MIPs logo MIPdatabase      Use this space
Custom Search
Reference type: Journal
Authors: Zhang L, Chen L, Zhang H, Yang YZ, Liu XG
Article Title: Recognition of 5-fluorouracil by thermosensitive magnetic surface molecularly imprinted microspheres designed using a computational approach.
Publication date: 2017
Journal: Journal of Applied Polymer Science
Volume: 134
Issue: (43)
Page numbers: ArticleNo45468.
DOI: 10.1002/app.45468

Abstract: Thermosensitive magnetic surface molecularly imprinted polymer microspheres based on thermosensitive monomer n-isopropylacrylamide (NIPAM) are applied for the recognition of 5-fluorouracil (5-FU). A computational analysis is used to predict the interaction sites between 5-FU and NIPAM, the stoichiometry of the synthesis procedure, and the affinity of imprinted cavities toward 5-FU. Due to hydrogen bond interactions, a stable complex configuration of 5-FU and NIPAM shows a binding energy of -46.50 kJ/mol confirming the suitability of imprinting 5-FU into thermosensitive polymer network. After optimization, the appropriate stoichiometry of 5-FU to NIPAM is set to 1:4 during the preparation process. The simulated imprinted cavities show affinity toward 5-FU, with a binding energy of -112.24 kJ/mol. A preliminary experimental evaluation for the drug recognition of thermosensitive magnetic surface molecularly imprinted polymer microspheres is made, obtaining an adsorption capacity of 21.72 mg/g at 25 C. Pseudo-second-order kinetics well describes the adsorption process. 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45468
Template and target information: 5-fluorouracil, 5-FU
Author keywords: drug delivery systems, molecular recognition, theory and modeling


  mipdatabase.com logo special offer joke shirt  Lab Rats Periodic table mug  HE-MAN polymer chemistry 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