摘要
目的:建立一种手持式近红外光谱技术与正交投影偏最小二乘法(orthogonal projection partial least squares,OPLS)相结合的快速检测姜黄丸原料混合物中姜黄素含量的方法。方法:取姜黄、炒蒺藜饮片,分别粉碎过筛,按照不同比例混合均匀,制备26个样本;采用HPLC方法测定样品中姜黄素含量,以测定值为标签值(Y),手持式近红外光谱仪分别采集每批样品的近红外光谱数据5次取平均值作为近红外基础数据(X,n=26);利用SIMCA 14.1软件进行光谱数据的预处理,利用k折交叉验证方法建立姜黄丸的正交投影偏最小二乘法(OPLS)定量校正模型Y=M(X)。结果:预测Y值与实测Y值OPLS模型回归方程的决定系数R2为0.9893,RMSECV为0.0751;采用Permutation(置换检验)对模型进行内部验证,结果发现模型没有出现过拟合,模型预测效果良好。结论:利用手持式近红外光谱仪可以实现对姜黄丸原料混合物的快速、无损检测。
Objective To establish a method for the rapid determination of curcumin in Jianghuang pills by handheld near infrared spectroscopy combined with orthogonal projection partial least squares(OPLS).Methods 26 samples were pre⁃pared by pulverizing turmeric and stir-fried tribulus teristus and mixing them evenly according to different proportions.The content of curcumin in powder samples was determined by HPLC,and the value was taken as the label value(Y).The near-infrared spectral data of each batch of mixed powder samples were collected by hand-held NIR spectrometer for 5 times,and the mean value was taken as the basic near-infrared data(X,n=26).SIMCA14.1 software was used to prepro⁃cess the spectral data,and the k-fold cross-validation method was used to establish the orthogonal projection partial least squares(OPLS)and quantitatively calibrate Y=M(X)model of Jianghuang Pills.Results The determination coefficient R2 of the OPLS model regression equation between predicted and measured Y values was 0.9893,and RMSECV was 00751.Permutation test was used to verify the model internally,and the results showed that the model did not appear over⁃fitting,and the model prediction effect was good.Conclusion The use of a handheld near-infrared spectrometer can achieve rapid and non-destructive detection of raw material mixtures of Jianghuang pills.
作者
谢梦迪
桂新景
曹英杰
岳佑凇
王艳丽
施钧瀚
张璐
姚静
刘瑞新
XIE Meng-di;GUI Xin-jing;CAO Ying-jie;YUE You-song;WANG Yan-li;SHI Junhan;ZHANG Lu;YAO Jing;LIU Rui-xin(Henan University of Chinese Medicine;Department of Pharmacy,The First Affiliated Hospital of Henan University of Chinese Medicine;Evaluation and Transformation Engineer-ing Research Center of Clinical Application of Traditional Chinese Medicine in Henan Province;Co-construction Collabora-tive Innovation Center for Chinese Medicine and Respiratory Diseases by Henan&Education Ministry of P.R.China,Henan University of Traditional Chinese Medicine;Henan Key Laboratory for Clinical Pharmacy of Traditional Chinese Medicine,Zhengzhou,Henan 450000,China)
出处
《湖北医药学院学报》
CAS
2023年第2期115-120,共6页
Journal of Hubei University of Medicine
基金
国家自然科学基金面上项目(81773892)
河南省中医药拔尖人才培养项目(重点项目)(2019ZYBJ07)
河南省高层次人才特殊支持“中原千人计划”-“中原青年拔尖人才”项目(ZYQR201912158)
河南省卫生健康中青年学科带头人专项(HNSWJW-2020014)
河南省中医管理局2022年度河南省中医药科学研究专项课题(2022ZY1050)
中管局基地专项(2018JDZX087)
河南省中医药科学研究专项课题(2021JDZY104)。
