Work

Hydrolysis mechanisms for A-series (Novichok) nerve agents at different pH V and computational simulant screening

Year: 2026

Type: article

Abstract: -(1-(diethylamino)ethylidene)-P-methylphosphonamidate as optimal hydrolysis simulants. The experimental hydrolysis results for ADPP strongly agreed with the theoretical predictions, confirming the reliability of the methodology. Overall, this study established a predictive framework to determine the dominant hydrolysis pathways and half-lives of amidinofluorophosphonates, enabling the estimation of hydrolysis properties for potential A-series agents based solely on their molecular formulas.

Source: RSC Advances

DOI: 10.1039/d5ra09488g

Authors: Junjun Jia, Wenjie Duan, Qingyuan Li, Xinxin Xu, Zhenbang Tian, Zhongliang Zhang

Institutions: Zhengzhou University, Henan Academy of Sciences

Language: English

Topic: Chemical Reaction Mechanisms

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,042

Funder: Henan Provincial Science and Technology Research Project