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Fine-tuning the efficiency of para-hydrogen-induced hyperpolarization by rational N-heterocyclic carbene design.

Abstract：

:Iridium N-heterocyclic carbene (NHC) complexes catalyse the para-hydrogen-induced hyperpolarization process, Signal Amplification by Reversible Exchange (SABRE). This process transfers the latent magnetism of para-hydrogen into a substrate, without changing its chemical identity, to dramatically improve its nuclear magnetic resonance (NMR) detectability. By synthesizing and examining over 30 NHC containing complexes, here we rationalize the key characteristics of efficient SABRE catalysis prior to using appropriate catalyst-substrate combinations to quantify the substrate's NMR detectability. These optimizations deliver polarizations of 63% for 1H nuclei in methyl 4,6-d2-nicotinate, 25% for 13C nuclei in a 13C2-diphenylpyridazine and 43% for the 15N nucleus of pyridine-15N. These high detectability levels compare favourably with the 0.0005% 1H value harnessed by a routine 1.5 T clinical MRI system. As signal strength scales with the square of the number of observations, these low cost innovations offer remarkable improvements in detectability threshold that offer routes to significantly reduce measurement time.

journal_name

Nat Commun

journal_title

Nature communications

authors

Rayner PJ,Norcott P,Appleby KM,Iali W,John RO,Hart SJ,Whitwood AC,Duckett SB

doi

10.1038/s41467-018-06766-1

subject

Has Abstract

pub_date

2018-10-12 00:00:00

pages

4251

issue

1

issn

2041-1723

pii

10.1038/s41467-018-06766-1

journal_volume

9

pub_type

杂志文章

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