Theoretical study on the peroxyl radicals scavenging activity of esculetin and its regeneration in aqueous solution

2014 ◽  
Vol 16 (3) ◽  
pp. 1197-1207 ◽  
Author(s):  
Manuel E. Medina ◽  
Annia Galano ◽  
Juan Raúl Alvarez-Idaboy
Keyword(s):  
Aqueous Solution ◽  
Theoretical Study ◽  
Peroxyl Radicals ◽  
Scavenging Activity

Theoretical Study on the Radical Scavenging Activity and Mechanism of Four Kinds of Gnetin Molecule

2021 ◽  
pp. 131975
Author(s):  
Yaxuan Shang ◽  
Xiangzhou Li ◽  
Zhaoshuang Li ◽  
Jun Zhou ◽  
Limin Qu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Scavenging Activity

Why is glycine a zwitterion in aqueous solution? A theoretical study of solvent stabilising factors

1996 ◽  
Vol 260 (1-2) ◽  
pp. 21-26 ◽  
Author(s):  
F.R. Tortonda ◽  
J.L. Pascual-Ahuir ◽  
E. Silla ◽  
I. Tuñón
Keyword(s):  
Aqueous Solution ◽  
Theoretical Study

scholarly journals Mechanism and theory of d-glucopyranose homogeneous acid catalysis in the aqueous solution phase

2019 ◽  
Vol 21 (32) ◽  
pp. 17993-18011 ◽  
Author(s):  
Manik Kumer Ghosh ◽  
Mícheál Séamus Howard ◽  
Karla Dussan ◽  
Stephen Dooley
Keyword(s):  
Aqueous Solution ◽  
Acid Hydrolysis ◽  
Acid Catalysis ◽  
Theoretical Study ◽  
Solution Phase ◽  
Homogeneous Acid ◽  
Hydrolysis Of

Theoretical study of the mechanism of acid hydrolysis of β-d-glucopyranose in the aqueous solution.

The fate of peroxyl radicals in aqueous solution

1997 ◽  
Vol 35 (4) ◽  
pp. 9-15 ◽  
Author(s):  
Clemens von Sonntag ◽  
Peter Dowideit ◽  
Fang Xingwang ◽  
Ralf Mertens ◽  
Pan Xianming ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Aromatic Compounds ◽  
Advanced Oxidation Processes ◽  
Room Temperature ◽  
Oxidative Degradation ◽  
High Reactivity ◽  
Peroxyl Radicals ◽  
Oh Radical ◽  
Oxidation Processes ◽  
Water And Wastewater

The reactions of peroxyl radicals occupy a central role in oxidative degradation. Under the term Advanced Oxidation Processes in drinking-water and wastewater processing, procedures are summarized that are based on the formation and high reactivity of the OH radical. These react with organic matter (DOC). With O2, the resulting carbon-centered radicals O2 give rise to the corresponding peroxyl radicals. This reaction is irreversible in most cases. An exception is hydroxycyclohexadienyl radicals which are formed from aromatic compounds, where reversibility is observed even at room temperature. Peroxyl radicals with strongly electron-donating substituents eliminate O2.−, those with an OH-group in a-position HO2.. Otherwise organic peroxyl radicals decay bimolecularly. The tetroxides formed in the first step are very short-lived intermediates and decay by various pathways, leading to molecular products (alcohols, ketones, esters and acids, depending on the precursor), or to oxyl radicals, which either fragment by scission of a neighbouring C-C bond or, when they carry an a-hydrogen, undergo a (water-assisted) 1,2-H-shift.

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