化学
代谢组学
核磁共振波谱
液相色谱-质谱法
代谢途径
质谱法
甲基磺草酮
生物降解
质子核磁共振
色谱法
环境化学
有机化学
新陈代谢
杀虫剂
生物化学
生物
阿特拉津
农学
作者
Stéphanie Durand,Martine Sancelme,Pascale Besse-Hoggan,Bruno Combourieu
出处
期刊:Chemosphere
[Elsevier]
日期:2010-09-01
卷期号:81 (3): 372-380
被引量:61
标识
DOI:10.1016/j.chemosphere.2010.07.017
摘要
Enhanced knowledge of pesticide transformation products formed in the environment could lead to both accurate estimates of the overall effects of these compounds on environmental ecosystems and human health and improved removal processes. These compounds can present chemical and environmental behaviours completely different from the starting active ingredient. The difficulty lies on their identification or/and their quantification due to the lack of analytical reference standards. In this context, ex situ Nuclear Magnetic Resonance (NMR) and Liquid Chromatography-NMR (LC-NMR) were used as complementary tools to LC-Mass Spectrometry (MS) to define the metabolic pathway of mesotrione, an emergent herbicide, by the bacterial strain Bacillus sp. 3B6. The complementarities of ex situ and LC-NMR allowed us to unambiguously identify six metabolites whereas the structures of only four metabolites were suggested by LC-MS. The presence of a new metabolic pathway was evidenced by NMR. These results demonstrate that NMR and LC-NMR spectroscopy provided unambiguous structural information for xenobiotic metabolic profiling, even at moderate magnetic field and allowed direct absolute quantification despite the lack of commercial or synthetic standards, required for LC-MS techniques.
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