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Modelling photosynthetic water oxidation


   Department of Chemistry

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  Dr P O'Malley  Applications accepted all year round  Self-Funded PhD Students Only

About the Project

This project aims use molecular modelling methods and spectroscopy to understand how the protein environment of electron transfer cofactors in photosysnthesis and in particular how the water oxidising complex, facilitates electron transfer and also helps stabilise these radical species to maintain a charge separated state. The techniques used will include electronic structure calculation based on density functional theory synthetic chemistry, X-ray crystal structure determination and high resolution Electron Paramagnetic Resonance spectroscopic techniques. Using crystallographically determined coordinates for the cofactor and protein atoms the stability and spectroscopic characteristics of the charge separated state will be revealed. With such fundamental an understanding we can then proceed to intelligently design artificial systems to mimic nature’s method of solar energy capture. We have recently made significant breakthroughs in this area the details of which are contained in our 5 most recent publications listed below.

Contact for further Information
Dr Patrick O’Malley
[Email Address Removed]

Funding Notes

Applications are invited from self-funded students. For UK tuition fees are £6,000 and International are £27,000 for 2022/23 academic year.

Candidates are expected to hold (or be about to obtain) a minimum upper second class honours degree (or the overseas equivalent) in a related area / subject. Candidates with experience in computational chemistry or magnetic resonance are particularly encouraged to apply.

References

1. Taguchi, Alexander T. O’Malley* Patrick J., Wraight Colin A., and Dikanov, Sergei A, J Phys Chem B, (2019), 118 (31), 9225-9237.
2. Taguchi, Alexander T. O’Malley* Patrick J., Wraight Colin A., and Dikanov, Sergei A, J Phys Chem Letts, (2018), 5, 2506-2509..
3. Taguchi, Alexander T. O’Malley* Patrick J., Wraight Colin A., and Dikanov, Sergei A, J Phys Chem B, (2014) 118 (6), 1501-1509.
4. Taguchi, Alexander T., O’Malley, Patrick J., Wraight Colin A, and Dikanov Sergei A. Biochemistry, (2013), 52 (41), 7164-7166.
5. Taguchi Alexander T., O’Malley* Patrick J., Wraight Colin A, and Dikanov Sergei A Biochemistry, (2013), 52 (27), 4648-4661.

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