Advanced NMR Methods for Complex Mixture Analysis Driven by Industrial Challenges

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Reliable characterisation of active pharmaceutical ingredients is key to understanding the properties of drug formulations. In particular, assessing purity at various stages in production is essential, as it is a requirement that low-level impurities need to be identified and characterised in order for a new drug to receive regulatory approval. NMR spectroscopy is a powerful tool for structural analysis of pure compounds. However, current NMR methods struggle to extract the required information in a straightforward and reliable manner from complex mixtures. This project is focused on the development and application of advanced NMR methods that maximise our ability to identify and characterise low-level species present in mixtures. Throughout the project, experiment, theory and computer simulation will proceed hand-in-hand with application to chemical problems including pharmaceutical formulations, where regulatory requirements make it necessary to quantify and characterise species present above 0.1%.