In situ photochemistry for benchtop NMR spectroscopy with parahydrogen hyperpolarisation

This project involves the development of novel hyperpolarisation methods for benchtop nuclear magnetic resonance (NMR) spectroscopy. Magnetic resonance is routinely used in a wide range of applications from synthetic chemistry to medical diagnosis but suffers from an inherent low sensitivity and is very expensive. Recent technological advances have led to the development of low-cost benchtop NMR spectrometers that are based on permanent magnets and operate at fields of 1-2 T and with better than 20 ppb spectral resolution. These devices represent a significant step forward in the effort to use NMR spectroscopy outside of the typical laboratory environment; however, the relatively low magnetic field results in a significant reduction in sensitivity when compared to standard high-field NMR spectrometers. Hyperpolarisation methods, such as dynamic nuclear polarization (DNP) and parahydrogen-induced polarisation (PHIP), boost NMR sensitivity by dramatically increasing the nuclear spin polarisation via transfer from other highly polarised species: unpaired electrons in the case of DNP and parahydrogen (p-H2) in case of PHIP.
The PhD project will develop a novel approach to parahydrogen hyperpolarization in which in situ photochemistry is used to initiate a reaction with p-H2 in a synchronized way, such that NMR signal enhancements are observed on micro-to-millisecond timescales. It will involve several aspects including: (a) the implementation of in situ photochemistry on a benchtop NMR spectrometer using both a continuous and single-shot approach to the photochemical initiation step, (b) the investigation of the photochemistry of a range of transition metal complexes using the benchtop NMR instrument with p-H2 hyperpolarisation, and (c) the design and implementation of novel NMR pulse sequences for the direct observation and control of polarisation transfer from p-H2 to other NMR-active nuclei in a relatively low magnetic field (1 T).

The project will be carried out under the joint supervision of Dr. Meghan Halse and Prof. Simon Duckett. The project will be based in the Centre for Hyperpolarisation in Magnetic Resonance (CHyM), a cutting edge research facility in the Department of Chemistry under the direction of Prof. Simon Duckett that specializes in the development of p-H2 based methodologies in liquid-state NMR, with a particular focus on the development of hyperpolarised agents for use in clinicial MRI. Training will be provided on a broad range of experimental and theoretical aspects of magnetic resonance and photochemistry and skills in synthesis, advanced data analysis and NMR analysis will also be developed, as required. Mass spectrometry and UV/IR methods will be employed when relevant and complementary to the NMR experiments.

Shortlisting will take place as soon as possible after the closing date and successful applicants will be notified promptly. Shortlisted applicants will be invited for an interview to take place at the University of York on Friday 12 May. Candidates will be asked to give a short presentation prior to their interview by an academic panel. All research students follow our innovative Doctoral Training in Chemistry (iDTC): cohort-based training to support the development of scientific, transferable and employability skills

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