Academic Journal
UPLC-Q-TOF-MS/MS-linked bioactivity-guided elucidation of tissue-specific chemical diversity in Tamarix austromongolica.
| Τίτλος: | UPLC-Q-TOF-MS/MS-linked bioactivity-guided elucidation of tissue-specific chemical diversity in Tamarix austromongolica. |
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| Συγγραφείς: | Guo J; State Key Laboratory of Natural Product Chemistry, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, China. Electronic address: gjj960326@163.com., Xu Z; School of Pharmaceutical Sciences, Peking University, Beijing 100191, China., Gao J; College of Food Science and Technology, Northwest University, Shaanxi 710069, China., Guo Y; College of Food Science and Technology, Northwest University, Shaanxi 710069, China., Ho CT; Department of Food Science, Rutgers University, NJ 08901, USA. Electronic address: ctho@sebs.rutgers.edu., Bai N; College of Food Science and Technology, Northwest University, Shaanxi 710069, China. Electronic address: nsbai@nwu.edu.cn. |
| Πηγή: | Journal of chromatography. A [J Chromatogr A] 2026 Aug 30; Vol. 1783, pp. 467141. Date of Electronic Publication: 2026 May 27. |
| Τύπος έκδοσης: | Journal Article |
| Γλώσσα: | English |
| Στοιχεία περιοδικού: | Publisher: Elsevier Country of Publication: Netherlands NLM ID: 9318488 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-3778 (Electronic) Linking ISSN: 00219673 NLM ISO Abbreviation: J Chromatogr A Subsets: MEDLINE |
| Imprint Name(s): | Original Publication: Amsterdam ; New York : Elsevier, 1993- |
| Ιατρικοί όροι (MeSH): | Tamaricaceae*/chemistry , Tamaricaceae*/metabolism , Tandem Mass Spectrometry*/methods , Plant Extracts*/chemistry , Plant Extracts*/pharmacology , Plant Extracts*/analysis , Plant Extracts*/metabolism, Chromatography, High Pressure Liquid/methods ; Flavonoids/analysis ; Flavonoids/metabolism ; Flavonoids/chemistry ; Anti-Inflammatory Agents/analysis ; Anti-Inflammatory Agents/pharmacology ; Anti-Inflammatory Agents/chemistry ; Metabolomics/methods ; Liquid Chromatography-Mass Spectrometry/methods ; Animals ; Molecular Docking Simulation ; Metabolome ; RAW 264.7 Cells |
| Περίληψη: | Tamarix austromongolica (TA), an endemic salt-tolerant tree species in northwestern China, remains largely unexplored in terms of its phytochemical composition. In this study, an untargeted metabolomics approach based on ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS/MS), combined with multivariate statistical analysis, was employed for the first time to systematically characterize the metabolite profiles of six TA parts, namely roots, barks, stems, flowers, seeds, and leaves. A total of 105 metabolites belonging to 20 structural classes were identified, among which flavonoids accounted for 33% of the total metabolite pool. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) revealed significant tissue-specific distribution patterns of metabolomes across the six parts, with flavonoids identified as the core chemical markers driving inter-tissue differentiation. Parallel in vitro anti-inflammatory screening of extracts from the six parts demonstrated that the leaf extract (TAL) possessed the highest safety margin and potent NO inhibitory activity. Network pharmacology and molecular docking analyses indicated that three major flavonoids in TAL-Tricin, Quercetin-3-O-β-d-glucuronide (Q3GA), and Diosmetin-could form high-affinity complexes with MAPK3, a key target in the PI3K-Akt/NF-κB signaling pathway, and molecular dynamics simulations further validated the binding stability of these complexes. This study provides systematic analytical method support and a scientific basis for the phytochemical characterization, bioactive part screening, and quality marker discovery of TA. (Copyright © 2026 Elsevier B.V. All rights reserved.) |
| Competing Interests: | Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. |
| Contributed Indexing: | Keywords: Anti-inflammatory activity; Flavonoids; Molecular docking; Multivariate statistical analysis; Tamarix austromongolica; UPLC-Q-TOF-MS/MS; Untargeted metabolomics |
| Substance Nomenclature: | 0 (Flavonoids) 0 (Plant Extracts) 0 (Anti-Inflammatory Agents) |
| Entry Date(s): | Date Created: 20260529 Date Completed: 20260629 Latest Revision: 20260629 |
| Update Code: | 20260630 |
| DOI: | 10.1016/j.chroma.2026.467141 |
| PMID: | 42214144 |
| Βάση Δεδομένων: | MEDLINE |
| ISSN: | 1873-3778 |
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| DOI: | 10.1016/j.chroma.2026.467141 |