structure thermodynamics-antioxidant activity relationships
structure thermodynamics-antioxidant activity relationships
structure thermodynamics-antioxidant activity relationships
structure thermodynamics-antioxidant activity relationships
structure thermodynamics-antioxidant activity relationships
structure-thermodynamics-antioxidant activity relationships

Structure-Thermodynamics-Antioxidant Activity Relationships

Herein we investigate the structure-thermodynamics-antioxidant relationships of 20 natural phenolic acids and derivatives using DPPH ? scavenging assay, density functional theory calculations at the B3LYP/6-311++G (d,p) levels of theory, and quantitative structure-activity relationship (QSAR) modeling.

Get Price
structure-thermodynamics-antioxidant activity relationships

Structure-Thermodynamics-Antioxidant Activity Relationships

In this work, we investigated the structure-thermodynamics-antioxidant activity relationships of 20 natural phenolic acids and derivatives using combined experimental and computational approaches. The antioxidant activities of the compounds were evaluated for their total antioxidant capacity using the DPPH ? scavenging assay.

Get Price
structure-thermodynamics-antioxidant activity relationships

Structure-Thermodynamics-Antioxidant Activity Relationships

Structure-Thermodynamics-Antioxidant Activity Relationships of Selected Natural Phenolic Acids and Derivatives: An Experimental and Theoretical Evaluation Yuzhen Chen Huizhi Xiao Jie Zheng University of Akron Main Campus Please take a moment to share how this work helps youthrough this survey. Your feedback will be

Get Price
structure-antioxidant activity relationship of methoxy

Structure-antioxidant activity relationship of methoxy

Five thermodynamic parameters involving hydrogen atom transfer (HAT), single-electron transfer followed by proton transfer (SET-PT), and sequential proton-loss electron transfer (SPLET)...

Get Price
structure-thermodynamics-antioxidant activity relationships

Structure-thermodynamics-antioxidant activity relationships

Herein we investigate the structure-thermodynamics-antioxidant relationships of 20 natural phenolic acids and derivatives using DPPH? scavenging assay, density functional theory calculations at the B3LYP/6-311++G (d,p) levels of theory, and quantitative structure-activity relationship (QSAR) modeling.

Get Price
thermodynamics-antioxidant activity relationships of some 4

Thermodynamics-antioxidant activity relationships of some 4

More recently, Yuzhen et al. succeeded, through an experimental and theoretical evaluation, to establish a relationship between three factors of selective PhAs and its derivatives: structure-thermodynamic-antioxidant activity.

Get Price
structure-thermodynamics-antioxidant activity relationships

Structure-Thermodynamics-Antioxidant Activity Relationships

Herein we investigate the structure-thermodynamics-antioxidant relationships of 20 natural phenolic acids and derivatives using DPPH? scavenging assay, density functional theory calculations...

Get Price
structure-antioxidant activity relationships, qsar, dft

Structure-antioxidant activity relationships, QSAR, DFT

DFT calculations were performed on nine flavones and flavonols to explain their high antioxidant activity and variations in their activity. Conformational analysis showed that only flavonols with 3-OH directed toward the B-ring are nonplanar; however, flavones and resulted radicals are planar. Hydroxyl group eligible for dissociation is the one with ortho OH directed toward it; otherwise, one

Get Price
structure-antioxidant activity relationships, qsar, dft

Structure-antioxidant activity relationships, QSAR, DFT

Corpus ID: 203853074 Structure-antioxidant activity relationships, QSAR, DFT calculation, and mechanisms of flavones and flavonols H. Ali, Isra H. Ali Published in Medicinal Chemistry Research 7 October 2019 Chemistry

Get Price
structure-antioxidant activity relationship of methoxy

Structure-antioxidant activity relationship of methoxy

Three key antioxidant mechanisms involved in the process of quenching free radicals are hydrogen atom transfer (HAT), single-electron transfer followed by proton transfer (SET-PT), and sequential proton-loss electron transfer (SPLET).

Get Price