Assessment of cocoa powder changes during the alkalization process using untargeted metabolomics
This work is focused on the study of the metabolomic changes that occur in cocoa powder throughout the alkalization process by using an untargeted ultra high-performance liquid chromatography coupled to high-resolution mass spectrometry (UHPLC-QTOF-MS) metabolomics approach. With this aim, cocoa powder samples submitted to different alkalization degrees (light, medium, and strong) were analyzed. Metabolite extraction was performed using 75% MeOH in water since it provided the highest number of molecular features. After data processing, non-supervised and supervised methods were applied to carry out the statistical data analysis. Thus, the most significant metabolites that allow establishing differences among the cocoa powder samples submitted to the alkalization processes were pointed out. Thus, 43 and 30 metabolites in positive and negative ionization modes, respectively, demonstrated to be relevant. Among them, 9 compounds were unequivocally identified and 22 tentatively identified. Most of them were amino acids, alkaloids, organic acids or polyphenols, among others.
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Language: | English |
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Elsevier
2022
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Subjects: | Non-targeted metabolomics, Liquid chromatography, High-resolution mass spectrometry, Cocoa powder, Alkalization process, |
Online Access: | http://hdl.handle.net/10261/297086 |
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dig-cial-es-10261-2970862023-03-09T13:13:47Z Assessment of cocoa powder changes during the alkalization process using untargeted metabolomics Greño, Maider Herrero, Miguel Cifuentes, Alejandro Marina, María Luisa Castro-Puyana, M. Comunidad de Madrid European Commission Universidad de Alcalá Ministerio de Economía y Competitividad (España) Ministerio de Ciencia, Innovación y Universidades (España) Agencia Estatal de Investigación (España) Non-targeted metabolomics Liquid chromatography High-resolution mass spectrometry Cocoa powder Alkalization process This work is focused on the study of the metabolomic changes that occur in cocoa powder throughout the alkalization process by using an untargeted ultra high-performance liquid chromatography coupled to high-resolution mass spectrometry (UHPLC-QTOF-MS) metabolomics approach. With this aim, cocoa powder samples submitted to different alkalization degrees (light, medium, and strong) were analyzed. Metabolite extraction was performed using 75% MeOH in water since it provided the highest number of molecular features. After data processing, non-supervised and supervised methods were applied to carry out the statistical data analysis. Thus, the most significant metabolites that allow establishing differences among the cocoa powder samples submitted to the alkalization processes were pointed out. Thus, 43 and 30 metabolites in positive and negative ionization modes, respectively, demonstrated to be relevant. Among them, 9 compounds were unequivocally identified and 22 tentatively identified. Most of them were amino acids, alkaloids, organic acids or polyphenols, among others. Authors thank the Comunidad of Madrid and European funding from FSE and FEDER programs for project S2018/BAA-4393 (AVANSECAL-II-CM) and the University of Alcalá for project CCGP2017-EXP/057. M.C.P. thanks MINECO for her “Ramón y Cajal” research contract (RYC-2013-12688). M.G. thanks the Spanish Ministry of Science, Innovation, and Universities for her pre-doctoral contract (FPU17/01635). Authors also thank OLAM for the kind donation of cocoa powder samples. Peer reviewed 2023-03-09T13:13:47Z 2023-03-09T13:13:47Z 2022 artículo LWT 172: 114207 (2022) 0023-6438 http://hdl.handle.net/10261/297086 10.1016/j.lwt.2022.114207 en #PLACEHOLDER_PARENT_METADATA_VALUE# #PLACEHOLDER_PARENT_METADATA_VALUE# S2018/BAA-4393/AVANSECAL-II-CM info:eu-repo/grantAgreement/MINECO//RYC-2013-12688/ES/RYC-2013-12688/ LWT Publisher's version https://doi.org/10.1016/j.lwt.2022.114207 Sí open application/pdf Elsevier |
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Non-targeted metabolomics Liquid chromatography High-resolution mass spectrometry Cocoa powder Alkalization process Non-targeted metabolomics Liquid chromatography High-resolution mass spectrometry Cocoa powder Alkalization process |
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Non-targeted metabolomics Liquid chromatography High-resolution mass spectrometry Cocoa powder Alkalization process Non-targeted metabolomics Liquid chromatography High-resolution mass spectrometry Cocoa powder Alkalization process Greño, Maider Herrero, Miguel Cifuentes, Alejandro Marina, María Luisa Castro-Puyana, M. Assessment of cocoa powder changes during the alkalization process using untargeted metabolomics |
description |
This work is focused on the study of the metabolomic changes that occur in cocoa powder throughout the alkalization process by using an untargeted ultra high-performance liquid chromatography coupled to high-resolution mass spectrometry (UHPLC-QTOF-MS) metabolomics approach. With this aim, cocoa powder samples submitted to different alkalization degrees (light, medium, and strong) were analyzed. Metabolite extraction was performed using 75% MeOH in water since it provided the highest number of molecular features. After data processing, non-supervised and supervised methods were applied to carry out the statistical data analysis. Thus, the most significant metabolites that allow establishing differences among the cocoa powder samples submitted to the alkalization processes were pointed out. Thus, 43 and 30 metabolites in positive and negative ionization modes, respectively, demonstrated to be relevant. Among them, 9 compounds were unequivocally identified and 22 tentatively identified. Most of them were amino acids, alkaloids, organic acids or polyphenols, among others. |
author2 |
Comunidad de Madrid |
author_facet |
Comunidad de Madrid Greño, Maider Herrero, Miguel Cifuentes, Alejandro Marina, María Luisa Castro-Puyana, M. |
format |
artículo |
topic_facet |
Non-targeted metabolomics Liquid chromatography High-resolution mass spectrometry Cocoa powder Alkalization process |
author |
Greño, Maider Herrero, Miguel Cifuentes, Alejandro Marina, María Luisa Castro-Puyana, M. |
author_sort |
Greño, Maider |
title |
Assessment of cocoa powder changes during the alkalization process using untargeted metabolomics |
title_short |
Assessment of cocoa powder changes during the alkalization process using untargeted metabolomics |
title_full |
Assessment of cocoa powder changes during the alkalization process using untargeted metabolomics |
title_fullStr |
Assessment of cocoa powder changes during the alkalization process using untargeted metabolomics |
title_full_unstemmed |
Assessment of cocoa powder changes during the alkalization process using untargeted metabolomics |
title_sort |
assessment of cocoa powder changes during the alkalization process using untargeted metabolomics |
publisher |
Elsevier |
publishDate |
2022 |
url |
http://hdl.handle.net/10261/297086 |
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