State Key Laboratory of NBC Protection for Civilian, Beijing, 102205, PR China.
State Key Laboratory of NBC Protection for Civilian, Beijing, 102205, PR China.
Talanta. 2021 Sep 1;232:122476. doi: 10.1016/j.talanta.2021.122476. Epub 2021 Apr 29.
Chemical forensics has been widely recognized as an important tool to investigate alleged use of chemical weapons and/or to identify the illicit production of chemical warfare agents. This paper describes the use of gas chromatography and mass spectrometry (GC-MS) to determine chemical attribution signatures (CAS) N,N-dimethylphosphoramidic dichloride (DMPADC), a key precursor of tabun, for tracking the production of tabun. Synthetic samples were identified and classified by using GC-MS and chemometrics. Analysis samples (n = 27) were collected from three synthetic DMPADC routes; 20 potential CAS were identified, and the structures of five CAS were assigned. Principal component analysis (PCA) was performed to summarize the distribution trend of the samples and to check for the presence of outliers. A Partial least squares discriminant analysis (PLSDA) model was established to discriminate and classify the synthetic samples. The proposed model in this paper has high predictive ability, and the test set samples can be correctly categorized.
化学取证已被广泛认为是调查涉嫌使用化学武器和/或查明非法生产化学战剂的重要工具。本文描述了使用气相色谱和质谱（GC-MS）来确定化学归因特征（CAS）N,N-二甲基磷酰胺二氯（DMPADC），塔班的关键前体，用于追踪塔班的生产。使用 GC-MS 和化学计量学对合成样品进行了识别和分类。从三种合成 DMPADC 路线中采集了分析样品（n=27）；鉴定出 20 个潜在的 CAS，并确定了五个 CAS 的结构。进行主成分分析（PCA）以总结样品的分布趋势并检查是否存在异常值。建立了偏最小二乘判别分析（PLSDA）模型来区分和分类合成样品。本文提出的模型具有很高的预测能力，测试集样品可以正确分类。
