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基于气相色谱-离子迁移谱(GC-IMS)和气相色谱-质谱联用(GC-MS)结合数据融合的生普洱茶挥发性成分分析及年份鉴别

Analysis of volatile compounds and vintage discrimination of raw Pu-erh tea based on GC-IMS and GC-MS combined with data fusion.

作者信息

Huang Haoran, Chen Xinyu, Wang Ying, Cheng Ye, Wu Xianzhi, Wu Caie, Xiong Zhixin

机构信息

College of Light Industry and Food Engineering, Nanjing Forestry University, Longpan Road 159, Nanjing 210037, China.

Optoelectronics Department of Changzhou Institute of Technology, Liaohe Road 666, Changzhou 213002, China.

出版信息

J Chromatogr A. 2025 Feb 22;1743:465683. doi: 10.1016/j.chroma.2025.465683. Epub 2025 Jan 14.

Abstract

Storage duration significantly influences the aroma profile of raw Pu-erh tea. To comprehensively investigate the differences in the volatile compounds across various vintages of raw Pu-erh teas and achieve the rapid classification of tea vintages, volatile compounds of raw Pu-erh tea with different years (2020-2023) were analyzed using a combination of gas chromatography-ion mobility spectrometry (GC-IMS) and gas chromatography-mass spectrometry (GC-MS). The datasets obtained from both techniques were integrated through low-level and mid-level data fusion strategies. Additionally, partial least squares discriminant analysis (PLS-DA) and random forest (RF) machine learning algorithms were applied to develop predictive models for the classification of tea storage durations. Consequently, GC-IMS and GC-MS identified 54 and 76 volatile compounds, respectively. Notably, the RF model, particularly when coupled with mid-level data fusion, exhibited exceptional predictive accuracy for tea storage time, reaching an accuracy of 100%. These findings provide a reference for elucidating the aroma characteristics of raw Pu-erh tea of different vintages and demonstrate that data fusion combined with machine learning has great potential for ensuring food quality.

摘要

储存时长对生普洱茶的香气特征有显著影响。为全面探究不同年份生普洱茶挥发性化合物的差异并实现茶叶年份的快速分类,采用气相色谱-离子迁移谱(GC-IMS)和气相色谱-质谱联用(GC-MS)相结合的方法,分析了不同年份(2020 - 2023年)生普洱茶的挥发性化合物。通过低层次和中层次数据融合策略整合了两种技术获得的数据集。此外,应用偏最小二乘判别分析(PLS-DA)和随机森林(RF)机器学习算法建立了茶叶储存时长分类的预测模型。结果,GC-IMS和GC-MS分别鉴定出54种和76种挥发性化合物。值得注意的是,RF模型,特别是与中层次数据融合相结合时,对茶叶储存时间具有出色的预测准确性,准确率达到100%。这些研究结果为阐明不同年份生普洱茶的香气特征提供了参考,并表明数据融合与机器学习相结合在确保食品质量方面具有巨大潜力。

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