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The selective adsorption properties of dimethoate imprinting polymers were studied by computational and conformational methods at molecular level through a molecular dynamics (MD) simulation. The MD modeling was carried out for different molecular systems to investigate the recognition mechanism by predicting the interaction energy differences and indicating the active site groups. The MD simulation...
In order to develop more efficient preparation technologies for imprinted polymers (MIPs), the nature of pre-polymerization and molecular recognition in MIP was investigated by molecular dynamics modeling (MD), 1H NMR, FTIR and some indirect techniques. Phenol was used as the template for the study of mechanism through the analysis of hydrogen bonding, hydrophobic and π–π bonding interaction. The...
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