Chemical differentiation of volatile compounds in crude and processed Atractylodis Macrocephalae Rhizoma by using comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry combined with multivariate data analysis

Abstract

In the present study, comprehensive 2D GC-TOF-MS combined with multivariate data analysis was applied to analyze the differences of the volatile components in crude and processed Atractylodis Macrocephalae Rhizoma (AMR) samples. As a result, 26 compounds that were found in crude AMR samples disappeared in processed AMR samples, and 19 compounds were newly generated and identified in AMR after processing with wheat bran. Meanwhile, principal component analysis demonstrated that there were significant chemical differences between crude and processed AMR samples, and processing procedure caused obvious quantitative and qualitative changes of volatile components in AMR. The established method could be used to explain the chemical differentiation between crude and processed AMR, and to further understand the processing mechanism of herbal medicines.

Differentiation of essential oils in Atractylodes lancea and Atractylodes koreana by gas chromatography with mass spectrometry

“…Cao et al. compared the main volatile components in crude and processed A. macrocephalae rhizome samples by using GC×GC–TOF‐MS coupled with multivariate data analysis. However, there have been no reports that compare the compositions of essential oils from A. lancea and A. koreana .…”

Investigation on Spectrum-Effect Correlation between Constituents Absorbed into Blood and Bioactivities of Baizhu Shaoyao San before and after Processing on Ulcerative Colitis Rats by UHPLC/Q-TOF-MS/MS Coupled with Gray Correlation Analysis

“…As an ancient pharmaceutical technology, a variety of processing methods are employed to process the crude medicinal herbs, including washing, cutting, baking, frying, calcining, roasting, steaming, blanching, and others, exerting the significant effects of reducing toxicity, relieving drug irritation, enhancing therapeutic effect, and increasing clinical applicability [6,7,8]. Current studies are mainly focused on the TCM processing effect on individual herbs, and few researchers have examined the effects of processing on Chinese herbal formulas, which could result in inconsistency with clinical medication practice [9,10]. On the basis of the theory of TCM and the Chinese Pharmacopoeia, the three herbs contained in BSS should be processed with specific traditional techniques to decrease harmful side-effects and improve the curative efficacy of the whole prescription.…”

Chemometrics-assisted chromatographic fingerprinting: An illicit methamphetamine case study

“…Chemical analysis can be accomplished comprehensively with the aid of second‐order instruments such as GC–MS as a powerful tool. GC–MS involves several merits, including high resolution power (in both chromatography and mass dimensions), high reproducibility and sensitivity, and low detection limits causing to be a versatile and common technique in miscellaneous areas such as biomarker research , crude oil analysis , environmental monitoring , and herbal medicine . Basic shortcomings such as spectral background, baseline drift, homoscedastic and heteroscedastic noise, peak shape deformation (non‐Gaussian peaks), low S/N ratio, and coelution (overlapped and/or embedded peaks) are common defects encountered in GC–MS .…”