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.

Profiling and analysis of multiple compounds in rhubarb decoction after processing by wine steaming using UHPLC–Q‐TOF‐MS coupled with multiple statistical strategies

“…And, the mechanism that how rhein in prepared rhubarb promote blood circulation is quite an interesting proposal for our further study. Compared with the previous reports [8,9], new chemical markers (p < 0.01) between raw rhubarb and prepared rhubarb were excavated including dimer of catechin, catechin, ( All of these chemical markers were firstly found and reported in this paper. And this new finding was mostly due to the analysis mode of target compounds searching, which had great advantage over nontarget compound searching, and would detect the interesting components successfully even at a trace concentration level, in which situation the peaks might usually be covered up by the noise of instruments.…”

“…Compared with the previous reports , new chemical markers ( p < 0.01) between raw rhubarb and prepared rhubarb were excavated including dimer of catechin, catechin, (–)epicatechin‐3‐ O ‐gallate, emodin, 2‐ O ‐ p ‐coumaroyl‐1‐ O ‐galloy‐β ‐d‐ glucose, sennoside A/sennoside B, 2‐ O ‐cinnamoyl‐1‐ O ‐galloy‐β ‐d‐ glucose/1‐ O ‐galloy‐6‐ O ‐cinnamoyl‐β ‐d‐ glucose, cassialoin, emodin‐8‐ O ‐(6′‐ O ‐malonyl)‐glucopyranoside, and 6‐methyl‐aloe‐emodin. All of these chemical markers were firstly found and reported in this paper.…”

Comparison of the chemical profiles of fresh‐raw and dry‐processed Juglans mandshurica

“…Sonication was the simplest and most effective method for preparing the sample solutions. The extraction efficiencies of different concentrations of methanol (80, 60, and 40% aqueous methanol, and pure methanol) at different extraction temperatures (30, 45, and 60°C) and different extraction times (15,30, and 60 min) were tested. The best extraction conditions were found to be pure methanol at 30°C for 30 min, which allowed optimal extraction of the main compounds tested and yielded relatively large amounts of the analytes.…”

“…The combination of UHPLC–Q‐TOF MS with multivariate statistical techniques, such as principal component analysis (PCA), is becoming an increasingly popular technique in the field of herbal drug analysis . The present study aimed to investigate and compare the main components in crude and processed BQLY samples using UHPLC–Q‐TOF MS coupled with multivariate data analysis.…”

Quantitative Analysis in Combination with Fingerprint Technology and Chemometric Analysis Applied for Evaluating Six Species of Wild Paris Using UHPLC-UV-MS

“…They, therefore, have been introduced and accepted by the WHO [4]. Fingerprints combined with the chemometric analysis are widely applied to investigate the difference of chemical profile among the samples [5, 6]. Moreover, quantitative analysis can offer the content variation of the bioactive components clearly.…”