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Untargeted metabolomics study of Lonicerae japonicae flos processed with different drying methods via GC-MS and UHPLC-HRMS in combination with chemometrics
Industrial Crops and Products ( IF 5.6 ) Pub Date : 2022-06-16 , DOI: 10.1016/j.indcrop.2022.115179
Shu-Fang Li , Xiao-Meng Guo , Xue-Fei Hao , Shu-Hui Feng , Yong-Jian Hu , Ya-Qin Yang , Hui-Feng Wang , Yong-Jie Yu

The medicinal values and economic benefits of Lonicerae japonicae flos are directly affect by the post-harvest processing due to the organoleptic and chemical properties. To explore the differences of Lonicerae japonicae flos obtained by various drying methods, untargeted metabolomics combined with chemometrics was first used to investigate the metabolite differences among them. The metabolomics analysis was accomplished by introducing automatic data analysis tools, i.e., autoGCMSDataAnal and AntDAS, which developed for gas chromatography-mass spectrometry (GC-MS) data analysis and ultrahigh performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS) data analysis, respectively. The results indicated that about 66 volatile compounds were screened and identified by autoGCMSDataAnal coupled with GC-MS, among which 29 compounds were confirmed qualitatively by standards. Meanwhile, 30 nonvolatile compounds were screened and identified by AntDAS combined with UHPLC-HRMS and 16 compounds were confirmed qualitatively by standards. In particular, most of polyphenols including rutin, cynaroside, isoquercetrin, chlorogenic acid etc., had their maximum content at the freeze drying and minimum at the shade drying. Finally, partial least squares discrimination analysis (PLS-DA), hierarchical clustering analysis (HCA) and heat map analysis were used for discriminating samples from various processing methods. Relative high-quality samples with good appearance characteristics could be obtained by freeze drying, heat-pump drying and hot air drying. Moreover, the antioxidant components were well preserved under freeze drying. The differences of primary and secondary metabolites in Lonicerae japonicae flos obtained with diverse drying methods were revealed, which could be helpful to determine the optimal drying method according to specific request.



中文翻译:

GC-MS、UHPLC-HRMS结合化学计量学对不同干燥方法处理金银花的非靶向代谢组学研究

金银花的药用价值和经济效益直接受到采后处理的影响,因为它的感官和化学性质。探讨不同干燥方法获得的金银花的差异,非靶向代谢组学结合化学计量学首先用于研究它们之间的代谢物差异。代谢组学分析是通过引入自动数据分析工具,即autoGCMSDataAnal和AntDAS来完成的,它们开发用于气相色谱-质谱(GC-MS)数据分析和超高效液相色谱-高分辨率质谱(UHPLC-HRMS)数据分析, 分别。结果表明,autoGCMSDataAnal结合GC-MS筛选鉴定了约66种挥发性化合物,其中29种化合物通过标准定性确认。同时,AntDAS结合UHPLC-HRMS对30种非挥发性化合物进行了筛选鉴定,16种化合物进行了标准定性鉴定。尤其是大部分多酚,包括芦丁、紫苏苷、异槲皮苷、绿原酸等,在冷冻干燥时含量最高,在阴干时含量最低。最后,偏最小二乘判别分析(PLS-DA)、层次聚类分析(HCA)和热图分析用于从各种处理方法中区分样本。通过冷冻干燥、热泵干燥和热风干燥可以得到相对优质、外观特征较好的样品。此外,抗氧化成分在冷冻干燥下保存完好。揭示了不同干燥方法获得的金银花初级和次级代谢产物的差异,有助于根据具体要求确定最佳干燥方法。

更新日期:2022-06-16
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