Automatic and non-targeted analysis of the volatile profile of natural and alkalized cocoa powders using SBSE-GC-MS and chemometrics

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A total of 56 key volatile compounds present in natural and alkalized cocoa powders have been rapidly evaluated using a non-target approach using stir bar sorptive extraction gas chromatography mass spectrometry (SBSE-GC–MS) coupled to Parallel Factor Analysis 2 (PARAFAC2) automated in PARADISe. Principal component analysis (PCA) explained 80% of the variability of the concentration, in four PCs, which revealed specific groups of volatile characteristics. Partial least squares discriminant analysis (PLS-DA) helped to identify volatile compounds that were correlated to the different degrees of alkalization. Dynamics between compounds such as the acetophenone increasing and toluene and furfural decreasing in medium and strongly alkalized cocoas allowed its differentiation from natural cocoa samples. Thus, the proposed comprehensive analysis is a useful tool for understanding volatiles, e.g., for the quality control of cocoa powders with significant time and costs savings.

OriginalsprogEngelsk
Artikelnummer133074
TidsskriftFood Chemistry
Vol/bind389
Antal sider7
ISSN0308-8146
DOI
StatusUdgivet - 2022

Bibliografisk note

Funding Information:
The authors would like to acknowledge the financial support of the Spanish Government and European Regional Development Fund (Project RTC-2016-5241-2). M.Q.V thanks the Ministry of Higher Education, Science, Technology and Innovation (SENESCYT) of the Republic of Ecuador for her PhD grant, and to the Department of Food Science and Technology of the University of Copenhagen for the support during her research stay. The Olam Food Ingredients Company is acknowledged for proving part of the cocoa samples used herein.

Funding Information:
The authors would like to acknowledge the financial support of the Spanish Government and European Regional Development Fund (Project RTC-2016-5241-2). M.Q.V thanks the Ministry of Higher Education, Science, Technology and Innovation (SENESCYT) of the Republic of Ecuador for her PhD grant, and to the Department of Food Science and Technology of the University of Copenhagen for the support during her research stay. The Olam Food Ingredients Company is acknowledged for proving part of the cocoa samples used herein.

Publisher Copyright:
© 2022 Elsevier Ltd

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