Agency for Defense Development (ADD), P.O. Box 35-5, Yuseong-gu, Daejeon 305-600, Korea.
Molecules. 2021 Feb 18;26(4):1059. doi: 10.3390/molecules26041059.
As a first step toward studying the properties of Novichok (ethyl (1-(diethylamino)ethylidene)phosphoramidofluoridate (A234)), we investigated its degradation products and fragmentation pathways in aqueous solution at different pH levels by liquid chromatography-tandem mass spectrometry. A234 was synthesized in our laboratory and characterized by nuclear magnetic resonance spectroscopy. Three sets of aqueous samples were prepared at different pH levels. A stock solution of A234 was prepared in acetonitrile at a concentration of 1 mg/mL and stored at -20 °C until use. Aqueous samples (0.1 mg/mL) were prepared by diluting the stock solution with deionized water. The acidic aqueous sample (pH = 3.5) and basic aqueous sample (pH = 9.4) were prepared using 0.01 M acetic acid and 0.01 M potassium carbonate, respectively. The analysis of the fragmentation patterns and degradation pathways of A234 showed that the same degradation products were formed at all pH levels. However, the hydrolysis rate of A234 was fastest under acidic conditions. In all three conditions, the fragmentation pattern and the major degradation product of A234 were determined. This information will be applicable to studies regarding the decontamination of Novichok and the trace analysis of its degradation products in various environmental matrices.
作为研究 Novichok（乙基（1-（二乙氨基）亚乙基）膦酸氟化物（A234））性质的第一步，我们通过液相色谱-串联质谱法在不同 pH 值的水溶液中研究了其降解产物和断裂途径。A234 在我们的实验室中合成，并通过核磁共振波谱进行了表征。在不同的 pH 值下制备了三组水溶液。A234 的储备溶液在乙腈中以 1mg/mL 的浓度制备，并储存在-20°C 下直至使用。通过用去离子水稀释储备溶液制备 0.1mg/mL 的水溶液。使用 0.01 M 乙酸和 0.01 M 碳酸钾分别制备酸性水溶液（pH = 3.5）和碱性水溶液（pH = 9.4）。对 A234 的断裂模式和降解途径的分析表明，在所有 pH 值下都形成了相同的降解产物。然而，A234 在酸性条件下的水解速率最快。在所有三种条件下，都确定了 A234 的断裂模式和主要降解产物。这些信息将适用于有关 Novichok 去污和其在各种环境基质中降解产物痕量分析的研究。
