A New Liquid-state 400MHz NMR Spectrometer for Molecular Characterisation

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Functional molecules and macromolecules find applications in our everyday lives, from cosmetics to shampoo and cleaning products through to pharmaceutically active medicines and agrochemical pesticides. One of our roles as chemists is to understand how atoms are arranged and connected in these molecules. In this way, we can correlate the structure of a molecule directly to its properties; their subsequent application allows them to be incorporated into our everyday lives. One key technique used to study these molecules is liquid-state NMR spectroscopy. This technique is used to generate a detailed understanding of how the atoms are arranged in molecules, allowing us to understand how atomic arrangements change in chemical reactions. In turn, this allows us to build designer molecules for specific and selective purposes. This proposal will enable the purchase of a new liquid-state NMR spectrometer that will replace an obsolete and inefficient spectrometer. This new spectrometer will be part of the liquid-state NMR facility at St Andrews, giving us high sample throughput (typically over 75000 samples per year) and allowing us to study the connectivity of thousands of molecules. The new machine will be more sustainable than the older model, using less energy and coolants in normal use (estimated savings of £4 k per year) while improving research efficiency and productivity. Liquid-state NMR is a widely used technique in the physical sciences, directly supporting over 50% of the total researcher headcount in the School of Chemistry at the University of St Andrews. This facility will support the research of two early career researchers and a large number of PhD students (including those in the CRITICAT and EaSICAT doctoral training programmes) and post-doctoral researchers, in addition to over half of the established academics within the School.The vision is that this equipment will be an important step towards our goal of transforming the sustainability of our world-class facilities, thereby securing the instrumentation base necessary to allow us to continue to deliver world-leading research into the future. It will provide a core science facility that can be accessed by all researchers across the University to enhance the quality of science possible. The work that will be carried out will focus on a variety of systems of fundamental scientific interest as well as those with applications in pharmaceuticals, agrochemicals and healthcare.