Only Para-Hydrogen Spectroscopy (OPSY) Revisited: In-Phase Spectra for Chemical Analysis and Imaging

J Phys Chem A. 2018 Nov 15;122(45):8948-8956. doi: 10.1021/acs.jpca.8b07459. Epub 2018 Nov 5.

Abstract

We revisited only para-hydrogen spectroscopy (OPSY) for the analysis of para-hydrogen-enhanced NMR spectra at high magnetic fields. We found that the sign of the gradients and interpulse delays are pivotal for the performance of the sequence: the variant of double-quantum filter OPSY, where the second time interval is twice as long as the first one (OPSYd-12) converts the antiphase spectrum to in-phase and efficiently suppresses the background signal in a single scan better than the other variants. OPSYd-12 strongly facilitates the analysis of para-hydrogen-derived NMR spectra in homogeneous and inhomogeneous magnetic fields. Furthermore, the net magnetization produced is essential for subsequent applications such as imaging, e.g., in a reaction chamber or in vivo.