Theoretical and Cyclic Voltammetric Analysis of Asparagine and Glutamine Electrocatalytic Activities for Dopamine Sensing Applications

The molecular dynamics and density functional theory (DFT) can be applied to discriminate electrocatalyst’s electron transfer (ET) properties. It will be interesting to discriminate the ET properties of green electrocatalysts such as amino acids. Here, we have used DFT to compare the electrocatalyti...

Full description

Saved in:
Bibliographic Details
Published in:Catalysts 2023-01, Vol.13 (1), p.100
Main Authors: Kudur Jayaprakash, Gururaj, Swamy, B. E. Kumara, Flores-Moreno, Roberto, Pineda-Urbina, Kayim
Format: Article
Language:English
Subjects:
Alzheimer's disease
Amino acids
analytical Fukui
Carbon
Catalysts
Chemical reactions
Density functional theory
DFT
Dopamine
Electrocatalysts
Electrodes
Electron transfer
Glutamine
Graphite
Illnesses
Molecular dynamics
Neurosciences
redox
Software
Voltammetry
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The molecular dynamics and density functional theory (DFT) can be applied to discriminate electrocatalyst’s electron transfer (ET) properties. It will be interesting to discriminate the ET properties of green electrocatalysts such as amino acids. Here, we have used DFT to compare the electrocatalytic abilities of asparagine and glutamine at the carbon paste electrode interface. Cyclic voltammetric results reveal that the electrocatalytic activities of aspargine are higher than glutamine for dopamine sensing. Dopamine requires less energy to bind with asparagine when compared to glutamine. Additionally, asparagine has higher electron-donating and accepting powers. Therefore, asparagine has a higher electrocatalytic activity than glutamine—the ability for the asparagine and glutamine carbon electrodes to detect dopamine in commercial injection, and to obtain satisfactory results. As a part of the work, we have also studied dopamine interaction with the modified carbon surface using molecular dynamics.
ISSN:2073-4344
2073-4344
DOI:10.3390/catal13010100