Rational design of molecularly imprinted polymers
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Curk, T., Dobnikar, J., & Frenkel, D. (2015). Rational design of molecularly imprinted polymers. Soft Matter, 12 35-44. https://doi.org/10.1039/C5SM02144H
Molecular imprinting is the process whereby a polymer matrix is cross-linked in the presence of molecules with surface sites that can bind selectively to certain ligands on the polymer. The cross-linking process endows the polymer matrix with a chemical ‘memory’, such that the target molecules can subsequently be recognized by the matrix. We present a simple model that accounts for the key features of this molecular recognition. Using a combination of analytical calculations and Monte Carlo simulations, we show that the model can account for the binding of rigid particles to an imprinted polymer matrix with valence-limited interactions. We show how the binding multivalency and the polymer material properties affect the efficiency and selectivity of molecular imprinting. Our calculations allow us to formulate design criteria for optimal molecular imprinting.
This work was supported by the Fundamental Research Funds for the Central Universities of P. R. China, ERC Advanced Grant 227758 (COLSTRUCTION), ITN grant 234810 (COMPPLOIDS) and by EPSRC Programme Grant EP/I001352/1. TC acknowledges support from the Herchel Smith fund.
European Research Council (227758)
External DOI: https://doi.org/10.1039/C5SM02144H
This record's URL: https://www.repository.cam.ac.uk/handle/1810/251461
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Licence URL: http://creativecommons.org/licenses/by/4.0/