Geoherbalism Metabolomic Analysis of Atractylodes lancea (Thunb.) DC. by LC-Triple TOF-MS/MS and GC-MS

Abstract

The rhizome of Atractylodes lancea (Thunb.) DC. (AL), called Maocangzhu in Chinese, is a geoherbalism medical herb in Jiangsu Province that is often used in the prescription of traditional Chinese medicine (TCM), such as for the treatment of COVID-19. The landform and climatic environment of each province varies greatly from south to north, which has an important influence on the chemical constituents in AL. However, there is a lack of research on the significance of its geoherbalism, especially in water-soluble parts other than volatile oil. In this study, eight known compounds were isolated and obtained as reference substances from AL. In addition, liquid chromatography coupled with triple-quadrupole time-of-flight tandem mass spectrometry (LC-triple TOF-MS/MS) and gas chromatography–mass spectrometry (GC-MS) were used to analyze and characterize chemical constituents from different habitats. Moreover, orthogonal partial least-squares discriminant analysis (OPLS-DA) was applied to reveal the differential metabolomics in AL from different habitats based on the qualitative information of the chemical constituents. Results showed that a total of 33 constituents from GC-MS and 106 constituents from LC-triple TOF-MS/MS were identified or inferred, including terpenoids, polyacetylenes, and others; meanwhile, the fragmentation pathways of different types of compounds were preliminarily deduced from the fragmentation behavior of the major constituents. According to the variable importance in projection (VIP) and p-values, only one volatile differential metabolite was identified by GC-MS screening: β-eudesmol. Overall, five differential metabolites were identified by LC-triple TOF-MS/MS screening: sucrose, 4(15),11-eudesmadiene; atractylenolide I, 3,5,11-tridecatriene-7,9-diyne-1,2-diacetate, and (3Z,5E,11E)-tridecatriene-7,9-diynyl-1-O-(E)-ferulate. This study provides metabolomic information for the establishment of a comprehensive quality evaluation system for AL.

High-performance grating-like SERS substrate based on machine learning for ultrasensitive detection of Zexie-Baizhu decoction

“…At present, most of the analysis of TCM prescriptions is devoted to separating and purifying compounds from the formula, and then using mass spectrometry, chromatography methods and some other coupled technologies to determine the mechanism of action between compounds [ [7] , [8] , [9] , [10] ]. However, the composition of TCM is complicated, and the whole process of separation and purification is complicated and laborious.…”

The investigation of thermal stability and GC-MS analysis of Acorus tatarinowii and Atractylodes lancea volatile oils treated by β cyclodextrin inclusion and Pickering emulsion technologies

“…Modern research has revealed that the volatile oil of Atractylodes lancea primarily composed of sesquiterpenes, possesses notable anticancer, antioxidant, anti-inflammatory, antibacterial, and hepatoprotective effects [ 3 ]. The chemical composition of the volatile oil of Atractylodes lancea is complex, with sesquiterpenes being its main constituents [ 4 ]. ATaAL-EO, drawn from these plants, can be leveraged as natural constituents for the formulation of diverse products like herbal harmonies, traditional Chinese medicine prescriptions, fragrances, food additives, and skin care products [ 5 , 6 ].…”