Gong Shilin, Bai Guoyu, Ban Yujuan, Liu Meixian, Liu Ying, Wu Yuyao, Li Na, Wu Jian-Lin
Faculty of Chinese Medicine & State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Macau.
BayRay Innovation Center, Shenzhen Bay Laboratory, China.
Food Chem X. 2025 Jan 26;25:102233. doi: 10.1016/j.fochx.2025.102233. eCollection 2025 Jan.
Grapefruit is one of the most popular 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 -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.
葡萄柚是最受欢迎的水果之一，对健康有益。香豆素是葡萄柚中的主要次生代谢产物。其结构和功能的多样性使得在复杂体系中对香豆素进行全面测定既必要又具有挑战性。在此，建立了一种将液相色谱-质谱联用（LC-MS）和质量数据过滤工具MassQL与分子网络相结合的快速分析策略，用于聚焦香豆素。共初步鉴定出134种香豆素，包括17种潜在新化合物。对结构特征的分析揭示了葡萄柚中大量的呋喃香豆素以及香叶基化的生物合成偏好。进一步分析表明，香豆素可能有助于区分葡萄柚品种。此外，典型生物功能分析表明，呋喃香豆素对葡萄柚的总活性贡献很大，其中汤普森葡萄柚比马叙葡萄柚具有产生更好生物学效应的潜力。本研究为香豆素提供了一种全面的分析策略，可为开发葡萄柚功能产品时的品种选择提供支持。
