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  • Rational design of molecularly imprinted polymers [Elektronski vir]
    Curk, Tine ; Dobnikar, Jure ; Frenkel, Daan
    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.
    Vir: Soft matter [Elektronski vir]. - ISSN 1744-6848 (Vol. 12, 2016, str. 35-44)
    Vrsta gradiva - e-članek ; neleposlovje za odrasle
    Leto - 2016
    Jezik - angleški
    COBISS.SI-ID - 525410073