Cargando…
Exploring Chemical Markers Related to the Acceptance and Sensory Profiles of Concentrated Liquid Coffees: An Untargeted Metabolomics Approach
In this study, we aimed to apply an untargeted LC/QTOF-MS analysis for the identification of compounds that positively and negatively affect the acceptance of coffee beverages from liquid coffee concentrates (CLCs) before and after storage. The metabolomic results were integrated with physicochemica...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8834377/ https://www.ncbi.nlm.nih.gov/pubmed/35159623 http://dx.doi.org/10.3390/foods11030473 |
_version_ | 1784649172228505600 |
---|---|
author | Quintero, Mónica Santander, Maria José Velásquez, Sebastián Zapata, Julián Cala, Mónica P. |
author_facet | Quintero, Mónica Santander, Maria José Velásquez, Sebastián Zapata, Julián Cala, Mónica P. |
author_sort | Quintero, Mónica |
collection | PubMed |
description | In this study, we aimed to apply an untargeted LC/QTOF-MS analysis for the identification of compounds that positively and negatively affect the acceptance of coffee beverages from liquid coffee concentrates (CLCs) before and after storage. The metabolomic results were integrated with physicochemical and sensory parameters, such as color, pH, titratable acidity, and oxygen contents, by a bootstrapped version of partial least squares discriminant analysis (PLS-DA) to select and classify the most relevant variables regarding the rejection or acceptance of CLC beverages. The OPLS-DA models for metabolite selection discriminated between the percent sensory acceptance (the Accepted group) and rejection (the Rejected group). Eighty-two molecular features were considered statistically significant. Our data suggest that coffee sample rejection is associated with chlorogenic acid hydrolysis to produce ferulic and quinic acids, consequently generating methoxybenzaldehydes that impact the perceived acidity and aroma. Furthermore, acceptance was correlated with higher global scores and sweetness, as with lactones such as feruloyl-quinolactone, caffeoyl quinolactone, and 4-caffeoyl-1,5-quinolactone, and significant oxygen levels in the headspace. |
format | Online Article Text |
id | pubmed-8834377 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-88343772022-02-12 Exploring Chemical Markers Related to the Acceptance and Sensory Profiles of Concentrated Liquid Coffees: An Untargeted Metabolomics Approach Quintero, Mónica Santander, Maria José Velásquez, Sebastián Zapata, Julián Cala, Mónica P. Foods Article In this study, we aimed to apply an untargeted LC/QTOF-MS analysis for the identification of compounds that positively and negatively affect the acceptance of coffee beverages from liquid coffee concentrates (CLCs) before and after storage. The metabolomic results were integrated with physicochemical and sensory parameters, such as color, pH, titratable acidity, and oxygen contents, by a bootstrapped version of partial least squares discriminant analysis (PLS-DA) to select and classify the most relevant variables regarding the rejection or acceptance of CLC beverages. The OPLS-DA models for metabolite selection discriminated between the percent sensory acceptance (the Accepted group) and rejection (the Rejected group). Eighty-two molecular features were considered statistically significant. Our data suggest that coffee sample rejection is associated with chlorogenic acid hydrolysis to produce ferulic and quinic acids, consequently generating methoxybenzaldehydes that impact the perceived acidity and aroma. Furthermore, acceptance was correlated with higher global scores and sweetness, as with lactones such as feruloyl-quinolactone, caffeoyl quinolactone, and 4-caffeoyl-1,5-quinolactone, and significant oxygen levels in the headspace. MDPI 2022-02-05 /pmc/articles/PMC8834377/ /pubmed/35159623 http://dx.doi.org/10.3390/foods11030473 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Quintero, Mónica Santander, Maria José Velásquez, Sebastián Zapata, Julián Cala, Mónica P. Exploring Chemical Markers Related to the Acceptance and Sensory Profiles of Concentrated Liquid Coffees: An Untargeted Metabolomics Approach |
title | Exploring Chemical Markers Related to the Acceptance and Sensory Profiles of Concentrated Liquid Coffees: An Untargeted Metabolomics Approach |
title_full | Exploring Chemical Markers Related to the Acceptance and Sensory Profiles of Concentrated Liquid Coffees: An Untargeted Metabolomics Approach |
title_fullStr | Exploring Chemical Markers Related to the Acceptance and Sensory Profiles of Concentrated Liquid Coffees: An Untargeted Metabolomics Approach |
title_full_unstemmed | Exploring Chemical Markers Related to the Acceptance and Sensory Profiles of Concentrated Liquid Coffees: An Untargeted Metabolomics Approach |
title_short | Exploring Chemical Markers Related to the Acceptance and Sensory Profiles of Concentrated Liquid Coffees: An Untargeted Metabolomics Approach |
title_sort | exploring chemical markers related to the acceptance and sensory profiles of concentrated liquid coffees: an untargeted metabolomics approach |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8834377/ https://www.ncbi.nlm.nih.gov/pubmed/35159623 http://dx.doi.org/10.3390/foods11030473 |
work_keys_str_mv | AT quinteromonica exploringchemicalmarkersrelatedtotheacceptanceandsensoryprofilesofconcentratedliquidcoffeesanuntargetedmetabolomicsapproach AT santandermariajose exploringchemicalmarkersrelatedtotheacceptanceandsensoryprofilesofconcentratedliquidcoffeesanuntargetedmetabolomicsapproach AT velasquezsebastian exploringchemicalmarkersrelatedtotheacceptanceandsensoryprofilesofconcentratedliquidcoffeesanuntargetedmetabolomicsapproach AT zapatajulian exploringchemicalmarkersrelatedtotheacceptanceandsensoryprofilesofconcentratedliquidcoffeesanuntargetedmetabolomicsapproach AT calamonicap exploringchemicalmarkersrelatedtotheacceptanceandsensoryprofilesofconcentratedliquidcoffeesanuntargetedmetabolomicsapproach |