A Quantitative Structure-Activity Relationship Model for Radical Scavenging Activity of Flavonoids

2008 ◽  
Vol 11 (1) ◽  
pp. 29-37 ◽  
Author(s):  
A. Om ◽  
J.H. Kim
Keyword(s):  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Scavenging Activity ◽  
Quantitative Structure ◽  
Structure Activity ◽  
Relationship Model

Quantitative Structure-Activity Relationship of Morita-Baylis-Hillman Adducts with Leishmanicidal Activity

2011 ◽  
Vol 66 (3-4) ◽  
pp. 136-142
Author(s):  
Rodrigo Octavio M. A. de Souza ◽  
José C. Barros ◽  
Joaquim F. M. da Silva ◽  
Octavio A. C. Antunes
Keyword(s):  
Molecular Orbital ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Orbital Energy ◽  
Quantitative Structure ◽  
Leishmanicidal Activity ◽  
Structure Activity ◽  
Relationship Model ◽  
Relationship Of

A quantitative structure-activity relationship model for Morita-Baylis-Hillman adducts with leishmanicidal activities was developed which correlates molecular orbital energy and dipole with percentage in the promastigote stage

scholarly journals Antioxidant Activity of 1’-Hydroxyethylnaphthazarins and their Derivatives

2017 ◽  
Vol 12 (12) ◽  
pp. 1934578X1701201
Author(s):  
Natalia K. Utkina ◽  
Natalia D. Pokhilo
Keyword(s):  
Antioxidant Activity ◽  
Radical Cation ◽  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Hydroxyl Group ◽  
Side Chains ◽  
Scavenging Activity ◽  
Structure Activity

The ABTS•+ radical cation scavenging activity of known (2-5, 9, 10) and new (6-8) 1’-hydroxyethylnaphthazarins and their products of esterification and etherification was evaluated and a structure-activity relationship was studied. It was shown, that the structure of side chains does not affect the radical scavenging activity of 1’-hydroxyethylnaphthazarins and their derivatives. The presence of methoxyl groups on the naphthazarin core slightly enhanced the antioxidant activity of compounds compared with compounds without methoxyl groups. The presence of the additional hydroxyl group on the naphthazarin moiety of isonorlomazarin (5) and its derivative (6) is essential for the activity.

scholarly journals Efficiency and Quantitative Structure-Activity Relationship of Monoaromatics Oxidation by Quinone-Activated Persulfate

2021 ◽  
Vol 9 ◽  
Author(s):  
Jiaqi Shi ◽  
Tao Long ◽  
Yuxuan Zhou ◽  
Lei Wang ◽  
Cuiping Jiang ◽  
...  
Keyword(s):  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Persulfate Oxidation ◽  
Alkaline Environment ◽  
Structure Activity ◽  
Degradation Rates ◽  
Relationship Model ◽  
Net Charges

Quinones and quinone-containing organics have potential of activating persulfate to produce sulfate radical. In this work, the optimal condition for quinone activation of persulfate was investigated. It was found representative monoaromatics were degraded fastest in alkaline environment (pH 10.0), but excessive alkalinity restrained the reaction instead. The mechanisms to explain this phenomenon were speculated. The effect of initial quinone concentration on persulfate oxidation was also investigated at pH 10.0. In addition, a quantitative structure-activity relationship model was established with 15 kinds of monoaromatics, which revealed the most negative atomic net charges on carbon atom played an important role on degradation rates. Chemicals with a smaller qC- were easier oxidized in quinone-activate system. This finding helps further exploration of effective activator in alkaline environment.

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