Počet záznamů: 1
Amidoxime-functionalized bead cellulose for the decomposition of highly toxic organophosphates
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SYSNO ASEP 0542963 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Amidoxime-functionalized bead cellulose for the decomposition of highly toxic organophosphates Tvůrce(i) 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)Celkový počet autorů 8 Zdroj.dok. RSC Advances. - : Royal Society of Chemistry
Roč. 11, č. 29 (2021), s. 17976-17984Poč.str. 9 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova Chemical warfare ; Degradation ; Pesticides ; Quantum theory Vědní obor RIV CA - Anorganická chemie Obor OECD Inorganic and nuclear chemistry CEP GA19-07460S GA ČR - Grantová agentura ČR LM2015073 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy Způsob publikování Open access Institucionální podpora UACH-T - RVO:61388980 UT WOS 000652328700049 EID SCOPUS 85106415280 DOI 10.1039/d1ra01125a Anotace 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). Pracoviště Ústav anorganické chemie Kontakt Jana Kroneislová, krone@iic.cas.cz, Tel.: 311 236 931 Rok sběru 2022 Elektronická adresa http://hdl.handle.net/11104/0320280
Počet záznamů: 1