目的 通过对经典名方补阳还五汤加减方共煎剂与单煎混合剂的化学成分差异分析,为补阳还五汤加减方的不同剂型临床运用提供理论依据。方法 基于超高效液相色谱-四极杆-飞行时间串联质谱法(ultra performance liquid chromatography-quadrupole-time-of-flight tandem mass,UPLC-Q-TOF-MS/MS)技术,采用ACQUITY UPLC BEH C₁₈色谱柱(100 mm×2.1 mm,1.7 μm),以0.1%的甲酸乙腈溶液-0.1%的甲酸水溶液为流动相,梯度洗脱,体积流量为0.35 mL/min,柱温为40 ℃,采用电喷雾离子源(ESI),在负离子模式下进行数据采集,并在此基础上运用Masslynx V4.2质谱分析软件分析并利用全球天然产物社会分子网络系统(global natural products social. molecular networking,GNPS)和PubChem等数据库进行成分鉴定。结果 补阳还五汤加减方的共煎剂检测到630个特征信号,单煎混合剂检测到724个特征信号,两者共有585个特征信号,其中45个特征信号为共煎剂特有,139个特征信号为单煎混合剂特有。通过数据库比对,共鉴定73个成分,主要包括黄酮类(20种)、脂肪酸类(16种),苯丙素类(8种)及少量的三萜、鞣质、蒽醌、糖苷类、生物碱及其他类化合物。其中,69种成分共同存在于共煎剂与单煎混合剂,4种成分为共煎剂特有。半定量分析表明,共煎剂与单煎混合剂化学成分差异显著,其中,表儿茶素、棉子糖、肉桂酸在共煎剂中显著高于单煎混合剂。而黄酮类成分如毛蕊异黄酮、芹糖基芹菜苷、芹菜素在共煎后含量下降。结论 通过对补阳还五汤加减方的共煎剂和单煎混合剂化学成分的系统研究,发现共煎剂与单煎混合剂化学成分差异明显。这些差异为指导传统汤剂与颗粒剂临床应用提供理论依据。

Objective By analyzing the differences in chemical composition between the co-decoction and individually decocted mixed preparation of the modified Buyang Huanwu Decoction, this study aims to provide a theoretical basis for the clinical application of different dosage forms of the modified Buyang Huanwu Decoction (补阳还五汤). Methods Based on the UPLC-Q-TOF-MS/MS technique, the separation was performed on an ACQUITY UPLC BEH C₁₈ column (100 mm × 2.1 mm, 1.7 μm) with a gradient elution of 0.1% formic acid acetonitrile solution-0.1 % formic acid aqueous solution as the mobile phase, with a volumetric flow rate of 0.35 mL/min, and the column temperature of 40 ℃, and an electrospray ionisation source (ESI) was used. The data were collected in negative ion mode and analysed by Masslynx V4.2 mass spectrometry software on the basis of this method and the composition was identified by using the databases such as Global Natural Products Social. Molecular Networking (GNPS) and Pubmed. Identification. Results The co-decoction of the modified Buyang Huanwu Decoction was found to contain 630 characteristic signals, while the single-decoction mixture showed 724 signals, with 585 shared between them. The co-decoction had 45 unique signals, and the single-decoction mixture had 139 unique signals.Through database comparison, 73 compounds were identified, primarily including 20 flavonoids, 16 fatty acids, eight phenylpropanoids, and a small number of triterpenes, tannins, anthraquinones, glycosides, alkaloids, and other compounds. Among them, 69 compounds were common to both decoctions, while four compounds were unique to the co-decoction. Semi-quantitative analysis revealed significant differences in chemical composition between the co-decoction and single-decoction mixture. Specifically, epicatechin, raffinose, and cinnamic acid were significantly higher in the co-decoction, whereas flavonoids such as calycosin, apigetrin, and apigenin decreased after co-decoction. Conclusion Through a systematic study on the chemical components of the co-decoction and single-decoction mixture of the modified Buyang Huanwu Decoction, significant differences in chemical composition were observed between the co-decoction and single-decoction mixture. These differences provide a theoretical basis for guiding the clinical application of traditional decoctions and granule preparations.

R284.1

浙江省博士后科研项目（ZJ2022057）；浙江中医药大学青年自然科学基金项目（2024JKZKTS05）