A Novel Data Fusion Strategy of GC-MS and 1H NMR Spectra for the Identification of Different Vintages of Maotai-flavor Baijiu,Journal of Agricultural and Food Chemistry

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A Novel Data Fusion Strategy of GC-MS and 1H NMR Spectra for the Identification of Different Vintages of Maotai-flavor Baijiu
Journal of Agricultural and Food Chemistry ( IF 5.7 ) Pub Date : 2024-06-24 , DOI: 10.1021/acs.jafc.4c00607
Biying Chen ₁ , Li Wang ₂ , Liming Wang ₁ , Yueran Han ₂ , Guokai Yan ₃ , Liangjie Chen ₃ , Changwen Li ₂ , Yu Zhu _{4,

5} , Jun Lu ₂ , Lifeng Han ₁

Affiliation

Counterfeit Baijiu has been emerging because of the price variances of real-aged Chinese Baijiu. Accurate identification of different vintages is of great interest. In this study, the combination of gas chromatography–mass spectrometry (GC-MS) and proton nuclear magnetic resonance (¹H NMR) spectroscopy was applied for the comprehensive analysis of chemical constituents for Maotai-flavor Baijiu. Furthermore, a novel data fusion strategy combined with machine learning algorithms has been established. The results showed that the midlevel data fusion combined with the random forest algorithm were the best and successfully applied for classification of different Baijiu vintages. A total of 14 differential compounds (belonging to fatty acid ethyl esters, alcohols, organic acids, and aldehydes) were identified, and used for evaluation of commercial Maotai-flavor Baijiu. Our results indicated that both volatiles and nonvolatiles contributed to the vintage differences. This study demonstrated that GC-MS and ¹H NMR spectra combined with a data fusion strategy are practical for the classification of different vintages of Maotai-flavor Baijiu.

更新日期：2024-06-24

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