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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
Authors:Min Wang  Jinfeng Fu  Huimin Guo  Yuan Tian  Fengguo Xu  Rui Song  Zunjian Zhang
Affiliation:1. Key Laboratory of Drug Quality Control and Pharmacovigilance (Ministry of Education), China Pharmaceutical University, Nanjing, China;2. State Key Laboratory of Natural Medicine, China Pharmaceutical University, Nanjing, China
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.
Keywords:Chemical markers  Chemometrics  Mass spectrometry  Processing  Rhubarb
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