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

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Gas-Phase NMR of Hyperpolarized Propane with ¹H-to-¹³C Polarization Transfer by PH-INEPT. / Burueva, Dudari B.; Kozinenko, Vitaly P.; Sviyazov, Sergey и др.

в: Applied Magnetic Resonance, Том 53, № 3-5, 05.2022, стр. 653-669.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{b1c9a1f6d78d427a8dc689006cdda8cc,

title = "Gas-Phase NMR of Hyperpolarized Propane with 1H-to-13C Polarization Transfer by PH-INEPT",

abstract = "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.",

keywords = "PARAHYDROGEN-INDUCED POLARIZATION, LIVED SPIN STATES, PARA-HYDROGEN, HETEROGENEOUS HYDROGENATION, CATALYTIC-HYDROGENATION, SIGNAL ENHANCEMENT, ORDER TRANSFER, C-13, RELAXATION, H-1",

author = "Burueva, {Dudari B.} and Kozinenko, {Vitaly P.} and Sergey Sviyazov and Kovtunova, {Larisa M.} and Valerii Bukhtiyarov and Chekmenev, {Eduard Y.} and Salnikov, {Oleg G.} and Kirill Kovtunov and Igor Koptyug",

note = "Funding Information: The HET-PHIP experiments performed by DBB, SVS, OGS, and IVK were funded by Russian Foundation for Basic Research (RFBR; Grants no. 19-29-10003 and 19-33-60045). The spin dynamics calculation performed by VPK was supported by RFBR grant no. 19-29-10028. The catalyst preparation performed by LMK was supported by the Ministry of Science and Higher Education of the Russian Federation (project # AAAA-A21-121011390011-4). EYC thanks the following for funding support: DOD CDMRP W81XWH15-1-0271 and W81XWH-20-10576, National Heart, Lung, and Blood Institute 1 R21 HL154032-01 and NSF CHE-1904780. Publisher Copyright: {\textcopyright} 2021, The Author(s), under exclusive licence to Springer-Verlag GmbH Austria, part of Springer Nature.",

year = "2022",

month = may,

doi = "10.1007/s00723-021-01377-4",

language = "English",

volume = "53",

pages = "653--669",

journal = "Applied Magnetic Resonance",

issn = "0937-9347",

publisher = "Springer-Verlag GmbH and Co. KG",

number = "3-5",

}

RIS

TY - JOUR

T1 - Gas-Phase NMR of Hyperpolarized Propane with 1H-to-13C Polarization Transfer by PH-INEPT

AU - Burueva, Dudari B.

AU - Kozinenko, Vitaly P.

AU - Sviyazov, Sergey

AU - Kovtunova, Larisa M.

AU - Bukhtiyarov, Valerii

AU - Chekmenev, Eduard Y.

AU - Salnikov, Oleg G.

AU - Kovtunov, Kirill

AU - Koptyug, Igor

N1 - Funding Information: The HET-PHIP experiments performed by DBB, SVS, OGS, and IVK were funded by Russian Foundation for Basic Research (RFBR; Grants no. 19-29-10003 and 19-33-60045). The spin dynamics calculation performed by VPK was supported by RFBR grant no. 19-29-10028. The catalyst preparation performed by LMK was supported by the Ministry of Science and Higher Education of the Russian Federation (project # AAAA-A21-121011390011-4). EYC thanks the following for funding support: DOD CDMRP W81XWH15-1-0271 and W81XWH-20-10576, National Heart, Lung, and Blood Institute 1 R21 HL154032-01 and NSF CHE-1904780. Publisher Copyright: © 2021, The Author(s), under exclusive licence to Springer-Verlag GmbH Austria, part of Springer Nature.

PY - 2022/5

Y1 - 2022/5

N2 - 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.

AB - 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.

KW - PARAHYDROGEN-INDUCED POLARIZATION

KW - LIVED SPIN STATES

KW - PARA-HYDROGEN

KW - HETEROGENEOUS HYDROGENATION

KW - CATALYTIC-HYDROGENATION

KW - SIGNAL ENHANCEMENT

KW - ORDER TRANSFER

KW - C-13

KW - RELAXATION

KW - H-1

UR - http://www.scopus.com/inward/record.url?scp=85128383371&partnerID=8YFLogxK

U2 - 10.1007/s00723-021-01377-4

DO - 10.1007/s00723-021-01377-4

M3 - Article

VL - 53

SP - 653

EP - 669

JO - Applied Magnetic Resonance

JF - Applied Magnetic Resonance

SN - 0937-9347

IS - 3-5

ER -

ID: 34729559