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Reference type: Journal
Authors: Holdsworth CI, Bowyer MC, Lennard C, McCluskey A
Article Title: Formulation of cocaine-imprinted polymers utilizing molecular modelling and NMR analysis.
Publication date: 2005
Journal: Australian Journal of Chemistry
Volume: 58
Issue: (5)
Page numbers: 315-320.
DOI: 10.1071/CH04138

Abstract: Molecular imprinted polymers ( MIPs) have distinctive features that make them attractive as an inexpensive, reusable, and robust field-based detection system for illicit substances. Optimizing MIP performance is traditionally attained by the synthesis and evaluation of a plethora of individual formulations. A non-covalently imprinted polymer for cocaine has been prepared using a commercially available molecular modelling package ( Spartan 02) to predict energetically favourable monomer - template interactions between the target ( T) and two different functional monomers ( FM) - methacrylic acid (MAA) and 4-vinylpyridine (4VP). NMR studies undertaken to assess target - monomer behaviour in solution were in good agreement with the computational data. MIPs involving three target-to-functional monomer ratios ( 1 : 2, 1 : 6, and 1 : 14) were prepared and evaluated. Target rebinding was found to be most favourable in the 1 : 2 formulation with a target- selective binding of 0.48 ppm and an imprinting factor (I) of 2.8 obtained for 10 mg of test polymer
Template and target information: cocaine

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