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Improving the Resolution of Quantitative NMR


Project Description

Quantitation is a core analytical challenge, with particular importance in pharmaceutical research, development and quality control. NMR is unique in combining chemical specificity and resolving power with a fundamentally quantitative character: the signal intensities measured are, over a very wide dynamic range, directly proportional to the numbers of spins involved. However, in mixture analysis NMR is rarely used to its full potential. This is primarily because the methods that give the best quantitation (notably pulse-acquire) have the poorest resolution, and the methods (e.g. multidimensional NMR, pure shift NMR) that have the best resolution give relatively poor quantitation because signal is lost, through a variety of different mechanisms. This project seeks to extend the fully quantitative character of pulse-acquire methods to a much wider range of NMR techniques, giving a step function improvement in the quantitative performance of NMR methods in the most challenging analytical problems. We will focus initially on “pure shift” NMR methods, because these offer the highest resolving power of any current NMR techniques, but the methods to be developed will be applicable across the full range of multiple pulse NMR.
The project will use experiment, numerical simulation and theory to explore solutions to the challenges of making modern NMR methods quantitative, and will provide a broad training in practical NMR spectroscopy, method development, and computer simulation.

Academic background of candidates:
Applicants are expected to hold, or be about to obtain, a minimum upper second class undergraduate degree (or equivalent) in Chemistry or a cognate discipline. A Masters degree in a relevant subject and experience in NMR spectroscopy are desirable.

Contact for further Information:
Professor Gareth Morris

https://www.research.manchester.ac.uk/portal/gareth.morris.html
https://www.nmr.chemistry.manchester.ac.uk

Funding Notes

This is a 3.5 year EPSRC DTG funded studentship covering fees and stipend (£15,009 in 2019-20)

Open to UK/EU applicants only due to funding restrictions.

We expect the programme to commence in September 2020

References

1] “Diastereomeric Ratio Determination by High Sensitivity Band-Selective Pure Shift NMR Spectroscopy”, Ralph W. Adams, Liam Byrne, Péter Király, Mohammadali Foroozandeh, Liladhar Paudel, Mathias Nilsson, Jonathan Clayden and Gareth A. Morris, Chem. Commun. 50, 2512-2514 (2014). DOI: 10.1039/C3CC49659G.
2] “Ultra-high resolution NMR spectroscopy”. Mohammadali Foroozandeh, Ralph W. Adams, Nicola Meharry, Damien Jeannerat, Mathias Nilsson and Gareth A. Morris, Angew. Chem., Int. Ed. 53, 6990-6992 (2014). DOI: 10.1002/anie.201404111.
3] “Real-time pure shift 15N HSQC of proteins: a real improvement in resolution and sensitivity”. Peter Kiraly, Ralph W. Adams, Liladhar Paudel, Mohammadali Foroozandeh, Juan A. Aguilar, István Timári, Matthew J. Cliff, Mathias Nilsson, Péter Sándor, Gyula Batta, Jonathan P. Waltho, Katalin E. Kövér, Gareth A. Morris, J. Biomol. NMR 62, 43-52 (2015). DOI: 10.1007/s10858-015-9913-z.
4] “Ultraclean pure shift NMR”. Pinelopi Moutzouri, Yingxian Chen, Mohammadali Foroozandeh, Peter Kiraly, Andrew R. Phillips, Steven R. Coombes, Mathias Nilsson and Gareth A. Morris, Chem. Commun. 53, 10188-10191 (2017). DOI: 10.1039/C7CC04423B.
5] “PSYCHE Pure Shift NMR Spectroscopy”. Mohammadali Foroozandeh, Gareth A. Morris, and Mathias Nilsson, Chem. Eur. J. 24, 13988 – 14000 (2018). DOI: 10.1002/chem.201800524.

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