title: Chemometrics applied to quality control and metabolomics for traditional Chinese medicines.
abstract: Traditional Chinese medicines (TCMs) bring a great challenge in quality control and evaluating the efficacy because of their complexity of chemical composition. Chemometric techniques provide a good opportunity for mining more useful chemical information from TCMs. Then, the application of chemometrics in the field of TCMs is spontaneous and necessary. This review focuses on the recent various important chemometrics tools for chromatographic fingerprinting, including peak alignment information features, baseline correction and applications of chemometrics in metabolomics and modernization of TCMs, including authentication and evaluation of the quality of TCMs, evaluating the efficacy of TCMs and essence of TCM syndrome. In the conclusions, the general trends and some recommendations for improving chromatographic metabolomics data analysis are provided.
authors.affiliation: Department of Pharmacy, Xiangya hospital, Central South University, Changsha 410008, PR China. Electronic address: liushao999@hotmail.com.
authors.forename: Shao
authors.initials: S
authors.lastname: Liu
authors.affiliation: College of Chemistry and Chemical Engineering, Research Center of Modernization of Chinese Medicines, Central South University, Changsha 410083, PR China. Electronic address: yizeng_liang@263.net.
authors.forename: Yi-Zeng
authors.initials: YZ
authors.lastname: Liang
authors.affiliation: Department of Pharmacy, Xiangya hospital, Central South University, Changsha 410008, PR China.
authors.forename: Hai-Tao
authors.initials: HT
authors.lastname: Liu
mesh_terms: D002845:Chromatography / Q000379:methods / Q000592:standards; D004365:Drugs, Chinese Herbal / Q000032:analysis*; D055432:Metabolomics / Q000379:methods / Q000592:standards
chemical_list: D004365:Drugs, Chinese Herbal
keywords: Chemometrics; Chromatographic fingerprinting; Metabolomics; Traditional Chinese medicine