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Abstract #4286

Polarisation, T1 and Synthetic Impurities in Hyperpolarised Acetoacetate: Density Functional Theory to In Vivo Application

Belinda Yuan Ding1, Justin Y C Lau2,3, Andrew Tyler2, Kerstin N Timm2, Christopher Rodgers1, Sarah Jenkinson4, Brett W C Kennedy5, Damian Tyler2,3, and Jack J. Miller2,3,6

1Wolfson Brain Imaging Centre, University of Cambridge, Cambridge, United Kingdom, 2Department of Physiology, Anatomy and Genetics, University of Oxford, Oxford, United Kingdom, 3Oxford Centre for Clinical Cardiac Magnetic Resonance Research, University of Oxford, Oxford, United Kingdom, 4Department of Chemistry, University of Oxford, Oxford, United Kingdom, 5University Hospitals Bristol NHFS Foundation Trust, Bristol, United Kingdom, 6Department of Physics, University of Oxford, Oxford, United Kingdom

Alterations in ketone body metabolism are implicated in disease. Several studies have observed metabolism in hyperpolarised sodium acetoacetate, but as a hyperpolarised probe it has a short T1 (28s at 7T), limiting polarisation of 7-8%, and is often chemically impure as it spontaneously decarboxylates at neutral pH at 300K. We have studied selective deuteration of [1-13C] and [1,3-13C]acetoacetate together and evaluated the effect of salt solvation on hyperpolarisation in the discretised Borghini model of thermal mixing. Li+[2,2-2H2,1,3-13C2]acetoacetate is observed to have a higher limiting polarisation and substantially longer T1 than Na+[1-13C]acetocetate.

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