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

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.