title: Manufacturer identification and storage time determination of "Dong'e Ejiao" using near infrared spectroscopy and chemometrics.
abstract: We have developed a set of chemometric methods to address two critical issues in quality control of a precious traditional Chinese medicine (TCM), Dong'e Ejiao (DEEJ). Based on near infrared (NIR) spectra of multiple samples, the genuine manufacturer of DEEJ, e.g. Dong'e Ejiao Co., Ltd., was accurately identified among 21 suppliers by the fingerprint method using Hotelling T(2), distance to Model X (DModX), and similarity match value (SMV) as discriminate criteria. Soft independent modeling of the class analogy algorithm led to a misjudgment ratio of 6.2%, suggesting that the fingerprint method is more suitable for manufacturer identification. For another important feature related to clinical efficacy of DEEJ, storage time, the partial least squares-discriminant analysis (PLS-DA) method was applied with a satisfactory misjudgment ratio (15.6%) and individual prediction error around 1 year. Our results demonstrate that NIR spectra comprehensively reflect the essential quality information of DEEJ, and with the aid of proper chemometric algorithms, it is able to identify genuine manufacturer and determine accurate storage time. The overall results indicate the promising potential of NIR spectroscopy as an effective quality control tool for DEEJ and other precious TCM products.
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Hangzhou 310058, China.
authors.forename: Wen-Long
authors.initials: WL
authors.lastname: Li
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Hangzhou 310058, China.
authors.forename: Hai-Fan
authors.initials: HF
authors.lastname: Han
authors.affiliation: Shandong Dong'e Ejiao Co., Ltd., Liaocheng 252299, China.
authors.forename: Lu
authors.initials: L
authors.lastname: Zhang
authors.affiliation: Shandong Dong'e Ejiao Co., Ltd., Liaocheng 252299, China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Hangzhou 310058, China.
authors.forename: Hai-Bin
authors.initials: HB
authors.lastname: Qu
mesh_terms: D000465:Algorithms; D016002:Discriminant Analysis; D004339:Drug Compounding; D004355:Drug Stability; D004356:Drug Storage; D004365:Drugs, Chinese Herbal / Q000737:chemistry*; D006801:Humans; D016018:Least-Squares Analysis; D011786:Quality Control; D015203:Reproducibility of Results; D019265:Spectroscopy, Near-Infrared; D013997:Time Factors
chemical_list: D004365:Drugs, Chinese Herbal
keywords: Dong’e Ejiao; Manufacturer identification; Near infrared spectroscopy; Quality control; Storage time identification