000-0002-9636-6458, Marina Alegre, María Luisa|||0000-0002-5583-1624, Castro Puyana, María|||0000-0003-1412-4103
Tipo de recurso: artículo
Fecha de publicación:2019
País:España
Institución:Universidad de Alcalá (UAH)
Repositorio:e_Buah Biblioteca Digital Universidad de Alcalá
Idioma:inglés
OAI Identifier:oai:ebuah.uah.es:10017/48151
Acceso en línea:http://hdl.handle.net/10017/48151
https://dx.doi.org/10.1016/j.chroma.2019.07.007
Access Level:acceso abierto
Palabra clave:Metabolic fingerprinting
Capillary electrophoresis
High resolution mass spectrometry
Jet stream
Coffee beans
Roasting process
Química
Chemistry
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spelling Capillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffeePérez Miguez, RaquelSánchez López, ElenaPlaza del Moral, Merichel|||0000-0002-9636-6458Marina Alegre, María Luisa|||0000-0002-5583-1624Castro Puyana, María|||0000-0003-1412-4103Metabolic fingerprintingCapillary electrophoresisHigh resolution mass spectrometryJet streamCoffee beansRoasting processQuímicaChemistryThe 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.Comunidad de MadridUniversidad de Alcalá20192019-11-0820192019-11-0820212021-11-08journal articlehttp://purl.org/coar/resource_type/c_6501NAhttp://purl.org/coar/version/c_be7fb7dd8ff6fe43info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10017/48151https://dx.doi.org/10.1016/j.chroma.2019.07.007reponame:e_Buah Biblioteca Digital Universidad de Alcaláinstname:Universidad de Alcalá (UAH)InglésengUAH Not available CCG2015%2FEXP-032 Desarrollo de una estrategia metabolómica no dirigida por electroforesis capilar acoplada a espectrometría de masas para la caracterización de alimentos de alto consumoComunidad de Madrid http://dx.doi.org/10.13039/100012818 Not available S2018%2FBAA-4393 Estrategias integradas para la mejora de la calidad, la seguridad y la funcionalidad de los alimentos: hacia una alimentación saludableopen accesshttp://purl.org/coar/access_right/c_abf2Attribution-NonCommercial-ShareAlike 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-sa/4.0/info:eu-repo/semantics/openAccessoai:ebuah.uah.es:10017/481512026-06-18T11:13:07Z
dc.title.none.fl_str_mv Capillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffee
title Capillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffee
spellingShingle Capillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffee
Pérez Miguez, Raquel
Metabolic fingerprinting
Capillary electrophoresis
High resolution mass spectrometry
Jet stream
Coffee beans
Roasting process
Química
Chemistry
title_short Capillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffee
title_full Capillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffee
title_fullStr Capillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffee
title_full_unstemmed Capillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffee
title_sort Capillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffee
dc.creator.none.fl_str_mv Pérez Miguez, Raquel
Sánchez López, Elena
Plaza del Moral, Merichel|||0000-0002-9636-6458
Marina Alegre, María Luisa|||0000-0002-5583-1624
Castro Puyana, María|||0000-0003-1412-4103
author Pérez Miguez, Raquel
author_facet Pérez Miguez, Raquel
Sánchez López, Elena
Plaza del Moral, Merichel|||0000-0002-9636-6458
Marina Alegre, María Luisa|||0000-0002-5583-1624
Castro Puyana, María|||0000-0003-1412-4103
author_role author
author2 Sánchez López, Elena
Plaza del Moral, Merichel|||0000-0002-9636-6458
Marina Alegre, María Luisa|||0000-0002-5583-1624
Castro Puyana, María|||0000-0003-1412-4103
author2_role author
author
author
author
dc.subject.none.fl_str_mv Metabolic fingerprinting
Capillary electrophoresis
High resolution mass spectrometry
Jet stream
Coffee beans
Roasting process
Química
Chemistry
topic Metabolic fingerprinting
Capillary electrophoresis
High resolution mass spectrometry
Jet stream
Coffee beans
Roasting process
Química
Chemistry
description The 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.
publishDate 2019
dc.date.none.fl_str_mv 2019
2019-11-08
2019
2019-11-08
2021
2021-11-08
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
NA
http://purl.org/coar/version/c_be7fb7dd8ff6fe43
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10017/48151
https://dx.doi.org/10.1016/j.chroma.2019.07.007
url http://hdl.handle.net/10017/48151
https://dx.doi.org/10.1016/j.chroma.2019.07.007
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv UAH Not available CCG2015%2FEXP-032 Desarrollo de una estrategia metabolómica no dirigida por electroforesis capilar acoplada a espectrometría de masas para la caracterización de alimentos de alto consumo
Comunidad de Madrid http://dx.doi.org/10.13039/100012818 Not available S2018%2FBAA-4393 Estrategias integradas para la mejora de la calidad, la seguridad y la funcionalidad de los alimentos: hacia una alimentación saludable
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Attribution-NonCommercial-ShareAlike 4.0 International
http://creativecommons.org/licenses/by-nc-sa/4.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
Attribution-NonCommercial-ShareAlike 4.0 International
http://creativecommons.org/licenses/by-nc-sa/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:e_Buah Biblioteca Digital Universidad de Alcalá
instname:Universidad de Alcalá (UAH)
instname_str Universidad de Alcalá (UAH)
reponame_str e_Buah Biblioteca Digital Universidad de Alcalá
collection e_Buah Biblioteca Digital Universidad de Alcalá
repository.name.fl_str_mv
repository.mail.fl_str_mv
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