Molecular Recognition in Imprinted Polymers
Author Information
Author(s): Dourado Eduardo M. A., Herdes Carmelo, van Tassel Paul R., Sarkisov Lev
Primary Institution: Institute for Materials and Processes, School of Engineering, University of Edinburgh
Hypothesis
Can atomistic models of molecularly imprinted polymers exhibit molecular recognition?
Conclusion
The study found that polymers imprinted with pyrazine showed significant selectivity for pyrazine over pyrimidine, while those imprinted with pyrimidine did not exhibit such selectivity.
Supporting Evidence
- Polymers imprinted with pyrazine showed substantial selectivity towards pyrazine over pyrimidine.
- The presence of specific binding sites in the pyrazine imprinted system was linked to complexation processes in the pre-polymerization solution.
- Adsorption simulations indicated that the template molecule exhibited significantly stronger adsorption compared to its analogue.
Takeaway
This study shows that special materials can be made to recognize certain molecules better than others, like how a key fits into a lock.
Methodology
The study used molecular dynamics simulations to model the pre-polymerization mixture and adsorption processes in molecularly imprinted polymers.
Limitations
The model does not explicitly consider polymerization processes and assumes no solvent is present, which may oversimplify the real interactions.
Digital Object Identifier (DOI)
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