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Abstract
A new rational approach for the preparation of Molecularly Imprinted Polymers (MIPs) based in combined data from computational chemistry models calculations and 1H‐NMR experimental data is described. The new method has been checked using the case of MIPs for testosterone. The experimental NMR binding data between potential monomers and the testosterone and the computational models yield information to rationalize the composition of the polymerization mixture (monomer nature, ratio to template, amount of cross‐linker and porogen). The designed polymer was prepared and evaluated and the results confirm that the obtained material act as one could be expected for a MIP.
This work has been supported by the EC Program (Contract QLRT‐2000‐01670 RADAR Project) and by Spain CYCIT Program (ARGOS Project AGL2002‐04635); the Spanish Ministry of Education (Contract Number. NAN2004‐09415‐C05‐02) and by the CSIC‐PIF (BIPTOMAG). The AMR group is a consolidated Grup de Recerca de la Generalitat de Catalunya and has support from the Departament d'Universitats, Recerca i Societat de la Informació la Generalitat de Catalunya (expedient 2005SGR 00207).