熏蒸
主成分分析
硫黄
化学
根(腹足类)
偏最小二乘回归
多元统计
线性判别分析
色谱法
人工智能
数学
有机化学
生物
计算机科学
统计
植物
生态学
作者
Yanhui Lv,Xiuru Xu,Yan-Ping Wei,Yunheng Shen,Wei Chen,Xin-Tong Wei,Jie Wang,Jiayun Xin,Junna He,Xianpeng Zu
出处
期刊:Metabolites
[MDPI AG]
日期:2023-01-30
卷期号:13 (2): 204-204
被引量:1
标识
DOI:10.3390/metabo13020204
摘要
Ophiopogonis Radix, also known as "Maidong" (MD) in China, is frequently sulfur-fumigated (SF) in the pretreatment process of MD to improve the appearance and facilitate preservation. However, the process leads to changes in chemical composition, so it is essential to develop an approach to identify the chemical characteristics between nonfumigated and sulfur-fumigated products. This paper provided a practical method based on UPLC-QTOF-MS combined Global Natural Products Social Molecular Networking (GNPS) with multivariate statistical analysis for the characterization and discrimination of MD with different levels of sulfur fumigation, high concentration sulfur fumigation (HS), low concentration sulfur fumigation (LS) and without sulfur fumigation (WS). First, a number of 98 compounds were identified in those MD samples. Additionally, the results of Principal component analysis (PCA) and Orthogonal partial least-squares-discriminant analysis (OPLS-DA) demonstrated that there were significant chemical differences in the chemical composition of MD with different degrees of SF. Finally, fourteen and sixteen chemical markers were identified upon the comparison between HS and WS, LS and WS, respectively. Overall, these results can be able to discriminate MD with different levels of SF as well as establish a solid foundation for further quality control and pharmacological research.
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