Characterization of secondary metabolites from green cocoa beans using focusing-modulated comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry
Proanthocyanidins as well as other secondary metabolites present in green cocoa beans were studied thanks to a new method involving the use of on-line comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry (LC × LC-MS/MS). In order to enhance the performance of previously developed methodologies, the use of different modulation strategies were explored. Focusing modulation clearly allowed the attainment of higher resolving power and peak capacity compared to non-focusing modulation set-ups. Moreover, the use of active modulation by the addition of a make-up flow efficiently helped to compensate for the solvent strength mismatch produced between dimensions. The optimized method was useful to successfully describe the secondary metabolite composition of green cocoa that was characterized by the presence of 30 main compounds, including 3 xanthines, 2 flavan-3-ols and 24 oligomeric procyanidins with a degree of polymerization up to 12. The obtained results showed that the proanthocyanidins found in the cocoa beans were exclusively B-type procyanidins. The existence of (epi)catechin subunits linked to sugar or galloyl moieties was not observed. The developed method produced a good separation of secondary metabolites allowing an improvement with respect to the available methodologies for the analysis of a complex food sample such as cocoa metabolites in terms of speed of analysis, resolution and peak capacity.
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Format: | artículo biblioteca |
Language: | English |
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Elsevier
2018
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Subjects: | Cocoa, Focusing modulation, LC × LC, Phenolic compounds, Proanthocyanidins, Xanthines, |
Online Access: | http://hdl.handle.net/10261/192160 http://dx.doi.org/10.13039/501100003329 http://dx.doi.org/10.13039/501100009087 http://dx.doi.org/10.13039/501100011033 |
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dig-cial-es-10261-1921602020-01-11T02:07:08Z Characterization of secondary metabolites from green cocoa beans using focusing-modulated comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry Toro-Uribe, Said Montero, Lidia López-Giraldo, Luis Ibáñez, Elena Herrero, Miguel Ministerio de Economía y Competitividad (España) Agencia Estatal de Investigación (España) Colciencias (Colombia) Ministerio de Ciencia, Innovación y Universidades (España) CSIC-UAM - Instituto de Investigación en Ciencias de la Alimentación (CIAL) Universidad Industrial de Santander (Colombia) Cocoa Focusing modulation LC × LC Phenolic compounds Proanthocyanidins Xanthines Proanthocyanidins as well as other secondary metabolites present in green cocoa beans were studied thanks to a new method involving the use of on-line comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry (LC × LC-MS/MS). In order to enhance the performance of previously developed methodologies, the use of different modulation strategies were explored. Focusing modulation clearly allowed the attainment of higher resolving power and peak capacity compared to non-focusing modulation set-ups. Moreover, the use of active modulation by the addition of a make-up flow efficiently helped to compensate for the solvent strength mismatch produced between dimensions. The optimized method was useful to successfully describe the secondary metabolite composition of green cocoa that was characterized by the presence of 30 main compounds, including 3 xanthines, 2 flavan-3-ols and 24 oligomeric procyanidins with a degree of polymerization up to 12. The obtained results showed that the proanthocyanidins found in the cocoa beans were exclusively B-type procyanidins. The existence of (epi)catechin subunits linked to sugar or galloyl moieties was not observed. The developed method produced a good separation of secondary metabolites allowing an improvement with respect to the available methodologies for the analysis of a complex food sample such as cocoa metabolites in terms of speed of analysis, resolution and peak capacity. S.T.U. wants to thank Colciencias-Colombia for financial support, and Universidad Industrial of Santander (Colombia) and Instituto de Investigación en Ciencias de la Alimentación (CIAL, Spain) for making this work possible. Authors thank Projects AGL2014-53609-P and AGL2017-89417-R (MINECO, Spain) for financial support. Peer reviewed 2019-10-04T10:19:26Z 2019-10-04T10:19:26Z 2018 artículo http://purl.org/coar/resource_type/c_6501 Analytica Chimica Acta 1036: 204-213 (2018) ISSN: 0003-2670 http://hdl.handle.net/10261/192160 10.1016/j.aca.2018.06.068 1873-4324 http://dx.doi.org/10.13039/501100003329 http://dx.doi.org/10.13039/501100009087 http://dx.doi.org/10.13039/501100011033 30253833 en #PLACEHOLDER_PARENT_METADATA_VALUE# #PLACEHOLDER_PARENT_METADATA_VALUE# #PLACEHOLDER_PARENT_METADATA_VALUE# AGL2017-89417-R/AEI/10.13039/501100011033 info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/AGL2014-53609-P info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/AGL2017-89417-R Postprint https://doi.org/10.1016/j.aca.2018.06.068 Sí open Elsevier |
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Cocoa Focusing modulation LC × LC Phenolic compounds Proanthocyanidins Xanthines Cocoa Focusing modulation LC × LC Phenolic compounds Proanthocyanidins Xanthines |
spellingShingle |
Cocoa Focusing modulation LC × LC Phenolic compounds Proanthocyanidins Xanthines Cocoa Focusing modulation LC × LC Phenolic compounds Proanthocyanidins Xanthines Toro-Uribe, Said Montero, Lidia López-Giraldo, Luis Ibáñez, Elena Herrero, Miguel Characterization of secondary metabolites from green cocoa beans using focusing-modulated comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry |
description |
Proanthocyanidins as well as other secondary metabolites present in green cocoa beans were studied thanks to a new method involving the use of on-line comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry (LC × LC-MS/MS). In order to enhance the performance of previously developed methodologies, the use of different modulation strategies were explored. Focusing modulation clearly allowed the attainment of higher resolving power and peak capacity compared to non-focusing modulation set-ups. Moreover, the use of active modulation by the addition of a make-up flow efficiently helped to compensate for the solvent strength mismatch produced between dimensions. The optimized method was useful to successfully describe the secondary metabolite composition of green cocoa that was characterized by the presence of 30 main compounds, including 3 xanthines, 2 flavan-3-ols and 24 oligomeric procyanidins with a degree of polymerization up to 12. The obtained results showed that the proanthocyanidins found in the cocoa beans were exclusively B-type procyanidins. The existence of (epi)catechin subunits linked to sugar or galloyl moieties was not observed. The developed method produced a good separation of secondary metabolites allowing an improvement with respect to the available methodologies for the analysis of a complex food sample such as cocoa metabolites in terms of speed of analysis, resolution and peak capacity. |
author2 |
Ministerio de Economía y Competitividad (España) |
author_facet |
Ministerio de Economía y Competitividad (España) Toro-Uribe, Said Montero, Lidia López-Giraldo, Luis Ibáñez, Elena Herrero, Miguel |
format |
artículo |
topic_facet |
Cocoa Focusing modulation LC × LC Phenolic compounds Proanthocyanidins Xanthines |
author |
Toro-Uribe, Said Montero, Lidia López-Giraldo, Luis Ibáñez, Elena Herrero, Miguel |
author_sort |
Toro-Uribe, Said |
title |
Characterization of secondary metabolites from green cocoa beans using focusing-modulated comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry |
title_short |
Characterization of secondary metabolites from green cocoa beans using focusing-modulated comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry |
title_full |
Characterization of secondary metabolites from green cocoa beans using focusing-modulated comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry |
title_fullStr |
Characterization of secondary metabolites from green cocoa beans using focusing-modulated comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry |
title_full_unstemmed |
Characterization of secondary metabolites from green cocoa beans using focusing-modulated comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry |
title_sort |
characterization of secondary metabolites from green cocoa beans using focusing-modulated comprehensive two-dimensional liquid chromatography coupled to tandem mass spectrometry |
publisher |
Elsevier |
publishDate |
2018 |
url |
http://hdl.handle.net/10261/192160 http://dx.doi.org/10.13039/501100003329 http://dx.doi.org/10.13039/501100009087 http://dx.doi.org/10.13039/501100011033 |
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1777671332411998208 |