Comprehensive metabolome characterization and comparison between two sources of Dragon’s blood by integrating liquid chromatography/mass spectrometry and chemometrics
Dragon’s Blood (DB) serves as a precious Chinese medicine facilitating blood circulation and stasis dispersion. Daemonorops draco (D. draco; Qi-Lin-Jie) and Dracaena cochinchinensis (D. cochinchinenesis; Long-Xue-Jie) are two reputable plant sources for preparing DB. This work was designed to comprehensively characterize and compare the metabolome differences between D. draco and D. cochinchinenesis, by integrating liquid chromatography/mass spectrometry and untargeted metabolomics analysis. Offline two-dimensional liquid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry (2D-LC/IM-QTOF-MS), by utilizing a powerful hybrid scan approach, was elaborated for multicomponent characterization. Configuration of an XBridge Amide column and an HSS T3 column in offline mode exhibited high orthogonality (A0 0.80) in separating the complex components in DB. Particularly, the hybrid high-definition $ MS^{E} $-high definition data-dependent acquisition ($ HDMS^{E} $-HDDDA) in both positive and negative ion modes was applied for data acquisition. Streamlined intelligent data processing facilitated by the UNIFI™ (Waters) bioinformatics platform and searching against an in-house chemical library (recording 223 known compounds) enabled efficient structural elucidation. We could characterize 285 components, including 143 from D. draco and 174 from D. cochinchinensis. Holistic comparison of the metabolomes among 21 batches of DB samples by the untargeted metabolomics workflows unveiled 43 significantly differential components. Separately, four and three components were considered as the marker compounds for identifying D. draco and D. cochinchinenesis, respectively. Conclusively, the chemical composition and metabolomic differences of two DB resources were investigated by a dimension-enhanced analytical approach, with the results being beneficial to quality control and the differentiated clinical application of DB. Graphical abstract.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2024 |
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| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:416 |
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| Enthalten in: |
Analytical and bioanalytical chemistry - 416(2024), 7 vom: 27. Jan., Seite 1571-1587 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Lou, Jia [VerfasserIn] |
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| Links: |
Volltext [lizenzpflichtig] |
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| Themen: |
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| Anmerkungen: |
© The Author(s), under exclusive licence to Springer-Verlag GmbH, DE part of Springer Nature 2024. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. |
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| doi: |
10.1007/s00216-024-05159-2 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| 520 | |a Dragon’s Blood (DB) serves as a precious Chinese medicine facilitating blood circulation and stasis dispersion. Daemonorops draco (D. draco; Qi-Lin-Jie) and Dracaena cochinchinensis (D. cochinchinenesis; Long-Xue-Jie) are two reputable plant sources for preparing DB. This work was designed to comprehensively characterize and compare the metabolome differences between D. draco and D. cochinchinenesis, by integrating liquid chromatography/mass spectrometry and untargeted metabolomics analysis. Offline two-dimensional liquid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry (2D-LC/IM-QTOF-MS), by utilizing a powerful hybrid scan approach, was elaborated for multicomponent characterization. Configuration of an XBridge Amide column and an HSS T3 column in offline mode exhibited high orthogonality (A0 0.80) in separating the complex components in DB. Particularly, the hybrid high-definition $ MS^{E} $-high definition data-dependent acquisition ($ HDMS^{E} $-HDDDA) in both positive and negative ion modes was applied for data acquisition. Streamlined intelligent data processing facilitated by the UNIFI™ (Waters) bioinformatics platform and searching against an in-house chemical library (recording 223 known compounds) enabled efficient structural elucidation. We could characterize 285 components, including 143 from D. draco and 174 from D. cochinchinensis. Holistic comparison of the metabolomes among 21 batches of DB samples by the untargeted metabolomics workflows unveiled 43 significantly differential components. Separately, four and three components were considered as the marker compounds for identifying D. draco and D. cochinchinenesis, respectively. Conclusively, the chemical composition and metabolomic differences of two DB resources were investigated by a dimension-enhanced analytical approach, with the results being beneficial to quality control and the differentiated clinical application of DB. Graphical abstract | ||
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| 650 | 4 | |a Hybrid scan approach |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a Untargeted metabolomics |7 (dpeaa)DE-He213 | |
| 700 | 1 | |a Xu, Xiao-yan |4 aut | |
| 700 | 1 | |a Xu, Bei |4 aut | |
| 700 | 1 | |a Wang, Hong-da |4 aut | |
| 700 | 1 | |a Li, Xue |4 aut | |
| 700 | 1 | |a Sun, He |4 aut | |
| 700 | 1 | |a Zheng, Xin-yuan |4 aut | |
| 700 | 1 | |a Zhou, Jun |4 aut | |
| 700 | 1 | |a Zou, Ya-dan |4 aut | |
| 700 | 1 | |a Wu, Hong-hua |4 aut | |
| 700 | 1 | |a Wang, Yue-fei |4 aut | |
| 700 | 1 | |a Yang, Wen-zhi |4 aut | |
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