ArticleRSC advances2026
Hydrolysis mechanisms for A-series (Novichok) nerve agents at different pH V and computational simulant screening.
Article in RSC advances, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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6 authors.
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Abstract
A-series nerve agents (Novichok agents) are ultratoxic organophosphorus agents that were listed in Schedule 1 of the Chemical Weapons Convention in 2019. Their extreme acute toxicity precludes direct experimental manipulation, and theoretical investigations into their aqueous degradation mechanisms and safe simulant development are scarce. This study investigated the dominant hydrolysis pathways of three A-series nerve agents (A230, A232, and A234) under various pH conditions, along with their corresponding hydrolysis half-lives, using computational methods. The hydrolysis rates of the nerve agents exhibited a strong pH dependence, with acid- and base-catalyzed hydrolysis resulting in a characteristic bell-shaped curve of half life
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