WSEAS Transactions on Environment and Development
Print ISSN: 1790-507, E-ISSN: 2224-3496
Volume 19, 2023
The Endless Possibilities of Modelling of Toxic Chemical Warfare Agents and Possible Impacts of Their Release in Water Sensitive Areas
Authors: Nikolaos Stasinopoulos, Michail Chalaris, Anastasia Tezari, Kalliopi Kravari
Abstract: Nerve agents are chemical compounds that constitute chemical weapons with many effects on human health as well as the environment. In this work, an analysis of the properties of several nerve agents and their dispersion in aquatic ecosystems is proposed, by exploring the possibilities of state-of-the-art computational methods, such as molecular dynamic simulations, quantitative structure-activity relationship models such and other simple computational models for the simulation of a water ecosystem.
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Keywords: water terrorism, nerve agents, Molecular Dynamics simulations, risk assessment, aquatic ecosystems, QSAR Models
Pages: 998-1007
DOI: 10.37394/232015.2023.19.94
WSEAS Transactions on Environment and Development, ISSN / E-ISSN: 1790-507 / 2224-3496, Volume 19, 2023, Art. #94