MIPs logo MIPdatabase      Use this space
Custom Search
Reference type: Journal
Authors: Pace SJ, Nguyen E, Baria MP, Mojica ERE
Article Title: Use of computational modeling in preparation and evaluation of surface imprinted xerogels for binding tetracycline.
Publication date: 2015
Journal: Microchimica Acta
Volume: 182
Issue: (1-2)
Page numbers: 69-76.
DOI: 10.1007/s00604-014-1305-7

Abstract: Linear alkyl alkoxysilanes (methoxy and ethoxy-based) of varying length were used in preparing tetracycline surface imprinted silica xerogels by the sol-gel process. The resulting xerogels were characterized in terms of binding tetracycline (TC) by using tritium-labeled TC. Results showed preferential binding in the ethoxysilane based xerogels in comparison to methoxysilane based xerogels. A computational approach using the interaction energy (IE) between TC and each alkyl alkoxysilane was deduced as a rational way of predicting the formulation that would provide the best analytical performance for a given molecularly imprinted xerogel (MIX). Hartree-Fock calculations revealed an increase in IE as the length of the carbon chain increases until an optimum value at C6 in both alkoxysilanes. This is consistent with the experimental results wherein the C6 xerogel formulation has the highest imprinting factor. These results show the potential of using computational modeling as a rational way of preparing surface imprinted materials
Template and target information: tetracycline
Author keywords: Tetracycline, surface imprinting, Xerogel, computational modeling, Hartree-Fock calculations

  Mister Benzene Stay Positive shirt  Chemistry peptide mug  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