International NMR-Based Environmental Metabolomics Intercomparison Exercise
International NMR-Based Environmental Metabolomics Intercomparison Exercise
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DOI：
10.1021/es802198z
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发表时间：
2009-01-01
影响因子：
11.4
通讯作者：
Wu, Huifeng
中科院分区：
文献类型：
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作者：
Viant, Mark R.;Bearden, Daniel W.;Wu, Huifeng
基于NMR的代谢组学及相关代谢组学技术正式应用于环境监测和化学品风险评价必须满足几个基本要求。在这里，我们报告了一个相互比较的练习，它已经评估了（1）H NMR代谢组学的有效性，以产生可比的数据集，从环境衍生的样品。它侧重于样品收集和代谢物提取之后的实验室实践，特别是样品制备的最后阶段，NMR数据收集（500，600和800 MHz），数据处理和多变量分析。来自美国的七个实验室参加了该项目，加拿大、英国、和澳大利亚，共生成10个数据集。第1阶段包括合成代谢物混合物的分析，而第2阶段调查欧洲比目鱼（Platichthys flesus）肝脏提取物从清洁和污染的网站。总体而言，参与实验室的数据集可比性良好。主成分分析（PCA）的各个数据集产生了十个高度相似的分数图的合成混合物，与肝脏提取物的结果相当。此外，所有实验室都发现了相同的代谢生物标志物;可以区分鱼类与清洁和污染地点。合并数据集的PICA显示了多重分析的良好聚类。这些结果表明，基于NMR的代谢组学可以生成实验室之间具有足够可比性的数据，以支持其在监管环境研究中的持续评估。
Several fundamental requirements must be met so that NMR-based metabolomics and the related technique of metabonomics can be formally adopted into environmental monitoring and chemical risk assessment. Here we report an intercomparison exercise which has evaluated the effectiveness of (1)H NMR metabolomics to generate comparable data sets from environmentally derived samples. It focuses on laboratory practice that follows sample collection and metabolite extraction, specifically the final stages of sample preparation, NMR data collection (500, 600, and 800 MHz), data processing, and multivariate analysis. Seven laboratories have participated from the U.S.A., Canada, U.K., and Australia, generating a total of ten data sets. Phase 1 comprised the analysis of synthetic metabolite mixtures,while Phase 2 investigated European flounder (Platichthys flesus) liver extracts from clean and contaminated sites. Overall, the comparability of data sets from the participating laboratories was good. Principal components analyses (PCA) of the individual data sets yielded ten highly similar scores plots for the synthetic mixtures,with a comparable result for the liver extracts. Furthermore, the same metabolic biomarkers; that discriminated fish from clean and contaminated sites were discovered by all the laboratories. PICA of the combined data sets showed excellent clustering of the multiple analyses. These results demonstrate that NMR-based metabolomics can generate data that are sufficiently comparable between laboratories to support its continued evaluation for regulatory environmental studies.