Park Jinyoung, Lee Jiho, Cho Chaeyeon, Lee Dong Kyo, Song Woohyun, Choi Kyeongwon, Choi Seong Yeon, Yang Heejung
Department of Pharmacy, Kangwon National University, Gangwondaehak-gil 1, Chuncheon, Gangwon, 24341, South Korea.
Sci Data. 2025 May 28;12(1):893. doi: 10.1038/s41597-025-05262-8.
Solvent polarity is a critical factor in metabolite extraction from plants, influencing the recovery of primary and secondary metabolites. Plants contain not only the primary metabolites but also a variety of secondary metabolites with low polarity, which favor a higher proportion of organic solvents. In this repository, 248 representative Korean medicinal plants were examined, and a total of 744 samples were prepared using water and ethanol as extraction solvents with three different polarities (100% water, 50% ethanol, and 100% ethanol). After the feature extraction of the scans corresponding to single compounds, 63,944 scans in the positive mode and 42,481 in the negative mode were subjected to in silico chemical class annotation tools. The chemical taxonomic types were summarized in the datasets, which will provide the significance of the proper solvent selection in plant metabolome research.
溶剂极性是从植物中提取代谢物的关键因素，影响着初级和次级代谢物的回收率。植物不仅含有初级代谢物，还含有多种低极性的次级代谢物，这有利于使用比例更高的有机溶剂。在本资源库中，对248种代表性韩国药用植物进行了检测，并使用水和乙醇作为具有三种不同极性的提取溶剂（100%水、50%乙醇和100%乙醇）制备了总共744个样品。在对对应单一化合物的扫描进行特征提取后，对正模式下的63944次扫描和负模式下的42481次扫描应用了计算机化学类别注释工具。化学分类类型在数据集中进行了总结，这将为植物代谢组学研究中合适溶剂的选择提供重要意义。
