دورية أكاديمية
The prediction of hydrolysis and biodegradation of organophosphorus-based chemical warfare agents (G-series and V-series) using toxicology in silico methods.
| العنوان: | The prediction of hydrolysis and biodegradation of organophosphorus-based chemical warfare agents (G-series and V-series) using toxicology in silico methods. |
|---|---|
| المؤلفون: | Noga M; Department of Regulatory and Forensic Toxicology, Institute of Medical Expertises in Łódź, ul. Aleksandrowska 67/93, 91-205 Łódź, Poland., Michalska A; Institute of Medical Expertises in Łódź, ul. Aleksandrowska 67/93, 91-205 Łódź, Poland., Jurowski K; Department of Regulatory and Forensic Toxicology, Institute of Medical Expertises in Łódź, ul. Aleksandrowska 67/93, 91-205 Łódź, Poland; Laboratory of Innovative Toxicological Research and Analyzes, Institute of Medical Studies, Medical College, Rzeszów University, Al. mjr. W. Kopisto 2a, 35-959 Rzeszów, Poland. Electronic address: toksykologia@ur.edu.pl. |
| المصدر: | Ecotoxicology and environmental safety [Ecotoxicol Environ Saf] 2024 Mar 01; Vol. 272, pp. 116018. Date of Electronic Publication: 2024 Feb 06. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Elsevier Country of Publication: Netherlands NLM ID: 7805381 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1090-2414 (Electronic) Linking ISSN: 01476513 NLM ISO Abbreviation: Ecotoxicol Environ Saf Subsets: MEDLINE |
| أسماء مطبوعة: | Original Publication: Amsterdam, Netherlands : Elsevier |
| مواضيع طبية MeSH: | Chemical Warfare Agents*/analysis , Chemical Warfare Agents*/chemistry , Chemical Warfare Agents*/toxicity , Nerve Agents*/toxicity, Animals ; Hydrolysis ; Tokyo |
| مستخلص: | Nerve agents (G- and V-series) are a group of extremely toxic organophosphorus chemical warfare agents that we have had the opportunity to encounter many times on a massive scale (Matsumoto City, Tokyo subway and Gulf War). The threat of using nerve agents in terrorist attacks or military operations is still present, even with establishing the Chemical Weapons Convention as the legal framework. Understanding their environmental sustainability and health risks is critical to social security. Due to the risk of contact with dangerous nerve agents and animal welfare considerations, in silico methods were used to assess hydrolysis and biodegradation safely. The environmental fate of the examined nerve agents was elucidated using QSAR models. The results indicate that the investigated compounds released into the environment hydrolyse at a different rate, from extremely fast (<1 day) to very slow (over a year); V-agents undergo slower hydrolysis compared to G-agents. V-agents turned out to be relatively challenging to biodegrade, the ultimate biodegradation time frame of which was predicted as weeks to months, while for G-agents, the overwhelming majority was classified as weeks. In silico methods for predicting various parameters are critical to preparing for the forthcoming application of nerve agents. Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. (Copyright © 2024 The Authors. Published by Elsevier Inc. All rights reserved.) |
| فهرسة مساهمة: | Keywords: Biodegradation; Chemical warfare agents; Computational toxicology; Hydrolysis |
| المشرفين على المادة: | 0 (Chemical Warfare Agents) 0 (Nerve Agents) |
| تواريخ الأحداث: | Date Created: 20240207 Date Completed: 20240226 Latest Revision: 20240226 |
| رمز التحديث: | 20240226 |
| DOI: | 10.1016/j.ecoenv.2024.116018 |
| PMID: | 38325275 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 1090-2414 |
|---|---|
| DOI: | 10.1016/j.ecoenv.2024.116018 |