本研究拟对款冬花蕾与花梗的化学组成差异进行比较。采用基于气质联用的代谢组学技术对花蕾与花梗的代谢组成差异进行分析,代谢产物的结构指认通过NIST数据库检索和标准品对照确定,GC-MS数据通过XCMS预处理后导入SIMCA-P软件进行多元统计分析;采用超高效液相色谱法对花蕾和花梗中吡咯里西啶生物碱的含量进行测定。结果基于GC-MS的代谢组学分析共鉴定了款冬中54个代谢产物,主成分分析显示款冬花蕾与花梗的代谢组成明显不同。OPLS-DA分析的载荷图显示,与花蕾相比,花梗中肌醇、香橙烯、豆甾醇、棕榈酸等化合物含量较低,而蔗糖、花生四烯酸等含量较高。此外,花蕾中吡咯里西啶生物碱含量为102 μg·g-1,明显高于花梗中的含量(64 μg·g-1)。款冬花蕾与花梗的化学组成存在较大差异,为了保证中医临床用药的安全有效,药用款冬花中应剔除花梗,并在质量标准检查项中规定花梗限量。
Flower bud of Tussilago farfara L. is a widely used herbal medicine in the Traditional Chinese Medicine. However, due to the increasing demands, adulteration with rachis is frequently encountered in the marketplace. In this study, chemical differences and pyrrolizidine alkaloid contents of flower bud and rachis were compared. No report demonstrated the chemical and pharmacological differences between flower bud and rachis before. Chemical differences between flower bud and rachis were compared by GC-MS based on metabolic approach, and the metabolites were identified by NIST data base search and comparison with the authentic standards. The transformed data matrix was introduced into SIMCA-P 11.0 software for multivariate analysis. Content of pyrrolizidine alkaloid was determined by UPLC. 54 metabolites were identified by GC-MS, and the PCA analysis revealed the clear separation between the rachis and flower bud, indicating the obvious chemical differences existing between them. The loading plot of OPLS-DA indicated that the rachis contained less inositol, aromadendrene, stigmasterol, palmitic acid, and more sucrose and arachidonic acid. UPLC results revealed that the flower bud contained more senkirkine (102 μg·g-1) than the rachis (64 μg·g-1). Due to the obvious chemical differences between the flower bud and rachis, to guarantee the clinical effect, rachis should be picked out before use, and set the limit of rachis in the quality standards.