Amidoxime-functionalized bead cellulose for the decomposition of highly toxic organophosphates

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F21%3A00542963" target="_blank" >RIV/61388980:_____/21:00542963 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/44555601:13440/21:43896324 RIV/44555601:13520/21:43896324 RIV/29372259:_____/21:N0000014

Výsledek na webu

<a href="http://hdl.handle.net/11104/0320280" target="_blank" >http://hdl.handle.net/11104/0320280</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d1ra01125a" target="_blank" >10.1039/d1ra01125a</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Amidoxime-functionalized bead cellulose for the decomposition of highly toxic organophosphates

Popis výsledku v původním jazyce

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).

Název v anglickém jazyce

Amidoxime-functionalized bead cellulose for the decomposition of highly toxic organophosphates

Popis výsledku anglicky

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).

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

RSC Advances

ISSN

2046-2069

e-ISSN

2046-2069

Svazek periodika

11

Číslo periodika v rámci svazku

29

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

9

Strana od-do

17976-17984

Kód UT WoS článku

000652328700049

EID výsledku v databázi Scopus

2-s2.0-85106415280