Integrating Ultra‐High‐Performance Liquid Chromatography and Orbitrap High‐Resolution Mass Spectrometry, Feature‐Based Molecular Networking, and Network Medicine to Unlock Harvesting Strategies for Endangered Sinocalycanthus Chinensis

作者：Yingpeng Tong, Xin Li, Jiang Wan, Qi Zhou, Chunxiao Jiang, Na Li, Zexin Jin, Junjie Gu, Fan Li, Junmin Li · 发表于：Journal of Separation Science · 年份：2025 · DOI：10.1002/jssc.70072 · 被引用次数：8 · 研究领域：Metabolomics and Mass Spectrometry Studies、Protein Hydrolysis and Bioactive Peptides、Biochemical Analysis and Sensing Techniques

Evaluating the practical utility of endangered plant species is crucial for their conservation. Nevertheless, numerous endangered plants, including Sinocalycanthus chinensis, lack historical usage data, leading to a paucity of guidance in traditional pharmacological research. This gap impedes their development and potential utilization. Ultra-high-performance liquid chromatography and Orbitrap high-resolution mass spectrometry were employed to analyze the S. chinensis leaves collected at different harvesting times. Then, the metabolites were automatically annotated by a self-built R script in conjunction with characteristic fragment ions, neutral loss filtering, and feature-based molecular networking. By integrating metabolomics with network medicine analysis, the potential usage and optimal harvest times for S. chinensis were unlocked. A total of 305 metabolites were identified, with 66.8% annotated by self-built R script. A progressive increase in metabolite disparities was observed from May to August, followed by a relatively minor distinction from August to October. Notably diverse metabolites were detected in S. chinensis harvested during different periods, implying potential variations in efficacy. Network medicine analysis indicated possible therapeutic implications of S. chinensis for lung cancer, diabetes, bladder cancer, and Alzheimer's disease. Samples collected in May and September demonstrated exceptional efficacy. Harvesting was strategically conducted during th...