萨日娜　潘新波　顾志荣

摘要：目的 基于氣相色谱-质谱联用（GC-MS）代谢组学方法探讨甘肃不同产地当归中挥发性成分与药材生长环境的关系。方法 采用GC-MS技术测定31批甘肃不同产地当归药材样品中挥发性成分，并通过无监督模式的主成分分析（PCA）和有监督模式的偏最小二乘分析（PLS）对甘肃不同产地当归药材与其生长环境的关系进行分析和评价。结果 PCA结果表明，甘肃不同产地当归中挥发性成分与海拔、土壤类型具有相关性；PLS可将31批甘肃不同产地的当归样品依据海拔差异明显分为3类，不同海拔的当归样品中挥发性成分存在较为明显的差异；分析对比分析PCA和PLS得到的线性载荷图，可识别筛选出11个差异特征性成分，通过NIST11数据库检索，鉴定出其中7个差异性化合物。结论 甘肃不同产地当归中挥发性成分与其生长的海拔、土壤类型的交互影响具有明显相关性。

关键词：当归；甘肃；不同产地；气相色谱-质谱联用；主成分分析；偏最小二乘法

DOI：10.3969/j.issn.1005-5304.2018.06.020

中图分类号：R284.1 文献标识码：A 文章编号：1005-5304（2018）06-0082-05

Relationship Between Volatile Components in Angelicae Sinensis Radix from Different Regions in Gansu Province and Its Growing Environment with GC-MS-based Metabolomics

SA Ri-na1，2， PAN Xin-bo3， GU Zhi-rong1，2， LIU Jie-li1， SUN Yu-jing1，4， WANG Ya-li1，4

1. Gansu University of Chinese Medicine， Lanzhou 730000， China； 2. Gansu Provincial Hospital， Lanzhou 730000， China； 3. The Second Peoples Hospital of Lanzhou， Lanzhou 730000， China； 4. Key Laboratory of TCM Quality and Standard of Gansu Province， Lanzhou 730000， China

Abstract： Objective To explore the relationship between the volatile components in Angelicae Sinensis Radix from different regions of Gansu Province and its growing environment with metabolomics based on GC-MS. Methods The GC-MS method was used for detecting the volatile components in Angelicae Sinensis Radix from 31 different regions in Gansu province， and principal component analysis （PCA） and partial least squares （PLS） methods were used for analyzing and evaluating its relationship with the growing environment. Results The results of PCA showed that the volatile components in Angelicae Sinensis Radix from different regions in Gansu province were related to the altitude and the soil types. The PLS method could divide 31 samples of Angelicae Sinensis Radix from different regions in Gansu Province into three groups according to the difference of altitude. There were significant differences in the volatile components in the samples taken at different altitude regions. After analyzing linear loading plots from PCA and PLS， 11 charateristic components were screened out， including 7 compounds were identified by the retrieval of NIST11 database. Conclusion The volatile components in Angelicae Sinensis Radix from different regions in Gansu Province are closely related to the altitude and the soil type.

Keywords： Angelicae Sinensis Radix； Gansu Province； different regions； GC-MS； principal component analysis； partial least squares method

基金项目：国家自然科学基金（30960037）

通讯作者：王亚丽，E-mail：cnwy11166@hotmail.com

随着植物代谢组学的迅速发展，因其具有的整体性、系统性和综合性特点，逐渐在中医药研究、中药质量控制及中药资源开发等方面得到广泛重视。气相色谱-质谱联用（GC-MS）作为代谢组学重要分析技术，对整体性控制中药的质量及揭示药用植物中代谢物质的变化具有重要意义。主成分分析（PCA）是一种常用的无监督模式识别方法，是将原始数据进行降维处理，有效找出数据中最“主要”的信息[1]。……