基于代谢组学分析策略的玉米中多类别农兽药共残留非靶向筛查

Non-targeted screening of multi-class pesticides and veterinary drugs in Zea mays based on metabolomics analytical strategy

中文关键词:  玉米  农兽药  代谢组学  非靶向筛查  标志化合物

英文关键词:maize  pesticides and veterinary drugs  metabolomics  non-targeted screening  marker compounds

中文摘要:

      目的 建立基于代谢组学分析策略的玉米中多类别农兽药共残留非靶向筛查的新方法。方法 在高效液相色谱-串联质谱(high performance liquid chromatography-tandem mass spectrometer, HPLC-MS/MS)全扫描模式下检测玉米样品，从而获取代谢组学数据。将该数据上传至Workflow4Metabolomics平台，经过色谱峰处理后获得包含1447个变量的数据矩阵，再通过主成分分析、正交偏最小二乘判别分析、成对t检验和浓度倍数变化分析，挑选出符合条件的变量。通过数据库比对，最终确定能够代表残留农兽药的“标志化合物”的特征变量。结果 借助HPLC-MS/MS的正离子模式，采用代谢组学分析策略，从124种添加农兽药中筛查出其中109种(检出限为0.3~1.5 μg/kg)，筛查率达88%。结论 代谢组学分析策略能够高效的实现玉米中残留农兽药的非靶向筛查，为污染物非靶向筛查提供了一种新的思路。

英文摘要:

      Objective To establish a new non-targeted screening method for multi-class pesticides and veterinary drugs (P&VDs) in maize based on metabolomics analytical strategy. Methods High performance liquid chromatography-tandem mass spectrometer (HPLC-MS/MS) in full scan mode was adopted for the determination of maize to obtain the metabolomics data, which were uploaded onto Workflow4Metabolomics platform. The data underwent chromatographic peak treatment to obtain a data matrix containing 1447 variables. The data matrix was further analyzed by principal component analysis, orthogonal partial least squares discriminant analysis, pairwise t-test and fold change of concentration to screen eligible variables. These variables were confirmed as characteristic ones of marker compounds on behalf of residual P&VDs via comparison within a compound database. Results 109 out of 124 P&VDs were screened by proposed metabolomics method under the help of HPLC-MS/MS positive mode, with the screening rate and limits of detection to be 88% and 0.3~1.5 μg/kg, respectively. Conclusion Metabolomics analytical strategy can effectively realize the non-targeted screening of P&VDs in maize, and provides a new idea for non-targeted screening of contaminants.