| Title: | Automatic and non-targeted analysis of the volatile profile of natural and alkalized cocoa powders using SBSE-GC-MS and chemometrics |
| Author(s): | Quelal-Vasconez MA; Macchioni R; Livi G; Perez-Esteve E; Lerma-Garcia MJ; Talens P; Barat JM; Petersen MA; Bro R; |
| Address: | "Departamento de Tecnologia de Alimentos, Universitat Politecnica de Valencia, Camino de Vera, s/n, 46022 Valencia, Spain; Data Innovation, Quito, Ecuador; Agroindustrial and Food Engineering, Universidad de las Americas, Quito, Ecuador. Electronic address: maque@etsiamn.upv.es. Department of Chemical and Geological Sciences, University of Modena and Reggio Emilia, Modena, Italy. Department of Management, Sapienza University of Rome, Via del Castro Laurenziano 9, 00161 Rome, Italy. Departamento de Tecnologia de Alimentos, Universitat Politecnica de Valencia, Camino de Vera, s/n, 46022 Valencia, Spain. Department of Analytical Chemistry, University of Valencia, C/Dr. Moliner, 50, 46100 Burjassot, Valencia, Spain. Department of Food Science, University of Copenhagen, DK-1958 Frederiksberg, Denmark" |
| DOI: | 10.1016/j.foodchem.2022.133074 |
| ISSN/ISBN: | 1873-7072 (Electronic) 0308-8146 (Linking) |
| Abstract: | "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" |
| Keywords: | *Cacao/chemistry Chemometrics *Chocolate/analysis Gas Chromatography-Mass Spectrometry/methods Principal Component Analysis *Volatile Organic Compounds/analysis Alkalized cocoa powder Parafac2 Pls-da Sbse-gc-ms Volatile compounds; |
| Notes: | "MedlineQuelal-Vasconez, Maribel Alexandra Macchioni, Riccardo Livi, Greta Perez-Esteve, Edgar Lerma-Garcia, Maria Jesus Talens, Pau Barat, Jose Manuel Petersen, Mikael Agerlin Bro, Rasmus eng England 2022/05/16 Food Chem. 2022 Sep 30; 389:133074. doi: 10.1016/j.foodchem.2022.133074. Epub 2022 Apr 26" |
