The underappreciated diversity of furanocoumarins in grapefruits revealed by MassQL filtered molecular networking
Grapefruit is one of the most popular Citrus fruits, which is beneficial for health. Coumarins are the main secondary metabolites in grapefruits. The structural and functional diversity makes the comprehensive determination of coumarins in complex system necessary and challenging. Here a rapidly pro...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-01-01
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| Series: | Food Chemistry: X |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S259015752500080X |
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| author | Shilin Gong Guoyu Bai Yujuan Ban Meixian Liu Ying Liu Yuyao Wu Na Li Jian-Lin Wu |
| author_facet | Shilin Gong Guoyu Bai Yujuan Ban Meixian Liu Ying Liu Yuyao Wu Na Li Jian-Lin Wu |
| author_sort | Shilin Gong |
| collection | DOAJ |
| description | Grapefruit is one of the most popular Citrus fruits, which is beneficial for health. Coumarins are the main secondary metabolites in grapefruits. The structural and functional diversity makes the comprehensive determination of coumarins in complex system necessary and challenging. Here a rapidly profiling strategy integrating LC–MS and mass data filter tool MassQL with molecular networking for coumarin focusing was established. A total of 134 coumarins were tentatively annotated, including 17 potential new compounds. Analysis of structural characters revealed the large number of furanocoumarins and the biosynthesis preference of O-geranylation in grapefruits. Further analysis showed coumarins might differentiate grapefruit varieties. Moreover, typical biofunctions analysis indicated furanocoumarins contributed a lot to the total activities of grapefruits, when grapefruit-Thompson with a potential to generate better biological effects than grapefruit-Marsh. This study provided a comprehensive profiling strategy for coumarins, which could support the varieties selection when developing functional products of grapefruits. |
| format | Article |
| id | doaj-art-bb6c3ba1c2a74ee2bb26b50c1845b010 |
| institution | Kabale University |
| issn | 2590-1575 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Food Chemistry: X |
| spelling | doaj-art-bb6c3ba1c2a74ee2bb26b50c1845b0102025-02-12T05:32:40ZengElsevierFood Chemistry: X2590-15752025-01-0125102233The underappreciated diversity of furanocoumarins in grapefruits revealed by MassQL filtered molecular networkingShilin Gong0Guoyu Bai1Yujuan Ban2Meixian Liu3Ying Liu4Yuyao Wu5Na Li6Jian-Lin Wu7Faculty of Chinese Medicine & State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, MacauFaculty of Chinese Medicine & State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, MacauFaculty of Chinese Medicine & State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, MacauBayRay Innovation Center, Shenzhen Bay Laboratory, ChinaSchool of Basic Medical Sciences, Chengdu University, Chengdu 610106, Sichuan, ChinaFaculty of Chinese Medicine & State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, MacauFaculty of Chinese Medicine & State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Macau; Corresponding authors.Faculty of Chinese Medicine & State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Macau; Corresponding authors.Grapefruit is one of the most popular Citrus fruits, which is beneficial for health. Coumarins are the main secondary metabolites in grapefruits. The structural and functional diversity makes the comprehensive determination of coumarins in complex system necessary and challenging. Here a rapidly profiling strategy integrating LC–MS and mass data filter tool MassQL with molecular networking for coumarin focusing was established. A total of 134 coumarins were tentatively annotated, including 17 potential new compounds. Analysis of structural characters revealed the large number of furanocoumarins and the biosynthesis preference of O-geranylation in grapefruits. Further analysis showed coumarins might differentiate grapefruit varieties. Moreover, typical biofunctions analysis indicated furanocoumarins contributed a lot to the total activities of grapefruits, when grapefruit-Thompson with a potential to generate better biological effects than grapefruit-Marsh. This study provided a comprehensive profiling strategy for coumarins, which could support the varieties selection when developing functional products of grapefruits.http://www.sciencedirect.com/science/article/pii/S259015752500080XLC-MSFuranocoumarinsRapid profiling strategyO-geranylationActive coumarins. |
| spellingShingle | Shilin Gong Guoyu Bai Yujuan Ban Meixian Liu Ying Liu Yuyao Wu Na Li Jian-Lin Wu The underappreciated diversity of furanocoumarins in grapefruits revealed by MassQL filtered molecular networking Food Chemistry: X LC-MS Furanocoumarins Rapid profiling strategy O-geranylation Active coumarins. |
| title | The underappreciated diversity of furanocoumarins in grapefruits revealed by MassQL filtered molecular networking |
| title_full | The underappreciated diversity of furanocoumarins in grapefruits revealed by MassQL filtered molecular networking |
| title_fullStr | The underappreciated diversity of furanocoumarins in grapefruits revealed by MassQL filtered molecular networking |
| title_full_unstemmed | The underappreciated diversity of furanocoumarins in grapefruits revealed by MassQL filtered molecular networking |
| title_short | The underappreciated diversity of furanocoumarins in grapefruits revealed by MassQL filtered molecular networking |
| title_sort | underappreciated diversity of furanocoumarins in grapefruits revealed by massql filtered molecular networking |
| topic | LC-MS Furanocoumarins Rapid profiling strategy O-geranylation Active coumarins. |
| url | http://www.sciencedirect.com/science/article/pii/S259015752500080X |
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