MIPs logo MIPdatabase      Use this space
Custom Search
Reference type: Journal
Authors: Cowen T, Busato M, Karim K, Piletsky SA
Article Title: In Silico Synthesis of Synthetic Receptors: A Polymerization Algorithm.
Publication date: 2016
Journal: Macromolecular Rapid Communications
Volume: 37
Issue: (24)
Page numbers: 2011-2016.
DOI: 10.1002/marc.201600515

Abstract: Molecularly imprinted polymer (MIP) synthetic receptors have proposed and applied applications in chemical extraction, sensors, assays, catalysis, targeted drug delivery, and direct inhibition of harmful chemicals and pathogens. However, they rely heavily on effective design for success. An algorithm has been written which mimics radical polymerization atomistically, accounting for chemical and spatial discrimination, hybridization, and geometric optimization. Synthetic ephedrine receptors were synthesized in silico to demonstrate the accuracy of the algorithm in reproducing polymers structures at the atomic level. Comparative analysis in the design of a synthetic ephedrine receptor demonstrates that the new method can effectively identify affinity trends and binding site selectivities where commonly used alternative methods cannot. This new method is believed to generate the most realistic models of MIPs thus produced. This suggests that the algorithm could be a powerful new tool in the design and analysis of various polymers, including MIPs, with significant implications in areas of biotechnology, biomimetics, and the materials sciences more generally
Template and target information: modelling
Author keywords: Molecular dynamics, Molecularly imprinted polymers, plastic antibodies, polymerization, radical reactions

  Shirt featuring the name Sergey spelled out in symbols of the chemical elements  Mug featuring the name Kal spelled out in the single letter amino acid code  Beach bunny periodic table shirt

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