a quantum chemical explanation of the antioxidant activity

a quantum chemical explanation of the antioxidant activity of

A quantum chemical explanation of the antioxidant activity of

The extremely good antioxidant activity of the flavonols could be explained by the formation of an intramolecular hydrogen bond. Flavonoids are a group of naturally occurring antioxidants, which over the past years have gained tremendous interest because of their possible therapeutic applicability.

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a quantum chemical explanation of the antioxidant activity af

A quantum chemical explanation of the antioxidant activity af

title = "A quantum chemical explanation of the antioxidant activity af flavonoids.", abstract = "Flavonoids are a group of naturally occurring antioxidants, which over the past years have gained tremendous interest because of their possible therapeutic applicability.

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a quantum chemical explanation of the antioxidant activity of

A quantum chemical explanation of the antioxidant activity of

A quantum chemical explanation of the antioxidant activity of flavonoids. S A van Acker Leiden/Amsterdam Center for Drug Research, Department of Pharmacochemistry, Faculty of Chemistry, Vrije Universiteit, Amsterdam, The Netherlands.

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a qsar study of radical scavenging antioxidant activity of a

A QSAR study of radical scavenging antioxidant activity of a

In a pursuit of electronic level understanding of the antioxidant activity of a series of flavonoids, quantitative structure-activity relationship (QSAR) studies have been carried out using density functional theory (DFT) based quantum chemical descriptors. The best QSAR model have been selected for …

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quantum chemical investigation on the antioxidant activity of

Quantum Chemical Investigation on the Antioxidant Activity of

Aymard Didier Fouegue Tamafo, Julius Numbonui Ghogomu, Nyiang Kennet Nkungli, Désiré Bikélé Mama, Elie Younang, " Quantum Chemical Investigation on the Antioxidant Activity of Neutral and Anionic Forms of Juglone: Metal Chelation and Its Effect on Radical Scavenging Activity ", Journal of Chemistry, vol. 2017, Article ID 3281684, 14 pages

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quantum chemical investigation on the antioxidant activity of

Quantum Chemical Investigation on the Antioxidant Activity of

Bader's Quantum Theory of Atom in Molecules (QTAIM) and the Natural Bond Analysis (NBO) were used to study the metal-ligand interactions. The usual thermodynamic descriptors of antioxidant activity (AOA) were used to evaluate the effect of the metal ions on the radical scavenging activity of neutral juglone.

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a qsar study of radical scavenging antioxidant activity of a

A QSAR study of radical scavenging antioxidant activity of a

The quantum chemical descriptor helps to explain the contradictory results regarding the antioxidant activities of flavonoids. This shows that the activity depend on “group frontier electron density” descriptor not by any individual substituents on the rings, but the effect of the substituents as a whole on the planar ring via the \( F_A^E

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