title: Application of near infrared spectroscopy for rapid analysis of intermediates of Tanreqing injection.
abstract: A method for rapid quantitative analysis of four kinds of Tanreqing injection intermediates was developed based on Fourier transform near infrared (FT-NIR) spectroscopy and partial least squares (PLS) algorithm. The NIR spectra of 120 samples were collected in transflective mode. The concentrations of chlorogenic acid, caffeic acid, luteoloside, baicalin, ursodesoxycholic acid (UDCA), and chenodeoxycholic acid (CDCA) were determined with the HPLC-DAD/ELSD as reference method. In the PLS calibration, the NIR spectra were pretreated with different methods and the number of PLS factors used in the model calibration was optimized by leave-one-out cross-validation. The performance of the final PLS models was evaluated according to the root mean square error of calibration (RMSEC), root mean square error of cross-validation (RMSECV), root mean square error of prediction (RMSEP), BIAS, standard error of prediction (SEP), and correlation coefficients (R). The R values in the prediction sets were all higher than 0.93, and the SEPs for the 6 compounds are 1.18, 6.02, 2.71, 155, 126, 30.0mg/l, respectively. The established models were used for the liquid preparation process analysis of Tanreqing injection in three batches, and a model updating method was proposed for the long-term usage of the established models. This work demonstrated that NIR spectroscopy is more rapid and convenient than the conventional methods to analyze the intermediates of Tanreqing injection, and the presented method is helpful to the implementation of process analytical technology (PAT) in pharmaceutical industry of Chinese Medicines Injections.
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Hangzhou 310058, China.
authors.forename: Wenlong
authors.initials: W
authors.lastname: Li
authors.forename: Lihong
authors.initials: L
authors.lastname: Xing
authors.forename: Limin
authors.initials: L
authors.lastname: Fang
authors.forename: Jue
authors.initials: J
authors.lastname: Wang
authors.forename: Haibin
authors.initials: H
authors.lastname: Qu
mesh_terms: D002109:Caffeic Acids / Q000032:analysis; D002138:Calibration; D002635:Chenodeoxycholic Acid / Q000032:analysis; D002851:Chromatography, High Pressure Liquid; D004365:Drugs, Chinese Herbal / Q000032:analysis*; D005419:Flavonoids / Q000032:analysis; D007267:Injections; D016018:Least-Squares Analysis; D025341:Principal Component Analysis; D019265:Spectroscopy, Near-Infrared / Q000379:methods*; D014580:Ursodeoxycholic Acid / Q000032:analysis
chemical_list: D002109:Caffeic Acids; D004365:Drugs, Chinese Herbal; D005419:Flavonoids; C540817:tanreqing; D002635:Chenodeoxycholic Acid; C038044:baicalin; D014580:Ursodeoxycholic Acid; C040048:caffeic acid