目的 通過對(duì)經(jīng)典名方補(bǔ)陽還五湯加減方共煎劑與單煎混合劑的化學(xué)成分差異分析,為補(bǔ)陽還五湯加減方的不同劑型臨床運(yùn)用提供理論依據(jù)。方法 基于超高效液相色譜-四極桿-飛行時(shí)間串聯(lián)質(zhì)譜法(ultra performance liquid chromatography-quadrupole-time-of-flight tandem mass,UPLC-Q-TOF-MS/MS)技術(shù),采用ACQUITY UPLC BEH C₁₈色譜柱(100 mm×2.1 mm,1.7 μm),以0.1%的甲酸乙腈溶液-0.1%的甲酸水溶液為流動(dòng)相,梯度洗脫,體積流量為0.35 mL/min,柱溫為40 ℃,采用電噴霧離子源(ESI),在負(fù)離子模式下進(jìn)行數(shù)據(jù)采集,并在此基礎(chǔ)上運(yùn)用Masslynx V4.2質(zhì)譜分析軟件分析并利用全球天然產(chǎn)物社會(huì)分子網(wǎng)絡(luò)系統(tǒng)(global natural products social. molecular networking,GNPS)和PubChem等數(shù)據(jù)庫進(jìn)行成分鑒定。結(jié)果 補(bǔ)陽還五湯加減方的共煎劑檢測到630個(gè)特征信號(hào),單煎混合劑檢測到724個(gè)特征信號(hào),兩者共有585個(gè)特征信號(hào),其中45個(gè)特征信號(hào)為共煎劑特有,139個(gè)特征信號(hào)為單煎混合劑特有。通過數(shù)據(jù)庫比對(duì),共鑒定73個(gè)成分,主要包括黃酮類(20種)、脂肪酸類(16種),苯丙素類(8種)及少量的三萜、鞣質(zhì)、蒽醌、糖苷類、生物堿及其他類化合物。其中,69種成分共同存在于共煎劑與單煎混合劑,4種成分為共煎劑特有。半定量分析表明,共煎劑與單煎混合劑化學(xué)成分差異顯著,其中,表兒茶素、棉子糖、肉桂酸在共煎劑中顯著高于單煎混合劑。而黃酮類成分如毛蕊異黃酮、芹糖基芹菜苷、芹菜素在共煎后含量下降。結(jié)論 通過對(duì)補(bǔ)陽還五湯加減方的共煎劑和單煎混合劑化學(xué)成分的系統(tǒng)研究,發(fā)現(xiàn)共煎劑與單煎混合劑化學(xué)成分差異明顯。這些差異為指導(dǎo)傳統(tǒng)湯劑與顆粒劑臨床應(yīng)用提供理論依據(jù)。

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 (補(bǔ)陽還五湯). 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

浙江省博士后科研項(xiàng)目（ZJ2022057）；浙江中醫(yī)藥大學(xué)青年自然科學(xué)基金項(xiàng)目（2024JKZKTS05）