目的 采用UHPLC-Q-TOF-MS技术结合多元数据统计分析方法，针对白术芍药散水煎液中的化学组成进行分析，同时与药材未经炮制即配伍入药的情况进行比较，探讨中药炮制过程对白术芍药散中化学成分的影响。方法 采用正、负离子扫描模式检测，利用Peakview 1.2软件鉴别样品中化学成分，结合MarkerView 1.2.1软件对炮制前后样品进行主成分分析并寻找两者的特征差异性成分。结果 正、负离子检测模式下共匹配出化学成分183种，通过t检验发现差异性化学成分34种，差异性成分的主要来源为陈皮和防风。结论 药材经过炮制配伍入药对于白术芍药散的化学组成具有显著性影响，古籍中所载白术芍药散应采用炮制品进行组方用药具有实际的客观原因与深刻的科学内涵。

Objective UHPLC-Q-TOF-MS technology coupled with multivariate statistical analysis strategies was used to analyze the chemical composition of water decoction of Baizhu Shaoyao Powder (白术芍药散, BZSYP). Simultaneously, water decoction of this prescription composed with unprosessed herbal drugs was also tested for a purpose of comparison. Methods Both positive and negative ion scanning modes were applied for qualitative analysis with applications of Peakview 1.2 software to identify chemical components and MarkerView 1.2.1 software to search principal components for differences. Results A total of 183 chemical constituents were matched. A total of 34 differential chemical constituents were found by t-test, which contributed most of the differences and came from Pericarpium Citri Reticulatae and Saposhnikoviae Radix. Conclusion The processing of herbal drugs indeed showed a significant influence on the chemical composition of BZSYP, and it is of realistic and objective reasons that BZSYP should be composed with processed herbal drugs just as recorded in the ancient literature.

R284.1

国家自然科学基金资助项目(81873004);南京市科技计划项目(201812021)