乙基塔崩暴露识别及化学归因技术研究  

Study on Exposure Identification and Chemical Attribution of Ethyl Tabun

作　　者：卢晓刚 高润利 王红梅 肖军华 LU Xiaogang;GAO Runli;WANG Hongmei;XIAO Junhua(State Key Laboratory of NBC Protection for Civilian,Beijing 102205)

机构地区：[1]国民核生化灾害防护国家重点实验室,北京102205

出　　处：《防化研究》2022年第2期30-39,共10页CBRN DEFENSE

摘　　要：塔崩类化合物是具有速效致死性的有机磷酸酯类化合物,可严重干扰哺乳类动物神经系统的正常功能,而对这些毒性物质的追踪溯源和识别归因是当前分析鉴别和毒物确证领域面临的主要难题。该文以乙基塔崩为研究对象,将有机合成方法、有机分析方法、化学计量等手段有机结合在一起。通过全二维气相色谱-飞行时间质谱仪对乙基塔崩样品进行的全方位分析鉴定以及特征数据的筛选甄别,解析样品中包含合成路线信息的特征分子结构,利用偏最小二乘法判别分析构建了乙基塔崩的路线分类预测模型,识别率为100%。建立了杂质与乙基塔崩的有效关联,实现了此类化合物制备方法及合成路线的化学归因。Tabun compounds are a class of organophosphate compounds with quick-acting lethality,which can seriously interfere with the normal function of mammalian nervous system.Tracing and attribution of these toxic substances is an important problem in the field of analysis and identification of toxic substances.In this paper,organic synthetic methods,organic analysis methods and chemometric methods were organically combined to study ethyl tabun agents.Through the comprehensive analysis and identification of the samples by comprehensive twodimensional gas chromatography-time-of-flight mass spectrometry(GC×GC-TOFMS)and the screening of characteristic data,the characteristic molecular structure of the sample containing the synthetic route information was further analyzed.The partial least squares discriminant analysis(PLS-DA)was used to construct the route classification prediction model of ethyl tabun,and the identification rate was 100%.The effective correlation between impurities and ethyl tabun was established,and the traceability and attribution of the synthetic route of such compounds was realized.

关 键 词：乙基塔崩 化学归因 毒物确证 溯源分析 

分 类 号：O656[理学—分析化学]