Journal: Drug Invention Today

Article Id: JPRS-Pcol-00004622
Title: Graphene nanoflakes as a nanobiosensor for amino acid profiles of fish products: Density functional theory investigations
Category: Pharmacology
Section: Research Article
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    Background: Using density functional theory (DFT) investigations, we investigate graphene nanoflakes (GNFs) as a new nanobiosensor for amino acids detection in fish products. The adsorption features of three classes (lysine, methionine, and threonine) of amino acids close to GNFs-surface are considered and investigated by using Gaussian software. The geometric properties, energetic properties, global reactivity descriptors, and electrostatic potential counter map have been considered to see the order of the adsorption strength in the systems and good understanding of nature of the interactions in amino acids/GNFs process. Methodology: The computational model of GNFs consists of 24 carbon atoms with 12 hydrogen atoms in ends. The GNF is a nanostructure with high aspect ratio, and the greater area of contact, which can enhance the chemical reactivity of biomolecules. The non-covalent interaction of amino acids with the GNFs would change the electrical conductance of GNFs-based sensors by charge transfer between GNFs and amino acid adsorbed through the local chemical reactivity and cause efficient detection of a variety of biomolecules and more development in biomedical applications. Results: The results show that GNFs with large adsorption energy and significant charge transfer through the adsorption of amino acid can exploit as a nanobiosensor. The developing field for applications of nanobiosensors was for the reason that same length order of magnitude scales of several of the fundamental building blocks of life with the nanoscale material. Conclusions: The adsorption behavior of three different types of amino acids in fish products on the GNFs has been studied using DFT investigations. The adsorption energy values, nearest atom distance, and partial charge analysis establish the energetic and physical nature of adsorption on GNFs. The total energy and adsorption energy values suggest that GNFs are potential nanobiosensor as adsorption surface for amino acids. The electronic changes have been observed through highest occupied molecular orbital, lowest unoccupied molecular orbital, and energy gap. The molecular electrostatic potential plots conclude that there is charge transfer between the GNFs and the amino acids. The reliable conclusions shown in this study will encourage the experimentalists to explore and use these nanomaterials as an amino acid carrier and to immobilize the amino acid that can lead to useful to proposal novel generation of biosensors based on GNFs.

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    Author(s) Name:

    Fouad N. Ajeel 1 *, Yasser W. Ouda2 , Sajad A. Abdullah2

    Affiliation(s) Name:

    1 Department of Physics, College of Science, University of Sumer, Rifai 64005, Iraq,

    2 Department of Biology, College of Education-Qurna, University of Basrah, Basrah, Iraq

    *Corresponding author: Fouad N. Ajeel, Department of Physics, College of Science, University of Sumer, Rifai 64005, Iraq

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    Author:

    Fouad N. Ajeel 1 *, Yasser W. Ouda2 , Sajad A. Abdullah2

    Title:Graphene nanoflakes as a nanobiosensor for amino acid profiles of fish products: Density functional theory investigations
    Journal:Drug Invention Today
    Vol(issue):12 (December )
    Year:2019
    Page No: (2881-2887)
  • Experimental Methods Keywords

    Methodology:Adsorption,Biosensor, Density functional theory, Graphene nanoflakes
    Research Materials:Amino acid

Keywords

Adsorption Amino acid Biosensor Density functional theory Graphene nanoflakes

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