目的 基于溫膽湯指紋圖譜和指標(biāo)成分定量測定，結(jié)合化學(xué)計量學(xué)方法分析其共煎傳統(tǒng)湯劑（traditional decoction，TD）與單煎混合TD化學(xué)成分的差異，為溫膽湯等方藥科學(xué)制備和質(zhì)量控制提供參考。方法 采用HPLC法建立溫膽湯10批共煎TD與10批單煎混合TD的指紋圖譜，并評價其相似度；測定溫膽湯中腺苷、辛弗林、甘草苷、柚皮苷、橙皮苷、6-姜酚和環(huán)磷酸腺苷7種指標(biāo)成分的含量；采用主成分分析（principal component analysis，PCA）、多維標(biāo)度分析（multidimensional scaling analysis，MDSA）和正交偏最小二乘法-判別分析（orthogonal partial least squares discriminant analysis，OPLS-DA）對指標(biāo)成分進行數(shù)據(jù)分析。結(jié)果 以10批溫膽湯共煎TD的指紋圖譜生成共有模式圖譜，對照共有模式圖譜，共煎TD與單煎混合TD的指紋圖譜相似度分別為相似度1：0.897±0.043、0.845±0.069（n＝10，P＜0.01），相似度2：0.842±0.083、0.759±0.274（n＝10，P＞0.05）；通過指紋圖譜及指標(biāo)成分定量測定發(fā)現(xiàn)，溫膽湯共煎TD與單煎混合TD在化學(xué)成分種類上未見明顯差異，含量上溫膽湯共煎TD中腺苷、辛弗林、甘草苷、橙皮苷、6-姜酚的含量高于單煎混合TD（P＜0.01），分別為單煎混合TD的2.037、1.926、2.505、4.265、1.964倍，柚皮苷、環(huán)磷酸腺苷含量與單煎混合TD無顯著性差異（P＞0.05）；PCA、MDSA和OPLS-DA結(jié)果一致，可將溫膽湯共煎TD與單煎混合TD分為2類。結(jié)論 所建立的HPLC指紋圖譜結(jié)合PCA、MDSA和OPLS-DA及多成分定量測定能客觀、有效地顯示溫膽湯共煎TD與單煎混合TD中主要成分的差異，可為溫膽湯質(zhì)量控制和臨床合理用藥提供參考。

Objective Based on the fingerprint and quantitative determination of index components of Wendan Decoction, combined with chemometrics methods, the differences of chemical components between co-decoction traditional decoction (TD) and single decoction mixed TD were analyzed, which provided a reference for the scientific preparation and quality control of Wendan Decoction and other prescriptions. Methods The fingerprints of 10 batches of co-decocted TD and 10 batches of single-decocted mixed TD of Wendan Decoction were established by HPLC, and their similarities were evaluated. The contents of adenosine, synephrine, liquiritin, naringin, hesperidin, 6-gingerol and adenosine cyclophosphate in Wendan Decoction were determined. Principal component analysis (PCA), multidimensional scaling analysis (MDSA) and orthogonal partial least squares discriminant analysis (OPLS-DA) were used to analyze the data of the index components. Results The fingerprint of 10 batches of Wendan Decoction co-decoction TD was used to generate a common pattern map. Compared with common pattern map, the similarity of fingerprint of co-decoction TD and single decoction mixed TD was similarity 1: 0.897 ± 0.043 and 0.845 ± 0.069 (n = 10, P < 0.01); similarity 2: 0.842 ± 0.083, 0.759 ± 0.274 (n = 10, P > 0.05). Through the fingerprint and quantitative determination of index components, it was found that there was no significant difference in the types of chemical components between the co-decoction TD and the single-decoction mixed TD. The contents of adenosine, synephrine, liquiritin, hesperidin and 6-gingerol in the co-decoction TD were higher than those in the single-decoction mixed TD (P < 0.01). They were 2.037, 1.926, 2.505, 4.265 and 1.964 times of single decoction mixed TD, respectively. There was no significant difference in the content of naringin and adenosine cyclophosphate between co-decoction TD and single decoction mixed TD (P > 0.05). The results of PCA, MDSA and OPLS-DA were consistent, and the Wendan Decoction co-decoction TD and single decoction mixed TD could be divided into two categories. Conclusion The established HPLC fingerprint combined with PCA, MDSA, OPLS-DA and multi-component quantitative determination can objectively and effectively show the difference of main components in Wendan Decoction co-decoction TD and single decoction mixed TD, which can provide reference for quality control and clinical rational drug use of Wendan Decoction.

R283.6

河南省自然科學(xué)基金項目杰出青年科學(xué)基金項目（242300421023）；河南省衛(wèi)生健康中青年學(xué)科帶頭人專項（HNSWJW-2020014）；河南省衛(wèi)生健康委國家中醫(yī)臨床研究基地科研專項（2021JDZY036）；2022年青年岐黃學(xué)者培養(yǎng)項目（No.［2022］256）；河南省衛(wèi)生健康委國家中醫(yī)臨床研究基地科研專項（2021JDZY014）