Spin polarization transfer mechanisms of SABRE: A magnetic field dependent study

Pravdivtsev, Andrey N.; Ivanov, Konstantin L.; Yurkovskaya, Alexandra V.; Петров, П. А.; Limbach, Hans−Heinrich; Kaptein, Robert; Vieth, Hans‐Martin

doi:10.1016/j.jmr.2015.10.006

Cited by 76 publications

(105 citation statements)

References 49 publications

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“…The presence of a strong J-coupling between 15 N and Ir-HH (≈20 Hz) shifts the maximum of polarization to higher fields ≈12.5 mT and makes wider the field range where polarization transfer occurs (see Figure 1C). The observed behavior can be explained in the same manner as before by using the LAC approach [10,27]. Here we present a numerical simulation of polarization redistribution in the LF-SABRE experiment on the stabilized complexes (see solid lines at Figure 1B,C).…”

Section: H-sabre Field Dependence (Low Field Sabre)supporting

confidence: 57%

“…In the following sections different methods of polarization transfer from the hydride protons (Ir-HH) of the Ir-bpy complexes to the protons of bpy in Ir-bpy and to the 15 N-spins of Ir- 15 Nbpy at low and high magnetic fields are discussed. The general mechanism of polarization transfer is shown in Scheme 1. pH 2 exchanges with the Ir-bpy complex and at appropriate conditions, which are known as level-anti-crossing (LAC) conditions [10,17,26,27] (LACs are not discussed here), the non-equilibrium spin order of the Ir-HH protons can be used to generate hyperpolarization on 1 H and 15 N of bpy in Ir-bpy and Ir-15 Nbpy complexes.…”

Section: Resultsmentioning

confidence: 99%

“…In LF-SABRE we achieved ≈6% of average polarization of In the Ir-bpy case the polarization transfer efficiency is maximal at 6.5 mT, being negative for the protons of bpy and positive for the Ir-HH protons. The behavior of polarization is common for the IrImes complex with different 14 N-substrates, which, unlike bpy, exchange with the Ir-complex [27,30,32]. The field dependence for 15 Nbpy is different.…”

Section: H-sabre Field Dependence (Low Field Sabre)mentioning

confidence: 99%

“…The computation was (if present) and Ir-HH protons. The simulation is done using the simplest approach that is described before [10,27]. The NMR parameters of the spin systems are present in Supplementary Material (SM).…”

Section: H-sabre Field Dependence (Low Field Sabre)mentioning

confidence: 99%

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SABRE Hyperpolarization of Bipyridine Stabilized Ir-Complex at High, Low and Ultralow Magnetic Fields

Pravdivtsev

2016

Zeitschrift Für Physikalische Chemie

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A strong limitation of nuclear magnetic resonance is its low inherent sensitivity that can be overcome by using an appropriate hyperpolarization technique. Presently, dynamic nuclear polarization and spin-exchange optical pumping are the only hyperpolarization techniques that are used in applied medicine. However, both are relatively complex in use and expensive. Here we present a modification of the signal amplification by reversible exchange (SABRE) hyperpolarization method -SABRE on stabilized Ir-complexes. A stabilized Ir-complex (here we used bipyridine for stabilization) can be hyperpolarized in a wide range of magnetic fields from a few μT upto 10 T with 15 N polarization of about 1-3%. Moreover, the investigated complex can be incorporated into biomolecules or other bulky molecules; in this situation exchange with para-hydrogen will allow one to continuously generate hyperpolarization.

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Section: H-sabre Field Dependence (Low Field Sabre)supporting

confidence: 57%

Section: Resultsmentioning

confidence: 99%

Section: H-sabre Field Dependence (Low Field Sabre)mentioning

confidence: 99%

Section: H-sabre Field Dependence (Low Field Sabre)mentioning

confidence: 99%

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SABRE Hyperpolarization of Bipyridine Stabilized Ir-Complex at High, Low and Ultralow Magnetic Fields

Pravdivtsev

2016

Zeitschrift Für Physikalische Chemie

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“…We assumed that both equatorial substrates, [34] S e ,a re exchanging and that the axial substrate, S a ,n ever leaves the complexn or exchanges with equatorial substrates (Figure 2B,C). This is likely to be true for many,b ut not all SABRE complexes.F or example, onlye quatorial substrates are usually involved in polarization transfer induced by RF fields at high magnetic field.…”

Section: Substrate Exchangementioning

confidence: 99%

Front Cover: Simulating Non‐linear Chemical and Physical (CAP) Dynamics of Signal Amplification By Reversible Exchange (SABRE) (Chem. Eur. J. 32/2019)

Pravdivtsev

Hövener

2019

Chemistry A European J

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The hyperpolarization of nuclear spins by using parahydrogen (pH 2 )i saf ascinating technique that allows spin polarization and thus the magnetic resonance signal to be increased by severalo rders of magnitude. Entirely new applicationshave become available. Signal amplification by reversible exchange (SABRE)i sarelatively new method that is based on the reversible exchange of as ubstrate, catalyst and parahydrogen. SABRE is particularly interesting for in vivo medical andi ndustrial applications,s uch as fast and low-cost trace analysiso rc ontinuouss ignal enhancement. Ever since its discovery, many attempts have been made to model andu nderstand SABRE, with various degreeso fs implifications. In this work, we reduced the simplifications further,t aking into account non-linearc hemical and physical (CAP)d ynamics of several multi-spin systems. Am aster equationw as derivedandr ealized using the MOIN opensources oftware. The effectso fd ifferent parameters (exchange rates,c oncentrations,s pin-spin couplings) on relaxation and the polarization level have been evaluated and the resultsp rovide interesting insights into the mechanism of SABRE.[a] Dr.A .N.Pravdivtsev,P rof. Dr.J.-B. Hçvener Section Biomedical Imaging Molecular Imaging North CompetenceC enter (MOINCC)Supporting information and the ORCID identification number(s) for the author(s) of this article can be found under: https://doi.org/10.1002/chem.201806133.T he Supporting information contains an evaluation of the CAP model master equation and NMR parameters of the S, IrH 2 S a S e , IrH 2 S a S e 2 and H 2 systems.

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Parawasserstoff‐induzierte Polarisation von Aminosäuren

et al. 2021

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Die Kernspinresonanz (NMR) hat sich zu einer universellen Methode für biochemische und biomedizinische Studien, einschließlich Metabolomik, Proteomik und Magnetresonanztomographie (MRT), entwickelt. Durch die Vervielfachung des NMR‐Signals ausgewählter Moleküle hat die Kernspin‐Hyperpolarisation das Anwendungsspektrum von NMR und MRT bedeutsam erweitert (z. B. hyperpolarisierte Festkörper‐NMR und metabolische Bildgebung in vivo). Parawasserstoff (pH2) erlaubt es, Moleküle schnell und kostengünstig zu hyperpolarisieren. In diesem Gebiet wurden in den letzten zehn Jahren umfangreiche Fortschritte erzielt, einschließlich der Synthese neuer Tracer, Katalysatoren und Methoden für die Polarisationsübertragung. Das Portfolio an hyperpolarisierten Molekülen umfasst nunmehr Aminosäuren, die für viele Anwendungen von großem Interesse sind. In diesem Beitrag beleuchten wir die aktuelle Literatur zur Hyperpolarisation von Aminosäuren und Peptiden.

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Spin polarization transfer mechanisms of SABRE: A magnetic field dependent study

Cited by 76 publications

References 49 publications

SABRE Hyperpolarization of Bipyridine Stabilized Ir-Complex at High, Low and Ultralow Magnetic Fields

SABRE Hyperpolarization of Bipyridine Stabilized Ir-Complex at High, Low and Ultralow Magnetic Fields

Front Cover: Simulating Non‐linear Chemical and Physical (CAP) Dynamics of Signal Amplification By Reversible Exchange (SABRE) (Chem. Eur. J. 32/2019)

Parawasserstoff‐induzierte Polarisation von Aminosäuren

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