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Amidoxime-functionalized bead cellulose for the decomposition of highly toxic organophosphates
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SYSNO ASEP 0542963 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Amidoxime-functionalized bead cellulose for the decomposition of highly toxic organophosphates Author(s) Janoš, P. (CZ)
Tokar, O. (CZ)
Došek, M. (CZ)
Mazanec, K. (CZ)
Ryšánek, P. (CZ)
Kormunda, M. (CZ)
Henych, Jiří (UACH-T) SAI, RID, ORCID
Janoš, P. jr. (CZ)Number of authors 8 Source Title RSC Advances. - : Royal Society of Chemistry
Roč. 11, č. 29 (2021), s. 17976-17984Number of pages 9 s. Language eng - English Country GB - United Kingdom Keywords Chemical warfare ; Degradation ; Pesticides ; Quantum theory Subject RIV CA - Inorganic Chemistry OECD category Inorganic and nuclear chemistry R&D Projects GA19-07460S GA ČR - Czech Science Foundation (CSF) LM2015073 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Method of publishing Open access Institutional support UACH-T - RVO:61388980 UT WOS 000652328700049 EID SCOPUS 85106415280 DOI 10.1039/d1ra01125a Annotation Regenerated bead cellulose is a promising material with excellent mechanical and rheological properties, ideally suited for advanced environmental applications. By introducing the amidoxime functional group into the glucose unit at the C-6 position, highly effective reactive sorbent was prepared and used to destroy priority hazardous substances such as organophosphate pesticides or nerve-paralytic chemical warfare agents (CWAs). Quantum mechanical (QM) calculations were performed to study the interactions of organophosphates with amidoxime functional groups at the molecular level. It was found that the energetic reaction barrier of the rate-limiting step is markedly reduced (from 31.40 to 11.37 kcal mol-1) in the case of the amidoxime-catalysed degradation of parathion methyl, which resulted in a dramatic increase in the degradation rate, this was fully confirmed by experiments, in which the pesticide degradation proceeded at the time scale of several hours (t1/2 = 20-30 hours at pH 7.22). Workplace Institute of Inorganic Chemistry Contact Jana Kroneislová, krone@iic.cas.cz, Tel.: 311 236 931 Year of Publishing 2022 Electronic address http://hdl.handle.net/11104/0320280
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