基于指纹图谱结合化学模式识别对不同发酵程度曼地亚红豆杉曲的质量评价

目的 建立曼地亚红豆杉Taxus × media曲指纹图谱，对曼地亚红豆杉曲质量控制和资源开发提供科学依据。方法 采用HPLC法建立45批曼地亚红豆杉曲的指纹图谱，通过对照品比对，对共有峰进行指认，确定并建立7种有效成分含量的测定方法。在指纹图谱基础上，结合聚类分析、主成分分析及正交偏最小二乘法-判别分析等筛选出不同发酵程度曼地亚红豆杉曲间差异性标志物。结果 45批曼地亚红豆杉共有32个共有峰，指认了18种成分，相似度均大于0.9。通过聚类分析将不同发酵程度曼地亚红豆杉曲分为5类，主成分分析提取了4个主成分；综合分析筛选10-脱乙酰基巴卡亭Ⅲ、巴卡亭Ⅲ、三尖杉宁碱、紫杉醇、7-表紫杉醇、银杏双黄酮、金松双黄酮作为曼地亚红豆杉曲的质控成分，质量分数范围分别为0.071 5～0.123 7、0.124 5～0.117 1、0.113 5～0.126 1、0.122 5～0.162 7、0.071 0～0.089 3、0.809 1～1.110 2、1.003 1～1.994 8 mg/g。结论 建立的指纹图谱及多成分含量测定方法专属性强，稳定，可靠，为曼地亚红豆杉曲的质量控制及资源开发提供参考。

Quality evaluation of Taxus×media fermented materials (Mandiyahongdoushan Qu) with different fermentation degree based on fingerprint and chemical pattern recognition

Objective To establish the HPLC fingerprints of Taxus×media fermented materials (Mandiyahongdoushan Qu), so as to provide the scientific basis for the quality control and resources development of Mandiyahongdoushan Qu. Methods The fingerprints of 45 batches of Mandiyahongdoushan Qu were established by HPLC. The common peaks were identified by comparison with reference products, and seven methods for the determination of active components were established. On the basis of the fingerprints, clustering analysis, principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis were combined to analyze the differential markers of Mandiyahongdoushan Qu with different fermentation degree. Results There were 32 common peaks in 45 batches of Taxus×mediaQu, identifying 18 components. The similarity was all greater than 0.9. Mandiyahongdoushan Qu with different fermentation degrees were classified into five categories by clustering analysis; Four principal components were extracted by PCA; The comprehensive analysis screened 10-deacetylbaccatin III, baccatin III, cephalomannine, paclitaxel, 7-epipaclitaxel, ginkgo biflavonoids, and sciadopitysin as the active components, the contents of which ranged from 0.071 5—0.123 7, 0.124 5—0.117 1, 0.113 5—0.126 1, 0.122 5—0.162 7, 0.071 0—0.089 3, 0.809 1—1.110 2 and 1.003 1—1.994 8 mg/g, respectively. Conclusion The established fingerprinting and multi-component content determination methods were exclusive, stable and reliable. It can provide reference for the quality control and resource development of Mandiyahongdoushan Qu.