Structure and behaviour of magnetic enzymes

This project will investigate how magnetic fields influence the behaviour of complex magnetic molecules using experimental and modelling techniques.

Molecular magnets are complex molecular systems that can exhibit ferromagnetic behaviour. The huge variety of magnetic molecular systems that have been synthesised, and the complexity of their interactions, means that they can exhibit a range of exotic and tuneable magnetic behaviours that are relevant to a range of technologies. In addition, many magnetic molecules play important biological functions. Molecules that have active sites containing two or more coupled magnetic ions can be made to change their symmetry in response to magnetic fields, due to spin-crossover and charge transfer effects. A key example of this behaviour is the magnetic enzyme Urease, which metabolises urea into ammonia, and is a leading cause of stomach ulcers and stomach cancer. While it is well known that the magnetic state of the active site of Urease is important in this reaction, the mechanism for this is not understood. It is also not clear whether magnetic fields might be able to influence the activity of Urease, and other bioactive magnetic molecules. This project will use a combination of Density Functional Theory and advanced magnetometry to investigate the structure of magnetic molecules, including Urease, in strong magnetic fields and investigate how this alters their activity. The successful student will be trained in the use of cutting edge modelling techniques to uncover the mechanism by which magnetic fields can influence the structure of magnetic molecules, pairing this with experiments in the multi-disciplinary Bragg centre which will uncover new routes toward magnetic therapies that take advantage of these effects.