首页> 外文期刊>The Journal of automatic chemistry >Changes of Metabolomic Profile in Helianthus annuus under Exposure to Chromium(VI) Studied by capHPLC-ESI-QTOF-MS and MS/MS
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Changes of Metabolomic Profile in Helianthus annuus under Exposure to Chromium(VI) Studied by capHPLC-ESI-QTOF-MS and MS/MS

机译:通过capHPLC-ESI-QTOF-MS和MS / MS研究铬(VI)暴露下向日葵的代谢组学谱变化

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The application of capHPLC-ESI-QTOF-MS and MS/MS to study the impact of Cr(VI) on metabolites profile in Helianthus annuus is reported. Germinated seeds were grown hydroponically in the presence of Cr(VI) (25?mgCr/L) and root extracts of the exposed and control plants were analyzed by untargeted metabolomic approach. The main goal was to detect which metabolite groups were mostly affected by Cr(VI) stress; two data analysis tools (ProfileAnalysis, Bruker, and online XCMS) were used under criteria of intensity threshold 5 · 104?cps, fold change ≥ 5, and , yielding precursor ions. Molecular formulas were assigned based on data processing with two computational tools (SIRIUS and MS-Finder); annotation of candidate structures was performed by database search using CSI:FingerID and MS-Finder. Even though ultimate identification has not been achieved, it was demonstrated that secondary metabolism became activated under Cr(VI) stress. Among 42 candidate compounds returned from database search for seven molecular formulas, ten structures corresponded to isocoumarin derivatives and eleven were sesquiterpenes or sesquiterpene lactones; three benzofurans and four glycoside or pyrane derivatives of phenolic compounds were also suggested. To gain further insight on the effect of Cr(VI) in sunflower, isocoumarins and sesquiterpenes were selected as the target compounds for future study.
机译:报道了使用capHPLC-ESI-QTOF-MS和MS / MS研究六价铬对向日葵中代谢物谱的影响。萌发的种子在Cr(VI)(25?mgCr / L)存在下水培生长,裸露和对照植物的根提取物采用非靶向代谢组学方法进行分析。主要目标是检测哪些代谢物组主要受Cr(VI)胁迫影响;在强度阈值为5·104?cps,倍数变化≥5和产生标准离子的条件下,使用了两个数据分析工具(ProfileAnalysis,Bruker和在线XCMS)。根据数据处理,使用两个计算工具(SIRIUS和MS-Finder)分配分子式。使用CSI:FingerID和MS-Finder通过数据库搜索对候选结构进行注释。即使尚未实现最终鉴定,也表明次级代谢在Cr(VI)胁迫下被激活。从数据库搜索返回的42种候选化合物中,找到7个分子式,其中10种结构对应于异香豆素衍生物,其中11种是倍半萜或倍半萜内酯。还提出了酚化合物的三个苯并呋喃和四个糖苷或pyr烷衍生物。为了进一步了解六价铬在向日葵中的作用,选择了香豆素和倍半萜烯作为今后研究的目标化合物。

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