| 引用本文: |
谢瑜, 杨梅萍, 王艾琳, 张小英, 饶斌, 向韵, 雷昌.基于GC-IMS和化学计量学分析不同颜色永顺莓茶挥发性有机物差异[J].湖南中医药大学学报,2026,46(3):509-519[点击复制] |
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| 基于GC-IMS和化学计量学分析不同颜色永顺莓茶挥发性有机物差异 |
| 谢瑜,杨梅萍,王艾琳,张小英,饶斌,向韵,雷昌 |
| (湖南中医药大学第二附属医院, 湖南 长沙 410005;湖南中医药大学, 湖南 长沙 410128;永顺县半山生态农业发展有限公司, 湖南 永顺 416700) |
| 摘要: |
| 目的 探讨不同颜色永顺莓茶挥发性有机物（VOCs）差异，为永顺莓茶的开发利用提供理论依据。方法 采用气相色谱-离子迁移谱（GC-IMS）对永顺紫色莓茶和绿色莓茶的VOCs进行检测，结合气相色谱保留指数数据库（NIST 2020 版）和IMS 迁移时间数据库进行鉴定，运用VOCal 04.03 数据处理软件，生成特征谱图以分析差异性成分，对GC-IMS 检出的VOCs峰体积进行主成分分析（PCA）、“最近邻”指纹分析、正交偏最小二乘判别分析（OPLS-DA），并以变量投影重要度（VIP）值＞1和聚类分析（CA）筛选不同颜色永顺莓茶的特征标志物。结果 从2种不同颜色永顺莓茶共获得了115种VOCs，定性鉴别出91种，包括醛类25种、酮类16种、醇类15种、酯类11种、萜类5种、吡嗪类5种、呋喃类5种、羧酸类5种及4种其他类成分。GC-IMS特征图谱显示，2 种永顺莓茶样品挥发性有机物种类基本一致，差异主要体现在相对含量上。PCA、“最近邻”指纹分析及OPLS-DA模型可以将2种颜色的永顺莓茶分辨开。以VIP值>1和CA分析筛选出21种VOCs可作为特征标记物用于两者区分。结论 两种不同颜色永顺莓茶的VOCs具有差异性，筛选出的特征VOCs可为两者的药效、物质基础及综合资源开发利用提供科学研究依据。 |
| 关键词: 莓茶 气相色谱-离子迁移谱 挥发性有机物 不同颜色 化学计量学 |
| DOI：10.3969/j.issn.1674-070X.2026.03.010 |
| 投稿时间：2025-11-26 |
| 基金项目:湖南省科技特派员服务乡村振兴项目——紫色莓茶培育关键技术研究及应用（2024RC8309）。 |
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| Comparative analysis of VOCs in different-colored Yongshun vine tea based on GC-IMS and chemometrics |
| XIE Yu, YANG Meiping, WANG Ailin, ZHANG Xiaoying, RAO Bin, XIANG Yun, LEI Chang |
| (The Second Hospital of Hunan University of Chinese Medicine, Changsha, Hunan 410005, China;Hunan University of Chinese Medicine, Changsha, Hunan 410128, China;Yongshun Banshan Ecological Agriculture Development Co., Ltd., Yongshun, Hunan 416700, China) |
| Abstract: |
| Objective To explore the differences in volatile organic compounds (VOCs) among different-colored Yongshun vine tea and provide a theoretical basis for its development and utilization. Methods Gas chromatography-ion mobility spectrometry (GC-IMS) was employed to check the VOCs in purple and green Yongshun vine tea. Identification was performed by combining the gas chromatography retention index database (NIST 2020) with the IMS migration time database. The VOCal 04.03 data processing software was used to generate characteristic fingerprints for analyzing differential components. Principal component analysis (PCA), "nearest-neighbor" fingerprint analysis, and orthogonal partial least squares discriminant analysis (OPLS-DA) were conducted on the peak volumes of VOCs checked by GC-IMS. Characteristic markers distinguishing the different-colored Yongshun vine tea were screened by using variable importance in projection (VIP) values > 1 and cluster analysis (CA). Results A total of 115 VOC peaks were checked in two different-colored Yongshun vine tea samples, among which 91 VOCs were identified, including 25 aldehydes, 16 ketones, 15 alcohols, 11 esters, 5 terpenoids, 5 pyrazines, 5 furans, 5 carboxylic acids, and 4 other types of components. GC-IMS fingerprints showed that the types of VOCs in the two samples were relatively consistent, while the differences were mainly reflected in relative contents. PCA, "nearest-neighbor" fingerprint analysis, and OPLS-DA models could clearly distinguish the two types of Yongshun vine tea. A total of 21 VOCs were screened as characteristic markers based on VIP > 1 and CA. Conclusion Significant differences in VOCs were observed between the two different-colored Yongshun vine tea samples. The screened characteristic VOCs can provide a scientific reference for further studies on their pharmacological, material basis, and comprehensive resource development and utilization. |
| Key words: vine tea GC-IMS volatile organic compounds different-colored chemometrics |
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