Department of Chemistry, Sungkyunkwan University, Suwon 16419, Republic of Korea.
ACS Sens. 2022 Feb 25;7(2):423-429. doi: 10.1021/acssensors.1c02715. Epub 2022 Feb 4.
G-, V-, and A-series nerve agents are extremely toxic organophosphorus chemical warfare agents (CWAs) that incorporate P═O functional groups. Their colorless, tasteless, and odorless nature makes rapid and efficient detection challenging. Here, we report an unprecedented N-triflyl phosphoric triamide () receptor, which is a new class of triple hydrogen bonding donor molecular sensors for CWA recognition via noncovalent host-guest-type interactions. The highly robust trifurcate structures were designed based on density functional theory (DFT) computations and synthesized from -triflyl phosphorimidoyl trichloride by simple stepwise processes. Quartz crystal microbalance (QCM) analysis allowed robust detection of typical CWA simulants, such as dimethyl methylphosphonate. The concentration-dependent QCM profiles were fitted with the Sips isotherm model, revealing that the thermodynamic parameters of the binding behaviors are roughly correlated with the calculated results. Developed receptors show higher binding abilities than previously reported receptors and reasonable selectivity over other volatile compounds.
G-、V- 和 A 系列神经毒剂是极为有毒的有机磷化学战剂（CWA），它们含有 P═O 官能团。这些毒剂无色、无味、无臭，这使得它们的快速和有效检测具有挑战性。在这里，我们报告了一种前所未有的 N-三氟甲磺酸三酰胺（）受体，它是一类新型的三氢键供体分子传感器，可通过非共价主体-客体型相互作用识别 CWA。基于密度泛函理论（DFT）计算，设计了高度稳定的三叉结构，并通过简单的逐步过程从三氟甲磺酸磷酰亚胺三氯硅烷合成而来。石英晶体微天平（QCM）分析允许对典型的 CWA 模拟物（如二甲甲基膦酸酯）进行稳健检测。浓度依赖性 QCM 图谱符合 Sips 等温线模型拟合，表明结合行为的热力学参数与计算结果大致相关。开发的受体显示出比以前报道的受体更高的结合能力，并且对其他挥发性化合物具有合理的选择性。
