MIPs logo MIPdatabase      MIP2020 Conference logo Use this space
Custom Search
Reference type: Journal
Authors: Wang J, Dong X, Xue M, Dong XM, Xu ZB, Meng ZH, Luo J
Article Title: Understanding the relationships between molecule structure and imprinting effect of two acetyl-nitrogen heterocyclic compounds.
Publication date: 2016
Journal: Journal of Molecular Recognition
Volume: 29
Issue: (6)
Page numbers: 260-265.
DOI: 10.1002/jmr.2526

Abstract: The molecularly imprinted polymers (MIPs) for two structural analogs, 1,3,5-triacetyl-1,3,5-triazacyclohexane (TRAT) and 1,3,5,7-tetraacetyl-1,3,5,7-tetraazacyclooctane (TAT), have been synthesized respectively under the same conditions. The TAT-MIP showed excellent imprinting effect, whereas the TRAT-MIP did not. To understand the different imprinting effects of the MIPs prepared from these two templates, the geometric structures and energetic properties of complexes formed around TAT and TRAT were studied computationally. The results indicate that in liquid phase, for the complexes formed with TAT and its nearest neighbor molecules, the magnitude of the binding energy increases with the number of surrounding TAT, methacrylic acid, and acetonitrile (ACT), whereas for the cases of TRAT, the magnitude of the binding energy increases with the number of surrounding TRAT and trimethylolpropane trimethacrylate. The studied systems form stronger and thus more stable networks encapsulating TAT than with TRAT. ACT may also play an important role in the polymerization phase in stabilizing the shapes of the cavities that TATs reside in. We propose these as the major factors that affect the different imprinting effects of the two MIPs. Copyright - 2016 John Wiley & Sons, Ltd
Template and target information: 1,3,5-triacetyl-1,3,5-triazacyclohexane, TRAT, 1,3,5,7-tetraacetyl-1,3,5,7-tetraazacyclooctane, TAT
Author keywords: 1,3,5,7-Tetraacetyl-1,3,5,7-tetraazacyclooctane, 1,3,5-Triacetyl-1,3,5-triazacyclohexan, Molecularly imprinted polymers, Imprinting effect, DFT calculation

  Mister Benzene Get Well Soon card  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