Keywords: Biology, Models, Methods, Modelling
Motivation: Isotope exchange at equilibrium complicates interpretation hyperpolarized [1-13C]pyruvate MR. Modelling this phenomenon could help to quantify the effect of exchange on HP MR signal.
Goal(s): Investigate how isotope exchange (compensatory backward conversion of unlabeled lactate concurrent with labeled lactate production) occurs and affects hyperpolarized [1-13C]pyruvate MR.
Approach: Develop a realistic computational model of pyruvate-lactate interconversion and apply it to characterize how different levels of endogenous lactate influence metabolic reaction kinetics and exchange.
Results: Elevation of unlabeled lactate increases isotope exchange at equilibrium. Net production of lactate occurs unless total lactate exceeds its equilibrium ratio with total pyruvate.
Impact: This in silico model of isotope exchange in hyperpolarized [1-13C]pyruvate MR realistically replicates spectroscopic measurements, with particle-level data for a range of conditions providing insight into metabolic dynamics relevant to complex cellular architectures with different local equilibria.
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