MIPs logo MIPdatabase      MIP2020 Conference logo Use this space
Custom Search
Reference type: Journal
Authors: Karthikeyan M, Rajkumar R, Kumar MD, Balamurugan M, Muthukumar K, Karunakaran C
Article Title: Theoretical Screening and Selection of Functional Monomers for Molecular Imprinted Electropolymer as Sensor for Glutamate.
Publication date: 2018
Journal: Sensor Letters
Volume: 16
Issue: (8)
Page numbers: 590-597.
DOI: 10.1166/sl.2018.3999
Alternative URL: https://www.ingentaconnect.com/content/asp/senlet/2018/00000016/00000008/art00004

Abstract: Neurotransmitter glutamate excess release caused overstimulation of brain called excitotoxicity resulting in cell death, ischemic stroke and certain neurodegenerative diseases viz., epilepsy, amyotrophic lateral sclerosis, Alzheimer's, and Parkinson's disease. Using molecular imprinted polymer as synthetic receptor, we can develop functional MIP with predetermined selectivity for various templates especially for neurotransmitters. It relies largely on the molecular recognition through the functional monomer and template interactions. So, a theoretical model for suitable selection of functional monomer for synthesizing molecular imprinting electropolymers (MIPs), with specific recognition for detection of glutamate, a key neurotransmitter involved in neuronal diseases is attempted. Here, the density functional (DFT) method with the hybrid B3LYP exchange-correlation functional has been applied to investigate the intermolecular interactions between glutamate and several functional monomers viz., pyrrole, 3,4-ethylenedioxythiophene (EDOT), o-phenylenediamine (o-PD), thiophene, aniline and 3-aminophenyl boronic acid (3-APBA) most commonly used in the preparation of conducting MIPs. The most stable configurations of the glutamate, functional monomers and complexes formed were considered for analysis. The geometrical, vibrational and NMR chemical shift parameters involving hydrogen bonding sites of the most stable interacting systems have been analysed. Our results illustrate that, among the different glutamate/monomer molecular systems considered, the binding energies between glutamate and functional monomers are in the order, 3-APBA > pyrrole > aniline > o-PD > thiophene > EDOT. The stronger binding interactions of 3-APBA suggests it as an efficient monomer for selective functional MIP based sensors for glutamate
Template and target information: glutamate
Author keywords: Molecular imprinted electropolymer, Density functional theory, neurotransmitter, H-bonding interaction, binding energy


  SMI cryptic logo shirt, new improved design  SMI logo mug  Man of proper-tea mug

Molecules Special Issue call      Appeal for information






 

Join the Society for Molecular Imprinting
Logo of the Society for Molecular Imprinting

New items RSS feed
new items RSS feed  View latest updates

Sign-up for e-mail updates:
Choose between receiving an occasional newsletter or more frequent e-mail alerts.
Click here to go to the sign-up page.


Is your name elemental or peptidic? Enter your name and find out by clicking either of the buttons below!
Other products you may like:
view listings for MIP books on eBay:



Mickey Mouse 90th Anniversary banner