Molecularly imprinted polymers thermodynamic considerations

Nicholls, I.A., Thermodynamic considerations for the design of and ligand recognition by molecularly imprinted polymers, Chem. Lett. 1995, 24, 1035-1036... [Pg.169]

We believe that in the near future, the use of computational methods in conjunction with spectroscopic techniques and thermodynamic considerations should allow the in silico simulation to be used broadly for the analysis of the influence of polymerization conditions (solvent, cross-linker, temperature) on the performance of imprinted polymers, for optimization of the monomer composition and for tailoring polymer performance for specific applications. The computational approach described here represents a first step towards the truly rational design (tailoring) of MlPs and prediction of polymer properties. Nonetheless, improvements in our capacity to predict polymer performance should be benefited through the combination of molecular modeling, further physical characterization of the imprinting process, and combinatorial strategies (Chapter 8). [Pg.389]