SABRE hyperpolarization of nicotinamide derivatives and their molecular dynamics properties

Abstract

Signal amplification by reversible exchange hyperpolarization explores the chemical structure and kinetic properties of nicotinamide derivatives. N-Benzyl nicotinamide and nicotinic acid hydrazide compounds display relatively fast dissociation rates of approximately 7-8 s-1 and long proton T1 relaxation times of 5-20 s, respectively. Consequently, these substrates exhibit remarkable signal enhancements, reaching approximately 175 and 102 fold, respectively, underscoring the efficacy of the hyperpolarization technique in elucidating the behavior of these compounds. This research highlights the high signal enhancement of nicotinic acid hydrazide and N-benzyl nicotinamide through SABRE hyperpolarization, which was explained by ligand dissociation rate and T1 relaxation time.