Hyperpolarized long-lived spin state of methylene protons of 2-bromoethanol obtained from ethylene with non-equilibrium nuclear spin order

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Hyperpolarized long-lived spin state of methylene protons of 2-bromoethanol obtained from ethylene with non-equilibrium nuclear spin order. / Babenko, Simon V.; Sviyazov, Sergey V.; Burueva, Dudari B. et al.

In: Journal of Magnetic Resonance, Vol. 360, 107648, 03.2024.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{ccdf6d5612dd4309a67d733cf8bfc64f,

title = "Hyperpolarized long-lived spin state of methylene protons of 2-bromoethanol obtained from ethylene with non-equilibrium nuclear spin order",

abstract = "In this work we achieve a significant overpopulation (PLLS≈1%) of the long-lived spin state (LLS) of methylene protons in 2-bromoethan(2H)ol (BrEtOD) obtained in a reaction between ethylene with non-equilibrium nuclear spin order and bromine water. Given all protons in ethylene are magnetically equivalent, its nuclear states are classified into nuclear spin isomers (NSIM) with total spin I = 2,1,0. Addition of parahydrogen to acetylene produces ethylene with a population of only those NSIMs with I = 1,0. As a result of the reaction with bromine water the non-equilibrium spin order of ethylene is partly transferred to the singlet LLS involving the two methylene groups of BrEtOD. The 1H NMR signal enhancement (SE≈200) obtained as a result of the LLS readout is approximately equal to the SE of the hyperpolarized BrEtOD obtained with a single π/4 pulse. The LLS relaxation time (TLLS) was shown to be approximately 40 s (≈8T1) in the argon-bubbled sample.",

keywords = "2-bromoethanol, Ethylene, Hyperpolarization, LLS, Long-lived state, Parahydrogen",

author = "Babenko, {Simon V.} and Sviyazov, {Sergey V.} and Burueva, {Dudari B.} and Koptyug, {Igor V.}",

note = "The spin dynamics calculations performed by S.V.B. and I.V.K. were supported by the Russian Science Foundation ( grant # 22-43-04426 ). S.V.S. and D.B.B. thank the Russian Science Foundation for financial support of the PHIP experiments ( grant # 21-73-10105 ). The authors thank the Russian Ministry of Science and Higher Education for the access to NMR equipment.",

year = "2024",

month = mar,

doi = "10.1016/j.jmr.2024.107648",

language = "English",

volume = "360",

journal = "Journal of Magnetic Resonance",

issn = "1090-7807",

publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Hyperpolarized long-lived spin state of methylene protons of 2-bromoethanol obtained from ethylene with non-equilibrium nuclear spin order

AU - Babenko, Simon V.

AU - Sviyazov, Sergey V.

AU - Burueva, Dudari B.

AU - Koptyug, Igor V.

N1 - The spin dynamics calculations performed by S.V.B. and I.V.K. were supported by the Russian Science Foundation ( grant # 22-43-04426 ). S.V.S. and D.B.B. thank the Russian Science Foundation for financial support of the PHIP experiments ( grant # 21-73-10105 ). The authors thank the Russian Ministry of Science and Higher Education for the access to NMR equipment.

PY - 2024/3

Y1 - 2024/3

N2 - In this work we achieve a significant overpopulation (PLLS≈1%) of the long-lived spin state (LLS) of methylene protons in 2-bromoethan(2H)ol (BrEtOD) obtained in a reaction between ethylene with non-equilibrium nuclear spin order and bromine water. Given all protons in ethylene are magnetically equivalent, its nuclear states are classified into nuclear spin isomers (NSIM) with total spin I = 2,1,0. Addition of parahydrogen to acetylene produces ethylene with a population of only those NSIMs with I = 1,0. As a result of the reaction with bromine water the non-equilibrium spin order of ethylene is partly transferred to the singlet LLS involving the two methylene groups of BrEtOD. The 1H NMR signal enhancement (SE≈200) obtained as a result of the LLS readout is approximately equal to the SE of the hyperpolarized BrEtOD obtained with a single π/4 pulse. The LLS relaxation time (TLLS) was shown to be approximately 40 s (≈8T1) in the argon-bubbled sample.

AB - In this work we achieve a significant overpopulation (PLLS≈1%) of the long-lived spin state (LLS) of methylene protons in 2-bromoethan(2H)ol (BrEtOD) obtained in a reaction between ethylene with non-equilibrium nuclear spin order and bromine water. Given all protons in ethylene are magnetically equivalent, its nuclear states are classified into nuclear spin isomers (NSIM) with total spin I = 2,1,0. Addition of parahydrogen to acetylene produces ethylene with a population of only those NSIMs with I = 1,0. As a result of the reaction with bromine water the non-equilibrium spin order of ethylene is partly transferred to the singlet LLS involving the two methylene groups of BrEtOD. The 1H NMR signal enhancement (SE≈200) obtained as a result of the LLS readout is approximately equal to the SE of the hyperpolarized BrEtOD obtained with a single π/4 pulse. The LLS relaxation time (TLLS) was shown to be approximately 40 s (≈8T1) in the argon-bubbled sample.

KW - 2-bromoethanol

KW - Ethylene

KW - Hyperpolarization

KW - LLS

KW - Long-lived state

KW - Parahydrogen

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85185842627&origin=inward&txGid=683212c8bd0f9f986ccdd2d823c85f01

UR - https://www.mendeley.com/catalogue/a6b44bd2-28ce-348a-b36c-1e7da8c31d76/

U2 - 10.1016/j.jmr.2024.107648

DO - 10.1016/j.jmr.2024.107648

M3 - Article

C2 - 38401476

VL - 360

JO - Journal of Magnetic Resonance

JF - Journal of Magnetic Resonance

SN - 1090-7807

M1 - 107648

ER -

ID: 61129728