目的 全面研究四物汤四味饮片单、合煎成分组成及含量变化，探讨四物汤煎煮物质基础变化规律。方法 基于中药化学全息的理念，采用LC-MS/MS技术鉴定并归属四物汤煎液化学成分，建立超高效液相色谱法同时测定四物汤单煎、合煎液中多种主要化学成分含量方法；制备四物汤四味饮片等体积、等倍数的单煎液及合煎液并检测，比较分析不同煎煮方式下四物汤物质基础差异及变化规律。结果 鉴定并归属四物汤中的72种成分，并对18种主要成分定量检测，定量指标成分在相应的质量浓度范围内线性关系良好，各自的平均加样回收率在97%~105%，RSD值均小于3%。对不同煎煮方式的样品对比分析可得，藁本内酯、正丁基苯酞、儿茶素、没食子酸、芍药苷溶出量受到溶剂倍数变化的影响，桃叶珊瑚苷、儿茶素、氧化芍药苷、芍药苷、毛蕊花糖苷受四物汤配伍合煎影响含量增加显著，相对于饮片单煎液，四物汤饮片合煎液成分种类变化不显著，多种成分含量明显变化。结论 通过化学全息研究，可较全面对比分析中药复方煎煮与单味饮片煎液化学成分的组成、含量，为研究探讨中药复方煎煮溶出规律提供新的视角，在中药质量研究方向进行了有益的探索。

Objective To study the content variation and chemical composition of Siwu Decoction between mixed decoction and single decoction comprehensively, and then explore variation rule of Siwu Decoction by different decocting methods based on material basis. Methods Components of Siwu Decoction were identified by LC-MS/MS and an UPLC wavelength switching method for simultaneously determining the contents of multiple compounds in Siwu Decoction was established based on the idea of TCM chemistry holography. The mixed and single decoction samples were prepared and tested. Experimental data was compared to analyze material basis differences and variation rule of Siwu Decoction by different decocting methods. Results A total of 72 compounds were identified and assigned, 18 compounds were quantitative detected and all of 18 analytes showed good linearity (R² ≥ 0.999) within the test range. The relative standard deviations of the precision, repeatability and stability were not exceeding 2.0%, and the recoveries were in the range of 97%-105%. Analysis of Siwu Decoction samples showed dissolution of ligustilide, 3-n-butylphthalide, catechin, gallic acid and paeoniflorin was affected by the change of solvent volume and dissolution of aucubin, catechin, oxypaeoniflorin, paeoniflorin and acteoside were higher in mixed decoction than single decoction obviously. Compared to single decoction, the kinds of compounds in mixed decoction did not change significantly but the content showed notable variety. Conclusion Through the study of chemistry holography, the composition and content of compounds in TCM mixed decoction and herbs single decoction can be compared and analyzed comprehensively to provide a new perspective for the study on the rule of TCM decoction and dissolution. TCM chemistry holography study may become a useful exploration of the TCM quality study.

R286.02

中国中医科学院中央级公益性科研院所基本科研业务项目（No.ZZ13-019）