High-Throughput Screening of MOFs for Breakdown of V-Series Nerve Agents.,ACS Applied Materials & Interfaces

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High-Throughput Screening of MOFs for Breakdown of V-Series Nerve Agents.
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2020-01-21 , DOI: 10.1021/acsami.9b21693
Joseph M Palomba ₁ , Steven P Harvey ₂ , Mark Kalaj ₁ , Brian R Pimentel ₁ , Jared B DeCoste ₂ , Gregory W Peterson ₂ , Seth M Cohen ₁

Affiliation

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, O,O-diethyl S-phenyl phosphorothioate (DEPPT), revealing good activity for some UiO-66 derivatives. A medium-throughput hydrolysis assay for the nerve agent O-ethyl S-[2-(diisopropylamino)ethyl]methylphosphonothioate (VX) was also performed using six MOFs selected from HTS and was validated by 31P 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.

中文翻译：

MOF的高通量筛选，用于V系列神经代理的分解。

金属有机框架（MOF）已显示出化学武器催化分解的希望。寻找用于降解神经毒剂的最佳材料要求具有筛选大量样品并阐明有效催化的关键参数的能力。在这项工作中，已开发出一种高通量筛选（HTS）方法来评估MOF作为催化剂，尤其是针对V类神经毒剂的催化剂。使用V级模拟物O，O-二乙基S-苯基硫代磷酸酯（DEPPT）已测试了100多个MOF，对某些UiO-66衍生物显示出良好的活性。还使用选自HTS的六个MOF对神经毒剂O-乙基S- [2-（二异丙基氨基）乙基]甲基硫代磷酸酯（VX）进行了中通量水解分析，并通过31P NMR进行了验证。

更新日期：2020-01-22

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