A comparative UHPLC-QTOF-MS/MS-based metabolomics approach reveals the metabolite profiling of wolfberry sourced from different geographical origins

Li, Yanting; Wang, Xiaoying; Sa, Yuping; Li, Liuyan; Wang, Weibiao; Yang, Lingling; Ding, Shuqin; Wilson, Gidion; Yang, Youyue; Zhang, Yue; Ma, Xueqin

doi:10.1016/j.fochx.2024.101221

Food Chemistry: X

2024

DOI: 10.1016/j.fochx.2024.101221

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A comparative UHPLC-QTOF-MS/MS-based metabolomics approach reveals the metabolite profiling of wolfberry sourced from different geographical origins

Yanting Li,

Xiaoying Wang,

Yuping Sa

et al.

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Cited by 2 publications

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A comprehensive strategy of lipidomics and pharmacokinetics based on ultra‐high‐performance liquid chromatography‐mass spectrometry of Shaoyao Gancao Decoction

Li,

Xie,

et al. 2024

J of Separation Science

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Shaoyao Gancao Decoction (SGD), a traditional Chinese medicine, has been proven to have a good liver protection effect, but the mechanism and pharmacodynamic substances of SGD in the treatment of acute liver injury are still unclear. In this study, an ultra‐high‐performance liquid chromatography‐quadrupole‐time‐of‐flight mass spectrometry (UHPLC‐Q‐TOF‐MS) method was established to characterize 107 chemical components of SGD and 12 compounds absorbed in rat plasma samples after oral administration of SGD. Network pharmacology was applied to construct a component‐target‐pathway network to screen the possible effective components of SGD in acute liver injury. Using lipidomics based on UHPLC‐Q‐TOF‐MS coupled with a variety of statistical analyses, 20 lipid biomarkers were screened and identified, suggesting that the improvement of acute liver injury by SGD was involved in cholesterol metabolism, glycerol‐phospholipid metabolism, sphingolipid signaling pathways and fatty acid biosynthesis. In addition, the UHPLC‐tandem MS method was established for pharmacokinetics analysis, and 10 potential active components were determined simultaneously within 12 min through the optimization of 0.1% formic acid water and acetonitrile as a mobile phase system. A Pharmacokinetics study showed that paeoniflorin, albiflorin, oxypaeoniflorin, liquiritigenin, isoliquiritigenin, liquiritin, ononin, formononetin, glycyrrhizic acid, and glycyrrhetinic acid as the potential active compounds of SGD curing acute liver injury.

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A comprehensive strategy of lipidomics and pharmacokinetics based on ultra‐high‐performance liquid chromatography‐mass spectrometry of Shaoyao Gancao Decoction

Li,

Xie,

et al. 2024

J of Separation Science

View full text Add to dashboard Cite

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Untargeted Metabolomics and Soil Community Metagenomics Analyses Combined with Machine Learning Evaluation Uncover Geographic Differences in Ginseng from Different Locations

Cui,

Pan,

Feng

et al. 2024

J. Agric. Food Chem.

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Panax ginseng C.A. Meyer, known as the "King of Herbs," has been used as a nutritional supplement for both food and medicine with the functions of relieving fatigue and improving immunity for thousands of years in China. In agricultural planting, soil environments of different geographical origins lead to obvious differences in the quality of ginseng, but the potential mechanism of the differences remains unclear. In this study, 20 key differential metabolites, including ginsenoside Rb1, glucose 6phosphate, etc., were found in ginseng from 10 locations in China using an ultra-high performance liquid chromatographyquadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS)-untargeted metabolomics approach. The soil properties were analyzed and combined with metagenomics technology to explore the possible relationships among microbial elements in planting soil. Through Spearman correlation analysis, it was found that the top 10 microbial colonies with the highest abundance in the soil were significantly correlated with key metabolites. In addition, the relationship model established by the random forest algorithm and the quantitative relationship between soil microbial abundance and ginseng metabolites were successfully predicted. The XGboost model was used to determine 20(R)-ginseng Rg2 and 2′(R)-ginseng Rg3 as feature labeled metabolites, and the optimal ginseng production area was discovered. These results prove that the accumulation of metabolites in ginseng was influenced by microorganisms in the planting soil, which led to geographical differences in ginseng quality.

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A comparative UHPLC-QTOF-MS/MS-based metabolomics approach reveals the metabolite profiling of wolfberry sourced from different geographical origins

Cited by 2 publications

References 28 publications

A comprehensive strategy of lipidomics and pharmacokinetics based on ultra‐high‐performance liquid chromatography‐mass spectrometry of Shaoyao Gancao Decoction

A comprehensive strategy of lipidomics and pharmacokinetics based on ultra‐high‐performance liquid chromatography‐mass spectrometry of Shaoyao Gancao Decoction

Untargeted Metabolomics and Soil Community Metagenomics Analyses Combined with Machine Learning Evaluation Uncover Geographic Differences in Ginseng from Different Locations

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