指纹定量法评估知柏地黄丸指纹归属度和药效物质工艺收率

目的建立中药复方化学指纹成分归属度和工艺药效物质收率的完全定性定量分析的指纹定量法。方法指纹定量法遵循中，药复方化学指纹有机加和模型原理，首先进行指纹归属的定性分析，然后进行指纹归属定量分析，两者有机综合可解决中药复方化学指纹归属的定量问题和测定中药复方药效物质收率。使用相似性比Sb、拟合定性相似度Ssyn和双定性相似度及其均值判定单味药化学成分数量和分布比例；采用宏观定量相似度R和双定量相似度及其均值评判指纹归属度和工艺收率。结果该方法应用于知柏地黄丸的研究，评价出熟地黄对知柏地黄丸化学成分贡献最大，为君药，臣药是山茱萸、知母、泽泻和牡丹皮。用双定性双定量相似度及其均值，评价了10批市售知柏地黄丸的药效物质收率。结论指纹定量法能够客观、准确地定量描述单味药对复方制剂化学指纹的贡献大小和定量评价中药复方药效物质的工艺收率，是中药复方制剂化学指纹归属定量控制以及工艺优化的可行方法。

Fingerprint attribution ratio and process recovery of medicinally effective components for Zhibai Dihuangwan by quantified fingerprint method

Objective To establish a quantified fingerprint method to determine both the fingerprint attribution ratio and process recovery of medicinally effective components for qualitative and quantitative analyses of Zhibai Dihuangwan. Methods The quantified fingerprint method followed the principle of the organic addition model of chemical fingerprints for TCM-compound. The qualitative analyses of the attribution ratios were performed, and then the quantitative analyses. The combination of the above analyses could successfully disclose the results of attribution ratio and determine the process recovery of the medicinally effective components for Zhibai Dihuangwan. Jaccard similarity Sb, fitting similarity Ssyn, dual qualitative similarities and their mean value were used to decide the proportion of chemical quantity and distribution of each single medicine. The results of apparent quantitative similarity R and dual quantitative similarities were employed to quantitatively evaluate the single crude drug attribution ratio and process recovery of all chemical fingerprints in TCM-compounds. Results When the method was applied in Zhibai Dihuangwan, Radix Rehmanniae Praeparata was assessed to be the monarch drug in the compound; Cortez Phellodendri Chinesis, Fructus Corni, Rhizoma Alismatis, and Cortex moutan were minister drugs. The values of the dual qualitative similarities and dual quantitative similarities and their means showed lower process recovery of the medicinally effective components for 8 batches of market preparations. Conclusion The quantified fingerprint method can objectively and accurately reflect the contribution of single crude drug to the compound, and quantitatively evaluate the process recovery of medicinally effective components. It is feasible to quantitatively control the attribution ratio of chemical fingerprints and to optimize the technology of TCM-compounds.