Rational design of molecularly imprinted polymers

Online SI: Rational Design of Molecularly Imprinted Polymers

We consider a volume V containing a solution of various types of ligands. The number of ligands of type α is denoted by Mα. Before cross-linking, the ligands are free to move. To this solution we add N template particles. Each template particle has various binding sites (receptors) on its surface. In what follows, we will designate ligand types with greek letters j = {α, β, · · · }, and the com...

Computational Design of Molecularly Imprinted Polymers

Artificial receptors have been in use for several decades as sensor elements, in affinity separation, and as models for investigation of molecular recognition . Although there have been numerous publications on the use of molecular modeling in characterization of their affinity and selectivity, very few attempts have been made on the application of molecular modeling in computational design of ...

Molecularly Imprinted Polymers: Towards a Rational Understanding of Biomimetic Materials

Design of molecularly imprinted polymers for diphenylamine sensing.

A series of the polymers imprinted with diphenylamine (DPA) and respective non imprinted polymers were synthesized using precipitation polymerization. Synthesized polymers were characterized by Fourier Transform Infra-Red spectroscopy with Total Attenuated Reflectance (FTIR-ATR), Scanning Electron Microscopy (SEM) and equilibrium batch re-binding experiments. Influence of the synthesis conditio...

The Application of Molecularly Imprinted Polymers

Molecularly imprinted technology (MIT) has the characteristics of specificity and high selectivity, which is one of the most promising methodologies. Besides, the polymers are made using MIT as the functional material of solid-phase extraction and chromatographic fractionating and sensor, because of the characteristics of the high selectivity, the better stability and easy preparation. This rev...