High-Throughput Screening of MOFs for Breakdown of V-Series Nerve Agents

Abstract

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, <i>O</i>,<i>O</i>-diethyl <i>S</i>-phenyl phosphorothioate (DEPPT), revealing good activity for some UiO-66 derivatives. A medium-throughput hydrolysis assay for the nerve agent <i>O</i>-ethyl <i>S</i>-[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.