Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093, United States.
CCDC Chemical and Biological Center, US Army Combat Capabilities Development Command Chemical and Biological Center, 5183 Blackhawk Road, Aberdeen Proving Ground, Maryland 21020, United States.
ACS Appl Mater Interfaces. 2020 Apr 1;12(13):14672-14677. doi: 10.1021/acsami.9b21693. Epub 2020 Jan 21.
Metal-organic frameworks (MOFs) have shown promise for the catalytic decomposition of chemical weapons. Finding the best materials for the degradation of nerve agents requires the ability to screen a high number of samples and elucidate the key parameters of effective catalysis. In this work, a high-throughput screening (HTS) method has been developed to evaluate MOFs as catalysts, specifically against the V-class of nerve agents. Over 100 MOFs have been tested using the V-class simulant, ,-diethyl -phenyl phosphorothioate (DEPPT), revealing good activity for some UiO-66 derivatives. A medium-throughput hydrolysis assay for the nerve agent -ethyl -[2-(diisopropylamino)ethyl]methylphosphonothioate (VX) was also performed using six MOFs selected from HTS and was validated by P NMR. The results demonstrated that the DEPPT-based assay is a good indicator of V-series agent reactivity and should be considered in addition to the common (4-nitrophenyl)phosphate (DMNP) assay that is used for G-series agents.
金属-有机骨架（MOFs）在化学武器的催化分解方面显示出了潜力。为了找到降解神经毒剂的最佳材料，需要能够筛选大量的样品并阐明有效催化的关键参数。在这项工作中，开发了一种高通量筛选（HTS）方法来评估 MOFs 作为催化剂，特别是针对 V 类神经毒剂。使用 V 类模拟物，二乙基对苯硫膦酸酯（DEPPT），对 100 多种 MOFs 进行了测试，发现一些 UiO-66 衍生物具有良好的活性。还使用从 HTS 中选择的六种 MOFs 对神经毒剂 S-乙基-[2-（二异丙基氨基）乙基]甲基膦酸硫酯（VX）进行了中等通量的水解测定，并通过 P NMR 进行了验证。结果表明，基于 DEPPT 的测定方法是 V 系列试剂反应性的良好指标，除了用于 G 系列试剂的常见（4-硝基苯基）磷酸盐（DMNP）测定方法外，还应考虑该方法。
