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Mechanism of spontaneous polarization transfer in high-field SABRE experiments. / Knecht, Stephan; Kiryutin, Alexey S.; Yurkovskaya, Alexandra V. и др.

в: Journal of Magnetic Resonance, Том 287, 01.02.2018, стр. 74-81.

Результаты исследований: Научные публикации в периодических изданияхстатьяРецензирование

Harvard

Knecht, S, Kiryutin, AS, Yurkovskaya, AV & Ivanov, KL 2018, 'Mechanism of spontaneous polarization transfer in high-field SABRE experiments', Journal of Magnetic Resonance, Том. 287, стр. 74-81. https://doi.org/10.1016/j.jmr.2017.12.018

APA

Knecht, S., Kiryutin, A. S., Yurkovskaya, A. V., & Ivanov, K. L. (2018). Mechanism of spontaneous polarization transfer in high-field SABRE experiments. Journal of Magnetic Resonance, 287, 74-81. https://doi.org/10.1016/j.jmr.2017.12.018

Vancouver

Knecht S, Kiryutin AS, Yurkovskaya AV, Ivanov KL. Mechanism of spontaneous polarization transfer in high-field SABRE experiments. Journal of Magnetic Resonance. 2018 февр. 1;287:74-81. doi: 10.1016/j.jmr.2017.12.018

Author

Knecht, Stephan ; Kiryutin, Alexey S. ; Yurkovskaya, Alexandra V. и др. / Mechanism of spontaneous polarization transfer in high-field SABRE experiments. в: Journal of Magnetic Resonance. 2018 ; Том 287. стр. 74-81.

BibTeX

@article{837568f0876144fca0be83ebd36a9c31,
title = "Mechanism of spontaneous polarization transfer in high-field SABRE experiments",
abstract = "We propose an explanation of the previously reported SABRE (Signal Amplification By Reversible Exchange) effect at high magnetic fields, observed in the absence of RF-excitation and relying only on “spontaneous” polarization transfer from parahydrogen (pH2, the H2 molecule in its nuclear singlet spin state) to a SABRE substrate. We propose a detailed mechanism for spontaneous polarization transfer and show that it is comprised of three steps: (i) Generation of the anti-phase {\^I}1z{\^I}2z spin order of catalyst-bound H2; (ii) spin order conversion {\^I}1z{\^I}2z→({\^I}1z+{\^I}2z) due to cross-correlated relaxation, leading to net polarization of H2; (iii) polarization transfer to the SABRE substrate, occurring due to NOE. Formation of anti-phase polarization is due to singlet-to-T0 mixing in the catalyst-bound form of H2, while cross-correlated relaxation originates from fluctuations of dipole–dipole interactions and chemical shift anisotropy. The proposed mechanism is supported by a theoretical treatment, magnetic field-dependent studies and high-field NMR measurements with both pH2 and thermally polarized H2.",
keywords = "PARAHYDROGEN INDUCED POLARIZATION, NMR SIGNAL AMPLIFICATION, PARA-HYDROGEN, REVERSIBLE EXCHANGE, MAGNETIC-FIELD, N-15 HYPERPOLARIZATION, CROSS-CORRELATIONS, SPIN POLARIZATION, RELAXATION, KINETICS",
author = "Stephan Knecht and Kiryutin, {Alexey S.} and Yurkovskaya, {Alexandra V.} and Ivanov, {Konstantin L.}",
note = "Publisher Copyright: {\textcopyright} 2017 Elsevier Inc.",
year = "2018",
month = feb,
day = "1",
doi = "10.1016/j.jmr.2017.12.018",
language = "English",
volume = "287",
pages = "74--81",
journal = "Journal of Magnetic Resonance",
issn = "1090-7807",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Mechanism of spontaneous polarization transfer in high-field SABRE experiments

AU - Knecht, Stephan

AU - Kiryutin, Alexey S.

AU - Yurkovskaya, Alexandra V.

AU - Ivanov, Konstantin L.

N1 - Publisher Copyright: © 2017 Elsevier Inc.

PY - 2018/2/1

Y1 - 2018/2/1

N2 - We propose an explanation of the previously reported SABRE (Signal Amplification By Reversible Exchange) effect at high magnetic fields, observed in the absence of RF-excitation and relying only on “spontaneous” polarization transfer from parahydrogen (pH2, the H2 molecule in its nuclear singlet spin state) to a SABRE substrate. We propose a detailed mechanism for spontaneous polarization transfer and show that it is comprised of three steps: (i) Generation of the anti-phase Î1zÎ2z spin order of catalyst-bound H2; (ii) spin order conversion Î1zÎ2z→(Î1z+Î2z) due to cross-correlated relaxation, leading to net polarization of H2; (iii) polarization transfer to the SABRE substrate, occurring due to NOE. Formation of anti-phase polarization is due to singlet-to-T0 mixing in the catalyst-bound form of H2, while cross-correlated relaxation originates from fluctuations of dipole–dipole interactions and chemical shift anisotropy. The proposed mechanism is supported by a theoretical treatment, magnetic field-dependent studies and high-field NMR measurements with both pH2 and thermally polarized H2.

AB - We propose an explanation of the previously reported SABRE (Signal Amplification By Reversible Exchange) effect at high magnetic fields, observed in the absence of RF-excitation and relying only on “spontaneous” polarization transfer from parahydrogen (pH2, the H2 molecule in its nuclear singlet spin state) to a SABRE substrate. We propose a detailed mechanism for spontaneous polarization transfer and show that it is comprised of three steps: (i) Generation of the anti-phase Î1zÎ2z spin order of catalyst-bound H2; (ii) spin order conversion Î1zÎ2z→(Î1z+Î2z) due to cross-correlated relaxation, leading to net polarization of H2; (iii) polarization transfer to the SABRE substrate, occurring due to NOE. Formation of anti-phase polarization is due to singlet-to-T0 mixing in the catalyst-bound form of H2, while cross-correlated relaxation originates from fluctuations of dipole–dipole interactions and chemical shift anisotropy. The proposed mechanism is supported by a theoretical treatment, magnetic field-dependent studies and high-field NMR measurements with both pH2 and thermally polarized H2.

KW - PARAHYDROGEN INDUCED POLARIZATION

KW - NMR SIGNAL AMPLIFICATION

KW - PARA-HYDROGEN

KW - REVERSIBLE EXCHANGE

KW - MAGNETIC-FIELD

KW - N-15 HYPERPOLARIZATION

KW - CROSS-CORRELATIONS

KW - SPIN POLARIZATION

KW - RELAXATION

KW - KINETICS

UR - http://www.scopus.com/inward/record.url?scp=85039842622&partnerID=8YFLogxK

U2 - 10.1016/j.jmr.2017.12.018

DO - 10.1016/j.jmr.2017.12.018

M3 - Article

C2 - 29304387

AN - SCOPUS:85039842622

VL - 287

SP - 74

EP - 81

JO - Journal of Magnetic Resonance

JF - Journal of Magnetic Resonance

SN - 1090-7807

ER -

ID: 9264985