目的 基于UPLC-Q/TOF-MS技术，分析掌叶大黄Rheum palmatum酒蒸前后的化学成分，运用植物代谢组学方法对掌叶大黄酒蒸前后化学成分进行对比，研究掌叶大黄酒蒸前后的化学成分变化。方法 采用ACQUITY UPLC^®HSS T3色谱柱（100 mm×2.1 mm，1.8 μm），以乙腈-0.1%甲酸水溶液为流动相，体积流量0.3 mL/min，在负离子模式下采集掌叶大黄生品及酒蒸品样品数据，并在此基础上使用正交偏最小二乘法-判别分析（orthogonal partial least squares discriminant analysis，OPLS-DA）研究8个不同产地、批次掌叶大黄炮制前后化学成分的差异。结果 全面分析了8批掌叶大黄生熟品的化学成分，共指认出115个成分（鉴定106个），包含糖类3个、鞣质类40个、酚酸类2个、黄酮类20个、二苯乙烯类6个、苯丁酮类6个、蒽醌类22个、色原酮类1个、蒽酮类6个，以及9个未知成分。基于植物代谢组学分析，发现酒蒸前后掌叶大黄化学成分明显不同，与掌叶大黄生品比较酒蒸后鞣质类、黄酮类、蒽醌类等6类共30个化学成分呈现差异，其中有6个成分酒蒸后显著上调，即没食子酸、儿茶素-7-O-葡萄糖苷、儿茶素-3-O-葡萄糖苷、槲皮素-3-O-葡萄糖苷、大黄素-8-O-葡萄糖苷和山柰酚；香叶木素-7-O-新橙皮苷、没食子酸-3-O-葡萄糖苷、1,6-二-O-没食子酰葡萄糖苷等22个成分酒蒸后显著下调。结论 掌叶大黄炮制前后化学成分结构发生改变，鞣质聚合体向鞣质单体转化，多级糖苷向次级糖苷和苷元转化，进一步阐释了掌叶大黄酒蒸加热过程成分变化的规律。

Objective Based on UPLC-Q/TOF-MS technology, the chemical components of Rheum palmatum were analyzed before and after steaming with wine. Methods of plant metabonomics were used to compare the chemical components of R. palmatum before and after steaming with wine and to study the changes. Methods The chromatography was performed on ACQUITY UPLC^®HSS T3 column (100 mm × 2.1 mm, 1.8 μm) with acetonitrile-0.1% formic acid aqueous solution as the mobile phase and a volume flow rate of 0.3 mL/min. The data of R. palmatum raw and steamed with wine products were collected in negative ion mode, and orthogonal partial least squares-discriminant analysis (OPLS-DA) was used to analyse the differences in chemical component of R. palmatum before and after steaming with wine in eight different origins and batches. Results The chemical components of eight batches of raw and steamed R. palmatum were analyzed comprehensively, and 115 components were obtained (106 were identified), including three saccharides, 40 tannins, two phenolic acids, 20 flavonoids, six stilbenes, six butyrophenones, 22 anthraquinones, one chromone, six anthrones and 9 unknown components. Based on plant metabonomics, it was found that the chemical components of R. palmatum were significantly different before and after steaming with wine. There were 30 chemical components in six categories, including tannins, flavonoids and anthraquinones showed differences after wine steaming when compared with raw R. palmatum. Six of these components were significantly elevated after wine steaming, including gallic acid, catechin-7-O-glucoside, catechin-3-O-glucoside, quercetin-3-O-glucoside, emodin-8-O-glucoside and kaempferol. However, the 22 components, such as diosmetin-7-O-neohesperidin, gallic acid-3-O-glucoside and 1,6-di-O-galloylglucoside, were significantly decreased after wine steaming. Conclusion The structures of R. palmatum’s chemical components changed after steaming, the tannin polymer transformed into tannin monomer and the polyglycosides transformed into secondary glycosides and aglycone, which further clarified the change rule of R. palmatum’s chemical components during steaming with wine.

R284.1

江苏省青年医学重点人才项目（QNRC2016635）；江苏省医学创新团队项目（CXTDB2017003）；国家中医药管理局重点研究室能力提升项目（2022GJJZDYJS_01）；南京中医药大学自然科学基金项目（XZR2020028）；2021年江苏省研究生科研与实践创新计划项目（SJCX21_0717）；2024年江苏省研究生实践创新计划（SJCX24_0923）