基于近红外光谱指纹图谱技术鉴别不同特征知柏地黄丸(浓缩丸)  

Distinguishing Zhibai Dihuang Pills(Concentrated Pills)with Different Characteristics Based on NIRS Fingerprint

作　　者：郭晓玉[1] 张晓霞[2] 谢彩侠[1] 谢惠英[1] 耿晓桐 雷敬卫[1] GUO Xiaoyu;ZHANG Xiaoxia;XIE Caixia;XIE Huiying;GENG Xiaotong;LEI Jingwei(College of Pharmacy,Henan University of Chinese Medicine,Zhengzhou 450046,China;Department of Pharmacy,Zhengzhou Railway Vocational&Technical College,Zhengzhou 451460,China)

机构地区：[1]河南中医药大学药学院,郑州450046 [2]郑州铁路职业技术学院药学系,郑州451460

出　　处：《医药导报》2020年第7期985-989,共5页Herald of Medicine

基　　金：国家自然科学基金资助项目(81872950);河南省科技攻关计划项目(182102311156)。

摘　　要：目的建立快速、准确鉴别不同厂家及有效期内知柏地黄丸(浓缩丸)的近红外光谱(NIRS)指纹图谱技术。方法收集不同厂家及不同存放时间知柏地黄丸(浓缩丸)样品,采集其近红外原始光谱指纹图谱;采用化学计量学方法,提取不同特征知柏地黄丸近红外光谱的差异信息,以错判个数和性能指数(PI)为评价指标,考察不同光谱预处理方法、光谱范围对NIRS指纹图谱判别分析模型预测效果的影响,确定判别分析最佳的建模条件;采用三重交叉验证法对该模型的准确性进行检验。结果采用多元散射校正+二阶导数+滤波(MSC+SD+ND)光谱预处理方法,在7575.57~4157.77 cm^-1波段范围内建立的模型可以将不同厂家知柏地黄丸(浓缩丸)进行区分;采用MSC+卷积平滑(SG)光谱预处理方法,在8003.94~4195.20 cm^-1波段范围内所建立的模型可以有效鉴别有效期内与有效期外知柏地黄丸(浓缩丸)。结论该模型可以有效鉴别不同厂家及有效期内知柏地黄丸(浓缩丸)。Objective To rapidly and accurately distinguish Zhibai Dihuang Pills(concentrated pills)from different manufacturers and whether in the period of validity.Methods First,Zhibai Dihuang Pills from different manufacturers and different storage time were collected and the near infrared original spectral fingerprint of which were scanned;Then,extracting the variance formations from the near infrared original spectral of Zhibai Dihuang Pills with different characteristics by chemometrics method,the number of misjudgment and performance index(PI)were used as evaluation indexes to investigate the effect of different spectral pretreatment methods,spectral range on the discrimination effect of near infrared reflectance spectroscopy(NIRS)fingerprint discriminant analysis models.and the best model conditions were confirmed;Last,by the triple cross validation method,the accuracy of the models were examined.Results Zhibai Dihuang Pills(concentrated pills)from different manufacturers can be distinguished in the conditions of the spectral pretreatment method of MSC+SD+ND(Multiplicative Scatter Correction+Second Derivative+Norris Derivative)and 7575.57-4157.77 cm^-1 band interval,the model established can distinguish the valid period and expired Zhibai Dihuang Pills(concentrated pills)in the condition of MSC+SG spectral pretreatment method and 8003.94-4195.20 cm^-1 band interval.Conclusion These modles can effectively distinguish Zhibai Dihuang Pills(concentrated pills)from different manufacturers and which in the valid period.

关 键 词：知柏地黄丸(浓缩丸) 近红外光谱 指纹图谱 判别分析 

分 类 号：R286[医药卫生—中药学] R927.1[医药卫生—中医学]