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Interplay of Near-Zero-Field Dephasing, Rephasing, and Relaxation Dynamics and [1-13C]Pyruvate Polarization Transfer Efficiency in Pulsed SABRE-SHEATH.

Publication ,  Journal Article
Nantogma, S; Eriksson, SL; Adelabu, I; Mandzhieva, I; Browning, A; TomHon, P; Warren, WS; Theis, T; Goodson, BM; Chekmenev, EY
Published in: The journal of physical chemistry. A
December 2022

Hyperpolarized [1-13C]pyruvate is a revolutionary molecular probe enabling ultrafast metabolic MRI scans in 1 min. This technology is now under evaluation in over 30 clinical trials, which employ dissolution Dynamic Nuclear Polarization (d-DNP) to prepare a batch of the contrast agent; however, d-DNP technology is slow and expensive. The emerging SABRE-SHEATH hyperpolarization technique enables fast (under 1 min) and robust production of hyperpolarized [1-13C]pyruvate via simultaneous chemical exchange of parahydrogen and pyruvate on IrIMes hexacoordinate complexes. Here, we study the application of microtesla pulses to investigate their effect on C-13 polarization efficiency, compared to that of conventional SABRE-SHEATH employing a static field (∼0.4 μT), to provide the matching conditions of polarization transfer from parahydrogen-derived hydrides to the 13C-1 nucleus. Our results demonstrate that using square-microtesla pulses with optimized parameters can produce 13C-1 polarization levels of up to 14.8% (when detected, averaging over all resonances), corresponding to signal enhancement by over 122,000-fold at the clinically relevant field of 1.4 T. We anticipate that our results can be directly translated to other structurally similar biomolecules such as [1-13C]α-ketoglutarate and [1-13C]α-ketoisocaproate. Moreover, other more advanced pulse shapes can potentially further boost heteronuclear polarization attainable via pulsed SABRE-SHEATH.

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Published In

The journal of physical chemistry. A

DOI

EISSN

1520-5215

ISSN

1089-5639

Publication Date

December 2022

Volume

126

Issue

48

Start / End Page

9114 / 9123

Related Subject Headings

  • Pyruvic Acid
  • 5102 Atomic, molecular and optical physics
  • 3407 Theoretical and computational chemistry
  • 3406 Physical chemistry
  • 0307 Theoretical and Computational Chemistry
  • 0306 Physical Chemistry (incl. Structural)
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics
 

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Nantogma, S., Eriksson, S. L., Adelabu, I., Mandzhieva, I., Browning, A., TomHon, P., … Chekmenev, E. Y. (2022). Interplay of Near-Zero-Field Dephasing, Rephasing, and Relaxation Dynamics and [1-13C]Pyruvate Polarization Transfer Efficiency in Pulsed SABRE-SHEATH. The Journal of Physical Chemistry. A, 126(48), 9114–9123. https://doi.org/10.1021/acs.jpca.2c07150
Nantogma, Shiraz, Shannon L. Eriksson, Isaiah Adelabu, Iuliia Mandzhieva, Austin Browning, Patrick TomHon, Warren S. Warren, Thomas Theis, Boyd M. Goodson, and Eduard Y. Chekmenev. “Interplay of Near-Zero-Field Dephasing, Rephasing, and Relaxation Dynamics and [1-13C]Pyruvate Polarization Transfer Efficiency in Pulsed SABRE-SHEATH.The Journal of Physical Chemistry. A 126, no. 48 (December 2022): 9114–23. https://doi.org/10.1021/acs.jpca.2c07150.
Nantogma S, Eriksson SL, Adelabu I, Mandzhieva I, Browning A, TomHon P, et al. Interplay of Near-Zero-Field Dephasing, Rephasing, and Relaxation Dynamics and [1-13C]Pyruvate Polarization Transfer Efficiency in Pulsed SABRE-SHEATH. The journal of physical chemistry A. 2022 Dec;126(48):9114–23.
Nantogma, Shiraz, et al. “Interplay of Near-Zero-Field Dephasing, Rephasing, and Relaxation Dynamics and [1-13C]Pyruvate Polarization Transfer Efficiency in Pulsed SABRE-SHEATH.The Journal of Physical Chemistry. A, vol. 126, no. 48, Dec. 2022, pp. 9114–23. Epmc, doi:10.1021/acs.jpca.2c07150.
Nantogma S, Eriksson SL, Adelabu I, Mandzhieva I, Browning A, TomHon P, Warren WS, Theis T, Goodson BM, Chekmenev EY. Interplay of Near-Zero-Field Dephasing, Rephasing, and Relaxation Dynamics and [1-13C]Pyruvate Polarization Transfer Efficiency in Pulsed SABRE-SHEATH. The journal of physical chemistry A. 2022 Dec;126(48):9114–9123.
Journal cover image

Published In

The journal of physical chemistry. A

DOI

EISSN

1520-5215

ISSN

1089-5639

Publication Date

December 2022

Volume

126

Issue

48

Start / End Page

9114 / 9123

Related Subject Headings

  • Pyruvic Acid
  • 5102 Atomic, molecular and optical physics
  • 3407 Theoretical and computational chemistry
  • 3406 Physical chemistry
  • 0307 Theoretical and Computational Chemistry
  • 0306 Physical Chemistry (incl. Structural)
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics