Characterize the dynamic changes of volatile compounds during the roasting process of Wuyi rock tea (Shuixian) integrating GC-IMS and GC x GC-O-MS combined with machine learning

文献类型： 外文期刊

第一作者： Duan, Yue

作者： Duan, Yue;Gao, Xing;Raza, Junaid;Sun, Huijuan;Wang, Ying;Song, Huanlu;Shi, Bolin;Yu, Mingguang;Xu, Yongquan

作者机构：

关键词： Shuixian; GC-IMS; GC x GC-O-MS; Random Forest; Roasting processing; Key differential aroma compounds

期刊名称：FOOD CHEMISTRY （ 影响因子：9.8； 五年影响因子：9.7 ）

ISSN： 0308-8146

年卷期： 2025 年 489 卷

页码：

收录情况： SCI

摘要： Understanding aroma compounds' changes during Shuixian roasting is vital for scientific guidance. This study used gas chromatography-ion mobility spectrometry (GC-IMS) and two-dimensional gas chromatography-olfactory-mass spectrometry (GC x GC-O-MS) to identify 100 and 183 compounds, respectively. The random forest algorithm combined with relative odor activity value (rOAV) was used to identify eight key differential compounds: 3-methylbutanal, (E)-2-octenal, 5-methylfurfural, 2-ethyl-5-methylpyrazine, 1-furfuryl pyrrole, 1-(1H-pyrrol-2-yl)-ethanone, 1-octen-3-ol, and (Z)-4-heptenal. The metabolic pathways of these compounds were analyzed, mainly involving the Maillard reaction and lipid oxidation. This study not only provides theoretical support for the targeted processing and quality control of Shuixian but also introduces a novel methodological framework by integrating advanced analytical techniques with machine learning, offering new insights into the dynamic changes of volatile compounds during tea roasting.

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