{"title":"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","doi":"10.37394/232015.2023.19.94","DOIUrl":null,"url":null,"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.","PeriodicalId":53713,"journal":{"name":"WSEAS Transactions on Environment and Development","volume":"79 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2023-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"WSEAS Transactions on Environment and Development","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.37394/232015.2023.19.94","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Social Sciences","Score":null,"Total":0}
引用次数: 0
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.
期刊介绍：
WSEAS Transactions on Environment and Development publishes original research papers relating to the studying of environmental sciences. We aim to bring important work to a wide international audience and therefore only publish papers of exceptional scientific value that advance our understanding of these particular areas. The research presented must transcend the limits of case studies, while both experimental and theoretical studies are accepted. It is a multi-disciplinary journal and therefore its content mirrors the diverse interests and approaches of scholars involved with sustainable development, climate change, natural hazards, renewable energy systems and related areas. We also welcome scholarly contributions from officials with government agencies, international agencies, and non-governmental organizations.
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