title: Discrimination of crude and processed rhubarb products using a chemometric approach based on ultra fast liquid chromatography with ion trap/time-of-flight mass spectrometry.
abstract: Crude rhubarb subjected to different processing procedures will produce different therapeutic effects that are possibly due to processing-induced variation in chemical composition. In this study, a chemometric approach based on ultra fast liquid chromatography with ion trap/time-of-flight mass spectrometry was established to systematically investigate the chemical variations of rhubarb induced by different processing methods. The approach was validated based on pooled quality-control samples from two perspectives: the individual properties of variables and the bulk properties of samples. Orthogonal partial least squares discriminant analysis was introduced to compare the differences between crude and processed rhubarb products. A total of 20 significantly different markers were screened out and unambiguously/tentatively characterized. This research proved that a chemometric method based on ultra fast liquid chromatography with ion trap/time-of-flight mass spectrometry can comprehensively analyze the chemical variation of herbal medicine and provide evidence for a deeper understanding of the pharmacological activities of processed rhubarb products.
authors.affiliation: Key Laboratory of Drug Quality Control and Pharmacovigilance (Ministry of Education), China Pharmaceutical University, Nanjing, China.
authors.forename: Min
authors.initials: M
authors.lastname: Wang
authors.forename: Jinfeng
authors.initials: J
authors.lastname: Fu
authors.forename: Huimin
authors.initials: H
authors.lastname: Guo
authors.forename: Yuan
authors.initials: Y
authors.lastname: Tian
authors.forename: Fengguo
authors.initials: F
authors.lastname: Xu
authors.forename: Rui
authors.initials: R
authors.lastname: Song
authors.forename: Zunjian
authors.initials: Z
authors.lastname: Zhang
mesh_terms: D002851:Chromatography, High Pressure Liquid; D016002:Discriminant Analysis; D013058:Mass Spectrometry; D009930:Organic Chemicals / Q000032:analysis*; D011786:Quality Control; D012250:Rheum / Q000737:chemistry*; D013997:Time Factors
chemical_list: D009930:Organic Chemicals
keywords: Chemical markers; Chemometrics; Mass spectrometry; Processing; Rhubarb