Gas-Phase NMR of Hyperpolarized Propane with 1H-to-13C Polarization Transfer by PH-INEPT | Sciact - CRIS-system of Boreskov Institute of Catalysis

Gas-Phase NMR of Hyperpolarized Propane with 1H-to-13C Polarization Transfer by PH-INEPT Full article

Journal

Applied Magnetic Resonance
ISSN: 0937-9347 , E-ISSN: 1613-7507

Output data

Year: 2022, Volume: 53, Number: 3-5, Pages: 653–669 Pages count : 17 DOI: 10.1007/s00723-021-01377-4

Tags

Parahydrogen-induced polarization; lived spin states; para-hydrogen; heterogeneous hydrogenation; catalytic-hydrogenation; signal enhancement; Order transfer; C-13; Relaxation; H1

Authors

Burueva Dudari B. ^1,2 , Kozinenko Vitaly P. ^1,2 , Sviyazov Sergey V. ^1,2 , Kovtunova Larisa M. ^1,3 , Bukhtiyarov Valerii I. ^2,3 , Chekmenev Eduard Y. ^4,5 , Salnikov Oleg G. ^1,2,3 , Kovtunov Kirill V. ^1,2 , Koptyug Igor V. ¹

Affiliations

1	International Tomography Center SB RAS, 3A Institutskaya St., Novosibirsk 630090, Russia
2	Novosibirsk State University, 2 Pirogova St., Novosibirsk 630090, Russia
3	Boreskov Institute of Catalysis SB RAS, 5 Acad. Lavrentiev Ave., Novosibirsk 630090, Russia
4	Wayne State University, 5101 Cass Ave, Detroit, MI 48202, USA
5	Russian Academy of Sciences, 14 Leninskiy Prospekt, Moscow 119991, Russia

Funding (8)

1	Russian Foundation for Basic Research	19-29-10003 (АААА-А19-119100890052-8)
2	Russian Foundation for Basic Research	19-33-60045
3	Ministry of Science and Higher Education of the Russian Federation	0239-2021-0002
4	United States Department of Defense	W81XWH-15-1-0271
5	Russian Foundation for Basic Research	19-29-10028 (АААА-А19-119101890040-2)
6	United States Department of Defense	W81XWH-20-10576
7	National Institutes of Health	1R21HL154032-01
8	National Science Foundation	CHE-1904780

In this work we demonstrate the possibility to transfer parahydrogen-derived 1H polarization to 13C nuclei in the gas phase using PH-INEPT-based pulse sequences. The propane with hyperpolarized 1H nuclei was produced via hydrogenation of propylene (at natural 13C abundance) with parahydrogen over the heterogeneous 1 wt% Rh/TiO2 catalyst at 7.05 T magnetic field of a NMR spectrometer. The apparent proton polarization was estimated as 1.8 ± 0.4%, taking into account the polarization losses caused by spin relaxation. The optimal inter-pulse delays for both the PH-INEPT and the PH-INEPT + sequences were determined via the numerical calculations considering the full spin system of propane which includes eight protons and one 13C nucleus. The application of the optimized PH-INEPT polarization transfer sequence resulted in the 13C polarization values of 0.07 ± 0.01% and 0.030 ± 0.006% for the methyl group of [1-13C]propane and the methylene group of [2-13C]propane, respectively. The experimental dependence of the 13C polarization values for [1-13C]propane and [2-13C]propane on the inter-pulse delay τ1 of the PH-INEPT sequence is in a good agreement with the simulation. The resulting 13C polarization using PH-INEPT + sequence is ~ 2.5 times lower than that via PH-INEPT, which is also consistent with the numerical calculations.

Burueva D.B. , Kozinenko V.P. , Sviyazov S.V. , Kovtunova L.M. , Bukhtiyarov V.I. , Chekmenev E.Y. , Salnikov O.G. , Kovtunov K.V. , Koptyug I.V.
Gas-Phase NMR of Hyperpolarized Propane with 1H-to-13C Polarization Transfer by PH-INEPT
Applied Magnetic Resonance. 2022. V.53. N3-5. P.653–669. DOI: 10.1007/s00723-021-01377-4 WOS Scopus РИНЦ ANCAN OpenAlex

Submitted:	Apr 28, 2021
Accepted:	Jun 20, 2021
Published online:	Jul 14, 2021
Published print:	May 1, 2022

Web of science:	WOS:000673542700001
Scopus:	2-s2.0-85128383371
Elibrary:	48429610
Chemical Abstracts:	2021:2192011
Chemical Abstracts (print):	178:207114
OpenAlex:	W3179477339

DB	Citing
Web of science	9
Scopus	5
Elibrary	10
OpenAlex	11