The Computational Design of Drug Sensors and Adsorbents for Environmental Applications

Molecularly Imprinted Polymers (MIPs) are synthetic receptors that are prepared via imprinting technology and can be tailored towards a specific analyte. The advantages of these "plastic” antibodies over their natural counterparts include low-cost, straightforward preparation and superior thermal and chemical stability. This method is versatile and can be used for detection and extraction of biomolecules ranging from ions to larger macrostructures such as bacteria.

In the imprinting process, a complex between the template and suitable functional monomers is created and subsequently polymerized with cross-linker monomers to form a dense network. The key to obtaining high-affinity binding sites is the understanding of the nature of the “pre-polymerization” complex. Computational modelling can elucidate the role of solvent and monomer-template interactions that will feed into the design of the MIP composition.

In this project, we will study MIP developments for the detection and removal of various drugs. Recent reports on environmental analysis suggested substantial contamination of water with medications, from painkillers to antidepressants, which have a negative impact on aquatic life. Therefore, it is of significant interest to develop sensors and adsorbents for monitoring and capturing harmful drugs concentrations on-site.

Prospective candidates are encouraged to contact Dr Carmelo Herdes ([Email Address Removed]) directly for further details. Please send a CV and a cover letter to Dr Herdes. Candidates will be shortlisted for the full online application.