Non-targeted metabolomic analysis of variation of volatile fractions of ginseng from different habitats by HS-SPME-GC-MS coupled with chemometrics

Gu, Wen-Ting; Li, Linyuan; Rui, Wenjing; Diao, Zhong-wen; Zhuang, Guo-Dong; Chen, Xiaomei; Qian, Zhengming; Wang, Shumei; Tang, Dan; Ma, Hongyan

doi:10.1039/d2ay01060g

Cited by 7 publications

(4 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The results showed that the intercepts of R 2 X and Q 2 Y were 0.628 and −2.03, respectively. R 2 X was more than 0.3, and Q 2 Y was less than 0.05, which further confirmed that the model had good reliability and persuasiveness 42 . The variable importance projection (VIP) was used to identify the differential markers among different origins.…”

Section: Resultsmentioning

confidence: 65%

Origin differentiation based on volatile constituents of genuine medicinal materials Quisqualis indica L. via HS‐GC‐MS, response surface methodology, and chemometrics

Dai,

Yang,

et al. 2024

Phytochemical Analysis

View full text Add to dashboard Cite

IntroductionQuisqualis indica L. (QIL) has a long history as a traditional Chinese herb in China, but the study of volatile components in QIL from different geographical sources has been relatively rare.ObjectivesTo establish an optimal headspace gas chromatography–mass spectrometry (HS‐GC‐MS) method to comprehensively analyse the volatile component profile and screen quality markers of QIL from different origins.MethodsResponse surface methodology (RSM) was used to optimise the conditions for headspace analysis. The volatile components of QIL from four main origins of southwest China were analysed and identified by HS‐GC‐MS. The similarity of all samples of QIL was evaluated by fingerprint. The differences of the volatile components in QIL from different origins were distinguished by chemometrics.ResultsAccording to the optimal conditions of RSM, a total of 31 volatile components were identified, including fatty acids, aldehydes, alcohols, alkyl pyrazines, and other volatile components. Similarity evaluation presented that there were 26 common volatile components with different contents in all samples. Principal component analysis (PCA) showed that QIL from four different origins could be roughly divided into four categories. Hierarchical cluster analysis (HCA) and orthogonal partial least squares discriminant analysis (OPLS‐DA) indicated that QIL from different origins had obvious regional characteristics.ConclusionThe optimised HS‐GC‐MS method provided a strategy to rapidly, effectively, and accurately elucidate the volatile component profile of QIL from different origins, and seven important differential components were screened for quality evaluation and origin traceability.

show abstract

Section: Resultsmentioning

confidence: 65%

Origin differentiation based on volatile constituents of genuine medicinal materials Quisqualis indica L. via HS‐GC‐MS, response surface methodology, and chemometrics

Dai,

Yang,

et al. 2024

Phytochemical Analysis

View full text Add to dashboard Cite

show abstract

“…The traditional identification methods of A. fructus , include tasting, sniffing, and visual inspection ( Hou et al, 2015 ), and although the identification speed is fast, the resulting description is relatively vague, subjective, and lacks objective quantitative criteria, which limits its practical applications. Modern identification methods include GC ( Xu et al, 2018 ), GC-MS( Wang et al, 2021a ; Gu et al, 2022 ), and DNA barcoding ( Huang et al, 2017 ; Lu et al, 2021 ) which have accurate and reliable results; however, the sample pretreatment is cumbersome, time-consuming and has high technical operational requirements. Therefore, a rapid and accurate quality identification method for A. fructus is urgently needed ( Gui et al, 2023 ).…”

Section: Introductionmentioning

confidence: 99%

Development of a variety and quality evaluation method for Amomi fructus using GC, electronic tongue, and electronic nose

et al. 2023

View full text Add to dashboard Cite

Amomi fructus is rich in volatile components and valuable as a medicine and edible spice. However, the quality of commercially available A. fructus varies, and issues with mixed sources and adulteration by similar products are common. In addition, due to incomplete identification methods, rapid detection of the purchased A. fructus quality is still an issue. In this study, we developed qualitative and quantitative evaluation models to assess the variety and quality of A. fructus using GC, electronic tongue, and electronic nose to provide a rapid and accurate variety and quality evaluation method of A. fructus. The models performed well; the qualitative authenticity model had an accuracy of 1.00 (n = 64), the accuracy of the qualitative origin model was 0.86 (n = 44), and the quantitative model was optimal on the sensory fusion data from the electronic tongue and electronic nose combined with borneol acetate content, with R2 = 0.7944, RMSEF = 0.1050, and RMSEP = 0.1349. The electronic tongue and electronic nose combined with GC quickly and accurately evaluated the variety and quality of A. fructus, and the introduction of multi-source information fusion technology improved the model prediction accuracy. This study provides a useful tool for quality evaluation of medicine and food.

show abstract

“…Zhou Siduo used an improved micro-screening model based on the Ellman method to screen 49 kinds of traditional Chinese medicine extracts for acetylcholinesterase (AChE) activity and calculate the inhibition rate. The results showed that P. cocos had a better ability to inhibit AChE [ 5 ].…”

Section: Introductionmentioning

confidence: 99%

Efficient Combination of Complex Chromatography, Molecular Docking and Enzyme Kinetics for Exploration of Acetylcholinesterase Inhibitors from Poria cocos

Hou

Liu

et al. 2023

Molecules

View full text Add to dashboard Cite

Poria cocos (P. cocos) is a traditional Chinese medicinal product with the same origin as medicine and food. It has diuretic, anti-inflammatory and liver protection properties, and has been widely used in a Chinese medicine in the treatment of Alzheimer’s disease (AD). This study was conducted to explore the activity screening, isolation of acetylcholinesterase inhibitors (AChEIs), and in vitro inhibiting effect of P. cocos. The aim was to develop a new extraction process optimization method based on the Matlab genetic algorithm combined with a traditional orthogonal experiment. Moreover, bio−affinity ultrafiltration combined with molecular docking was used to screen and evaluate the activity of the AChEIs, which were subsequently isolated and purified using high-speed counter−current chromatography (HSCCC) and semi−preparative high-performance liquid chromatography (semi−preparative HPLC). The change in acetylcholinesterase (AChE) activity was tested using an enzymatic reaction kinetics experiment to reflect the inhibitory effect of active compounds on AChE and explore its mechanism of action. Five potential AChEIs were screened via bio−affinity ultrafiltration. Molecular docking results showed that they had good binding affinity for the active site of AChE. Meanwhile, the five active compounds had reversible inhibitory effects on AChE: Polyporenic acid C and Tumulosic acid were non-competitive inhibitors; 3−Epidehydrotumulosic acid was a mixed inhibitor; and Pachymic acid and Dehydrotrametenolic acid were competitive inhibitors. This study provided a basis for the comprehensive utilization of P. cocos and drug development for the treatment of AD.

show abstract

Non-targeted metabolomic analysis of variation of volatile fractions of ginseng from different habitats by HS-SPME-GC-MS coupled with chemometrics

Abstract: Cultivated ginseng (CG), transplanted ginseng (TG) and mountain cultivated ginseng (MCG) classified by habitat types, all belong to Panax ginseng and were reported to have similar type of secondary metabolites....

Cited by 7 publications

References 31 publications

Origin differentiation based on volatile constituents of genuine medicinal materials Quisqualis indica L. via HS‐GC‐MS, response surface methodology, and chemometrics

Origin differentiation based on volatile constituents of genuine medicinal materials Quisqualis indica L. via HS‐GC‐MS, response surface methodology, and chemometrics

Development of a variety and quality evaluation method for Amomi fructus using GC, electronic tongue, and electronic nose

Efficient Combination of Complex Chromatography, Molecular Docking and Enzyme Kinetics for Exploration of Acetylcholinesterase Inhibitors from Poria cocos

Contact Info

Product

Resources

About