摘要
目的优选出一种指纹图谱相似度评价方法,并结合多变量统计分析技术对逍遥片批次质量一致性进行全面、系统和科学评价。方法采集多批次逍遥片UPLC指纹图谱数据,通过相关系数、夹角余弦、欧氏距离、宏定性宏定量相似度,等同系数等方法进行相似度分析,根据各种计算方法特点,优选出一种相似度评价方法用于产品质量评价。同时,采用主成分分析(PCA)模式识别技术对逍遥片的总体质量进行分析评价,Hotelling's T2和DModX统计量监测不同批次产品质量。采用相似度计算与多变量统计分析综合评价批次产品质量一致性。结果通过对14批次逍遥片样品22个共有峰指纹图谱数据分析,传统的相似度计算方法评价出产品质量一致性较高。加权的等同系数评价方法相比较传统相似度评价方法,应用时根据峰面积信息及药理药效作用,不同指标设置不同权重系数,反映的信息更加全面、合理,更适用于产品质量评价。PCA分析中14批样品无异常批次,表明逍遥片批次一致性较高。Hotelling's T2和DModX的控制上限分别为25.1453和1.75。等同系数法从整体宏观评价批次间产品质量一致性,多变量统计分析根据评价结果可具体分析各色谱峰的贡献,二者结合起来能够更加全面的评价批次间产品质量一致性。结论建立的基于指纹图谱的相似度评价研究和多变量统计分析方法,能够更加全面系统的评价批次质量一致性,为中药生产质量控制研究提供借鉴。
Objective A fingerprint similarity evaluation method was optimized,and combined with multivariable statistical analysis technology to evaluate the quality consistency of Xiaoyao Tablets comprehensively,systematically,and scientifically.Methods UPLC fingerprint data of multiple batches of Xiaoyao Tablets were collected,and its similarities were performed by correlation coefficients,angle cosine,euclidean distance,macro qualitative and quantitative similarity,and equivalent coefficient.A similarity evaluation method was selected for product quality evaluation,according to the characteristics of various calculation methods.At the same time,pattern recognition technologies such as principal component analysis(PCA)was used to analyze and evaluate the overall quality of Xiaoyao Tables.Hotelling's T2 and DModX statistics were used to monitor the quality of different batches of products.The similarity calculation and multivariate statistical analysis were combined to evaluate the consistency of the quality of different batches of samples.Results By analyzing the fingerprint data of 22 common peaks of 14 batches of Xiaoyao Tablets,the quality of products had high consistency evaluated by traditional similarity calculation method.The weighted equivalent coefficient evaluation method was more suitable for product quality evaluation comparing with the traditional similarity evaluation method,as different weight coefficients were set for different indicators according to the peak area information and pharmacological effect and the information reflected was more comprehensive and reasonable.There were no abnormal batches in the 14 batches of samples in the PCA analysis,indicating the quality of products were relatively stable.The upper control limits of Hotelling's T2 and DModX were 25.1453 and 1.75,respectively.The equivalent coefficient method evaluates the quality of different batches of samples from a macro perspective,and the multivariate statistical analysis analyzes the contribution of each chromatographic peak based on evaluation results.The combination of the two methods can comprehensively evaluate the quality consistency of samples.Conclusion The similarity evaluation and multivariate statistical analysis method based on fingerprints established in this study can evaluate the quality consistency of samples comprehensively and systematically.The study also provides a reference for the research on quality control of traditional Chinese medicine.
作者
孙莹莹
孙巍
王萍
刘彦莉
张洪波
武玉
程实
章顺楠
叶正良
SUN Ying-ying;SUN Wei;WANG Ping;LIU Yan-li;ZHANG Hong-bo;WU Yu;CHENG Shi;ZHANG Shun-nan;YE Zheng-liang(Graduate School,Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China;International Department,Tasly Pharmaceutical Group Co.,Ltd.,Tianjin 300410,China;College of Pharmacy,Tianjin Medical University,Tianjin 300070,China;National&Local United Engineering Laboratory of TCM Advanced Manufacturing Technology,Tasly Pharmaceutical Group Co.,Ltd.,Tianjin 300410,China;Tasly Holding Group Co.,Ltd.,Tianjin 300410,China)
出处
《中草药》
CAS
CSCD
北大核心
2020年第20期5154-5165,共12页
Chinese Traditional and Herbal Drugs
基金
国家科技部“重大新药创制”科技重大专项(2018ZX09303024)。
关键词
指纹图谱
相似度
等同系数
多变量统计分析
逍遥片
一致性评价
权重系数
fingerprints
similarity
equivalent coefficient
multivariate statistical analysis
Xiaoyao Tablets
consistency evaluation
weight coefficient
作者简介
孙莹莹(1993-),女,在读硕士研究生,专业方向为药物制剂工艺及质量分析。Tel:13612199672,E-mail:yingsun2628@163.com;通信作者:叶正良Tel:(022)86342066,E-mail:yezl@tasly.com。
