代谢组学在鱼肉中兽药残留非靶向筛查的新应用

New application of metabolomics in non-targeted screening of residual veterinary drugs in fish

中文关键词:  鱼肉  兽药  代谢组学  非靶向筛查  标志化合物

英文关键词:fish  veterinary drugs  metabolomics  non-targeted screening  marker compounds

中文摘要:

      目的 建立基于代谢组学分析的鱼肉中多类别兽药残留非靶向筛查的新方法。方法 在高效液相色谱-串联质谱仪全扫描模式下检测鱼肉样品, 从而获得代谢组学数据。将该数据上传至Workflow4Metabolomics平台, 经过色谱峰处理后得到包含867个变量的数据矩阵, 再通过主成分分析、聚类分析、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兽药的“标志化合物”的特征变量。结果 借助高效液相色谱-串联质谱仪(high performance liquid chromatography-tandem mass spectrometer, HPLC-MS/MS)的正离子模式, 采用代谢组学分析策略, 从102种添加兽药中筛查出其中88种(检出限为0.3~2.6 μg/kg), 筛查率达86%。结论 代谢组学分析策略能够高效地实现鱼肉中残留兽药的非靶向筛查, 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 approach for multi-class veterinary drugs in fish based on metabolomics analysis. Methods High performance liquid chromatography-tandem mass spectrometer in full scan mode was adopted for the determination of fish to obtain the metabolomics data, which were uploaded onto Workflow4Metabolomics platform. The data underwent chromatographic peak treatment to obtain a data matrix containing 867 variables. The data matrix was further analyzed by principal component analysis, cluster analysis, orthogonal partial least squares discriminant analysis, pairwise t-test and fold change of concentration to screen eligible variables. These variables were confirmed as the characteristic ones of marker compounds to represent residual veterinary drugs via comparison within a compound database. Results The 88 in 102 kinds of veterinary drugs were screened by proposed metabolomics approach under the help of high performance liquid chromatography- tandem mass spectrometer (HPLC-MS/MS) positive mode, with the limits of detection ranging from 0.3 to 2.6 μg/kg, achieving a screening rate of 86%. Conclusion Metabolomics analytical strategy can effectively realize the non-targeted screening of veterinary drugs in fish, and provides a new idea for non-targeted screening of contaminants.