Spectrofluorometric analysis combined with machine learning for geographical and varietal authentication, and prediction of phenolic compound concentrations in red wine

•Multi-block analysis of A-TEEM data classified wine according to variety and region.•A-TEEM with HPLC reference data was used for predicting phenolic concentrations.•PCA of phenolic compounds revealed differences among wine variety and region.•A-TEEM technique combined with chemometrics can be a ra...

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Veröffentlicht in:Food chemistry 2021-11, Vol.361, p.130149-130149, Article 130149
Hauptverfasser: Ranaweera, Ranaweera K.R., Gilmore, Adam M., Capone, Dimitra L., Bastian, Susan E.P., Jeffery, David W.
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Sprache:eng
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Zusammenfassung:•Multi-block analysis of A-TEEM data classified wine according to variety and region.•A-TEEM with HPLC reference data was used for predicting phenolic concentrations.•PCA of phenolic compounds revealed differences among wine variety and region.•A-TEEM technique combined with chemometrics can be a rapid tool for wine analysis. Fluorescence spectroscopy is rapid, straightforward, selective, and sensitive, and can provide the molecular fingerprint of a sample based on the presence of various fluorophores. In conjunction with chemometrics, fluorescence techniques have been applied to the analysis and classification of an array of products of agricultural origin. Recognising that fluorescence spectroscopy offered a promising method for wine authentication, this study investigated the unique use of an absorbance-transmission and fluorescence excitation emission matrix (A-TEEM) technique for classification of red wines with respect to variety and geographical origin. Multi-block data analysis of A-TEEM data with extreme gradient boosting discriminant analysis yielded an unrivalled 100% and 99.7% correct class assignment for variety and region of origin, respectively. Prediction of phenolic compound concentrations with A-TEEM based on multivariate calibration models using HPLC reference data was also highly effective, and overall, the A-TEEM technique was shown to be a powerful tool for wine classification and analysis.
ISSN:0308-8146
1873-7072
DOI:10.1016/j.foodchem.2021.130149