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Theoretical Investigation of Antioxidant Activity of Hydroxy-Quinoline Derivatives and their Delivery Via Boron Nitride Nanocage in Gas Phase and Solvent


Affiliations
1 Medical Biology Research Center, Kermanshah University of Medical Sciences, Kermanshah 67149-67346, Iran, Islamic Republic of
 

The antioxidant activity of hydroxy-quinoline derivatives was studied in gas phase and solvent. Results indicate that substituents in hydroxy-quinoline decrease the bond dissociation enthalpy and ionization potential values and thus increase the antioxidant activity of hydroxy-quinoline. Results also show that NHMe hydroxy-quinoline has the highest antioxidant activity. The ability and potential of boron nitride (B36N36) nanocage in the delivery of hydroxy-quinoline derivatives via DFT method was studied. Results show that adsorption of hydroxy-quinoline derivatives on the surface of B36N36 nanocage was exothermic. There were linear dependencies between antioxidant parameters and adsorption energy (Ead) values of hydroxy-quinoline derivatives. We thus propose to synthesize novel hydroxy-quinoline derivatives with higher anti-oxidant activity.

Keywords

BN Nanocage, DFT and Solvent, Drug Delivery, Hydroxy-Quinoline.
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  • Theoretical Investigation of Antioxidant Activity of Hydroxy-Quinoline Derivatives and their Delivery Via Boron Nitride Nanocage in Gas Phase and Solvent

Abstract Views: 271  |  PDF Views: 67

Authors

Meysam Najafi
Medical Biology Research Center, Kermanshah University of Medical Sciences, Kermanshah 67149-67346, Iran, Islamic Republic of

Abstract


The antioxidant activity of hydroxy-quinoline derivatives was studied in gas phase and solvent. Results indicate that substituents in hydroxy-quinoline decrease the bond dissociation enthalpy and ionization potential values and thus increase the antioxidant activity of hydroxy-quinoline. Results also show that NHMe hydroxy-quinoline has the highest antioxidant activity. The ability and potential of boron nitride (B36N36) nanocage in the delivery of hydroxy-quinoline derivatives via DFT method was studied. Results show that adsorption of hydroxy-quinoline derivatives on the surface of B36N36 nanocage was exothermic. There were linear dependencies between antioxidant parameters and adsorption energy (Ead) values of hydroxy-quinoline derivatives. We thus propose to synthesize novel hydroxy-quinoline derivatives with higher anti-oxidant activity.

Keywords


BN Nanocage, DFT and Solvent, Drug Delivery, Hydroxy-Quinoline.

References





DOI: https://doi.org/10.18520/cs%2Fv113%2Fi09%2F1746-1749