Gonzalez Ibarra Alan Alexander, Wrobel Kazimierz, Yanez Barrientos Eunice, Corrales Escobosa Alma Rosa, Gutierrez Corona J Felix, Enciso Donis Israel, Wrobel Katarzyna
Chemistry Department, University of Guanajuato, L. de Retana 5, 36000 Guanajuato, GTO, Mexico.
Biology Department, University of Guanajuato, L. de Retana 5, 36000 Guanajuato, GTO, Mexico.
J Anal Methods Chem. 2017;2017:3568621. doi: 10.1155/2017/3568621. Epub 2017 Nov 22.
The application of capHPLC-ESI-QTOF-MS and MS/MS to study the impact of Cr(VI) on metabolites profile in 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 · 10 cps, fold change ≥ 5, and ≤ 0.01, 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.
报道了应用capHPLC-ESI-QTOF-MS和MS/MS研究六价铬（Cr(VI)）对向日葵代谢物谱的影响。将发芽种子在含有Cr(VI)（25 mgCr/L）的条件下水培生长，采用非靶向代谢组学方法分析暴露组和对照组植物的根提取物。主要目的是检测哪些代谢物组受Cr(VI)胁迫影响最大；在强度阈值5·10 cps、变化倍数≥5和P≤0.01的标准下，使用两种数据分析工具（ProfileAnalysis、Bruker和在线XCMS），得到前体离子。基于两种计算工具（SIRIUS和MS-Finder）的数据处理确定分子式；使用CSI:FingerID和MS-Finder通过数据库搜索对候选结构进行注释。尽管尚未实现最终鉴定，但已证明次生代谢在Cr(VI)胁迫下被激活。在从数据库搜索返回的针对七个分子式的42种候选化合物中，十种结构对应异香豆素衍生物，十一种是倍半萜或倍半萜内酯；还推测了三种苯并呋喃以及四种酚类化合物的糖苷或吡喃衍生物。为了进一步深入了解Cr(VI)对向日葵的影响，选择异香豆素和倍半萜作为未来研究的目标化合物。
