Abstract #4286

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

Belinda Yuan Ding¹, Justin Y C Lau^2,3, Andrew Tyler², Kerstin N Timm², Christopher Rodgers¹, Sarah Jenkinson⁴, Brett W C Kennedy⁵, Damian Tyler^2,3, and Jack J. Miller^2,3,6

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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