16-12

P. Spannring, I. Reile, M. Emondts, P.P.M. Schleker, N.K. J. Hermkens, N.G. J. van der Zwaluw, B.J. A. van Weerdenburg, P. Tinnemans, M. Tessari, B. Blìmich, F.P. J. T. Rutjes,

M.C. Feiters,

A New Ir-NHC Catalyst for Signal Amplification by Reversible Exchange in D2O

Chem. Eur. J. 22 (2016) 9277-9282

Abstract:

Abstract: NMR signal amplification by reversible exchange (SABRE) has been observed for pyridine, methyl nicotinate, N-methylnicotinamide, and nicotinamide in D2O with the

new catalyst [Ir(Cl)(IDEG)(COD)] (IDEG=1,3-bis(3,4,5-tris(diethyleneglycol) benzyl)imidazole-2-ylidene). During the activation and hyperpolarization steps, exclusively D2O was used, resulting in the first fully biocompatible SABRE system. Hyperpolarized

1H substrate signals were observed at 42.5 MHz upon pressurizing the solution with parahydrogen at close to the Earth’s magnetic field, at concentrations yielding

barely detectable thermal signals. Moreover, 42-, 26-, 22-, and 9-fold enhancements were observed for nicotinamide, pyridine, methyl nicotinate, and N-methylnicotinamide, respectively, in conventional 300 MHz studies. This research opens up new opportunities in a field in which SABRE has hitherto primarily been conducted in CD3OD. This system uses simple hardware, leaves the substrate unaltered, and shows that SABRE is potentially suitable for clinical purposes.