目的 基于代谢组学方法研究不同加工方法下粗茎秦艽Gentiana crassicaulis药材次生代谢化合物的差异，为优化粗茎秦艽药材的加工及干燥方法提供科学依据。方法 收集云南丽江产粗茎秦艽药材，分别进行产地和药厂加工，加工方式包括切片、原个子（不切片），干燥方式包括烘干、晒干和“发汗”。采用超高效液相色谱-离子阱-静电场轨道阱质谱（UPLC-LTQ-Orbitrap-MS）技术，结合多元统计分析方法，对各样品的次生代谢产物进行分析，筛查其差异性的特征化合物。结果 共鉴定出44个化学成分。主成分分析（principal component analysis，PCA）结果表明，根与芦头（根茎）的化学成分存在较大的差异，根的切片组、原个子组有明显区分。正交偏最小二乘法判别分析（orthogonal partial least squares discriminant analysis，OPLS-DA）表明，三年生药材质量优于二年生药材，根的质量优于芦头，切片组优于原个子组，不同干燥方法中晒干组药材的质量较优，药厂加工药材质量均优于产地加工药材，并分析得到各组间主要差异化合物。结论 粗茎秦艽药材加工时，建议选用三年生药材，去除芦头部位，并进行趁鲜切片及晒干处理。可为粗茎秦艽药材初加工工艺、质量控制与合理应用提供科学资料。

Objective To study the differences of secondary metabolites in underground part of Gentiana crassicaulis processed in different ways based on metabolomics, so as to provide scientific basis for optimizing its processing and drying methods. Methods G. crassicaulis, collected from Lijiang of Yunnan Province, was processed in the locality and pharmaceutical factory, respectively. The processing methods included slicing and whole roots (not slicing), and the drying methods included stoving, air drying and sweating. UPLC-LTQ-Orbitrap-MS technology and multivariate statistical analysis were used to analyze the secondary metabolites of each sample to screen the characteristic compounds with differences. Results A total of 44 chemical components were identified by analysis of all samples. The results of principal component analysis (PCA) showed that there were significant differences in the chemical composition between rhizomes and roots, and there were obvious differences between sliced roots and whole roots. The results of orthogonal partial least squares discriminant analysis (OPLS-DA) showed the quality of triennial materials was superior to that of biennial materials, the quality of roots was better than that of rhizomes, the quality of sliced roots was better than that of whole roots. The quality of materials by air drying was the best, and the quality of materials processed in pharmaceutical factory was better than that processed in the locality. The main differential compounds among different groups were also analyzed. Conclusion It is suggested to select triennial materials, remove the rhizomes and slice the roots when G. crassicaulis is processed. The results could provide the basis for the primary processing technology, quality control and rational application of G. crassicaulis.

R286.2

国家自然科学基金面上项目（82073959）；国家自然科学基金面上项目（81173654）；上海市卫生健康委员会中医药传承和科技创新项目（2022QN030）