Comparative analysis and evaluation of wild and cultivated Radix Fici Simplicissimae using an UHPLC-Q-Orbitrap mass spectrometry-based metabolomics approach
Abstract Radix Fici Simplicissimae (RFS) is widely studied, and is in demand for its value in medicines and food products, with increased scientific focus on its cultivation and breeding. We used ultra-high-performance liquid chromatography quadrupole-orbitrap mass spectrometry-based metabolomics to...
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| Format: | Article |
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Nature Portfolio
2024-03-01
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| Series: | Scientific Reports |
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| Online Access: | https://doi.org/10.1038/s41598-024-58078-8 |
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| author | Kai-Xin Guo Yan-Fang Li Hui Tang Hao-Yang Wei Wei Zeng Xiao-Cui Yang Yan Luo Xue-Hong Ke |
| author_facet | Kai-Xin Guo Yan-Fang Li Hui Tang Hao-Yang Wei Wei Zeng Xiao-Cui Yang Yan Luo Xue-Hong Ke |
| author_sort | Kai-Xin Guo |
| collection | DOAJ |
| description | Abstract Radix Fici Simplicissimae (RFS) is widely studied, and is in demand for its value in medicines and food products, with increased scientific focus on its cultivation and breeding. We used ultra-high-performance liquid chromatography quadrupole-orbitrap mass spectrometry-based metabolomics to elucidate the similarities and differences in phytochemical compositions of wild Radix Fici Simplicissimae (WRFS) and cultivated Radix Fici Simplicissimae (CRFS). Untargeted metabolomic analysis was performed with multivariate statistical analysis and heat maps to identify the differences. Eighty one compounds were identified from WRFS and CRFS samples. Principal component analysis and orthogonal partial least squares discrimination analysis indicated that mass spectrometry could effectively distinguish WRFS from CRFS. Among these, 17 potential biomarkers with high metabolic contents could distinguish between the two varieties, including seven phenylpropanoids, three flavonoids, one flavonol, one alkaloid, one glycoside, and four organic acids. Notably, psoralen, apigenin, and bergapten, essential metabolites that play a substantial pharmacological role in RFS, are upregulated in WRFS. WRFS and CRFS are rich in phytochemicals and are similar in terms of the compounds they contain. These findings highlight the effects of different growth environments and drug varieties on secondary metabolite compositions and provide support for targeted breeding for improved CRFS varieties. |
| first_indexed | 2024-04-24T16:19:36Z |
| format | Article |
| id | doaj.art-468ba14cd46b4224ba60fb8771fb4705 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-04-24T16:19:36Z |
| publishDate | 2024-03-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-468ba14cd46b4224ba60fb8771fb47052024-03-31T11:15:41ZengNature PortfolioScientific Reports2045-23222024-03-0114111410.1038/s41598-024-58078-8Comparative analysis and evaluation of wild and cultivated Radix Fici Simplicissimae using an UHPLC-Q-Orbitrap mass spectrometry-based metabolomics approachKai-Xin Guo0Yan-Fang Li1Hui Tang2Hao-Yang Wei3Wei Zeng4Xiao-Cui Yang5Yan Luo6Xue-Hong Ke7Guangzhou University of Chinese MedicineGuangzhou University of Chinese MedicineGuangzhou University of Chinese MedicineGuangzhou University of Chinese MedicineGuangzhou University of Chinese MedicineQingyuan Traditional Chinese Medicine HospitalGuangzhou University of Chinese MedicineGuangzhou University of Chinese MedicineAbstract Radix Fici Simplicissimae (RFS) is widely studied, and is in demand for its value in medicines and food products, with increased scientific focus on its cultivation and breeding. We used ultra-high-performance liquid chromatography quadrupole-orbitrap mass spectrometry-based metabolomics to elucidate the similarities and differences in phytochemical compositions of wild Radix Fici Simplicissimae (WRFS) and cultivated Radix Fici Simplicissimae (CRFS). Untargeted metabolomic analysis was performed with multivariate statistical analysis and heat maps to identify the differences. Eighty one compounds were identified from WRFS and CRFS samples. Principal component analysis and orthogonal partial least squares discrimination analysis indicated that mass spectrometry could effectively distinguish WRFS from CRFS. Among these, 17 potential biomarkers with high metabolic contents could distinguish between the two varieties, including seven phenylpropanoids, three flavonoids, one flavonol, one alkaloid, one glycoside, and four organic acids. Notably, psoralen, apigenin, and bergapten, essential metabolites that play a substantial pharmacological role in RFS, are upregulated in WRFS. WRFS and CRFS are rich in phytochemicals and are similar in terms of the compounds they contain. These findings highlight the effects of different growth environments and drug varieties on secondary metabolite compositions and provide support for targeted breeding for improved CRFS varieties.https://doi.org/10.1038/s41598-024-58078-8DiscriminationMetabolomicsWild Radix Fici SimplicissimaeCultivated Radix Fici SimplicissimaeUPLC-Q-Orbitrap HRMS |
| spellingShingle | Kai-Xin Guo Yan-Fang Li Hui Tang Hao-Yang Wei Wei Zeng Xiao-Cui Yang Yan Luo Xue-Hong Ke Comparative analysis and evaluation of wild and cultivated Radix Fici Simplicissimae using an UHPLC-Q-Orbitrap mass spectrometry-based metabolomics approach Scientific Reports Discrimination Metabolomics Wild Radix Fici Simplicissimae Cultivated Radix Fici Simplicissimae UPLC-Q-Orbitrap HRMS |
| title | Comparative analysis and evaluation of wild and cultivated Radix Fici Simplicissimae using an UHPLC-Q-Orbitrap mass spectrometry-based metabolomics approach |
| title_full | Comparative analysis and evaluation of wild and cultivated Radix Fici Simplicissimae using an UHPLC-Q-Orbitrap mass spectrometry-based metabolomics approach |
| title_fullStr | Comparative analysis and evaluation of wild and cultivated Radix Fici Simplicissimae using an UHPLC-Q-Orbitrap mass spectrometry-based metabolomics approach |
| title_full_unstemmed | Comparative analysis and evaluation of wild and cultivated Radix Fici Simplicissimae using an UHPLC-Q-Orbitrap mass spectrometry-based metabolomics approach |
| title_short | Comparative analysis and evaluation of wild and cultivated Radix Fici Simplicissimae using an UHPLC-Q-Orbitrap mass spectrometry-based metabolomics approach |
| title_sort | comparative analysis and evaluation of wild and cultivated radix fici simplicissimae using an uhplc q orbitrap mass spectrometry based metabolomics approach |
| topic | Discrimination Metabolomics Wild Radix Fici Simplicissimae Cultivated Radix Fici Simplicissimae UPLC-Q-Orbitrap HRMS |
| url | https://doi.org/10.1038/s41598-024-58078-8 |
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