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"Direct" 13 C Hyperpolarization of 13 C-Acetate by MicroTesla NMR Signal Amplification by Reversible Exchange (SABRE).

Publication ,  Journal Article
Gemeinhardt, ME; Limbach, MN; Gebhardt, TR; Eriksson, CW; Eriksson, SL; Lindale, JR; Goodson, EA; Warren, WS; Chekmenev, EY; Goodson, BM
Published in: Angewandte Chemie (International ed. in English)
January 2020

Herein, we demonstrate "direct" 13 C hyperpolarization of 13 C-acetate via signal amplification by reversible exchange (SABRE). The standard SABRE homogeneous catalyst [Ir-IMes; [IrCl(COD)(IMes)], (IMes=1,3-bis(2,4,6-trimethylphenyl), imidazole-2-ylidene; COD=cyclooctadiene)] was first activated in the presence of an auxiliary substrate (pyridine) in alcohol. Following addition of sodium 1-13 C-acetate, parahydrogen bubbling within a microtesla magnetic field (i.e. under conditions of SABRE in shield enables alignment transfer to heteronuclei, SABRE-SHEATH) resulted in positive enhancements of up to ≈100-fold in the 13 C NMR signal compared to thermal equilibrium at 9.4 T. The present results are consistent with a mechanism of "direct" transfer of spin order from parahydrogen to 13 C spins of acetate weakly bound to the catalyst, under conditions of fast exchange with respect to the 13 C acetate resonance, but we find that relaxation dynamics at microtesla fields alter the optimal matching from the traditional SABRE-SHEATH picture. Further development of this approach could lead to new ways to rapidly, cheaply, and simply hyperpolarize a broad range of substrates (e.g. metabolites with carboxyl groups) for various applications, including biomedical NMR and MRI of cellular and in vivo metabolism.

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Published In

Angewandte Chemie (International ed. in English)

DOI

EISSN

1521-3773

ISSN

1433-7851

Publication Date

January 2020

Volume

59

Issue

1

Start / End Page

418 / 423

Related Subject Headings

  • Organic Chemistry
  • 34 Chemical sciences
  • 03 Chemical Sciences
 

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Gemeinhardt, M. E., Limbach, M. N., Gebhardt, T. R., Eriksson, C. W., Eriksson, S. L., Lindale, J. R., … Goodson, B. M. (2020). "Direct" 13 C Hyperpolarization of 13 C-Acetate by MicroTesla NMR Signal Amplification by Reversible Exchange (SABRE). Angewandte Chemie (International Ed. in English), 59(1), 418–423. https://doi.org/10.1002/anie.201910506
Gemeinhardt, Max E., Miranda N. Limbach, Thomas R. Gebhardt, Clark W. Eriksson, Shannon L. Eriksson, Jacob R. Lindale, Elysia A. Goodson, Warren S. Warren, Eduard Y. Chekmenev, and Boyd M. Goodson. “"Direct" 13 C Hyperpolarization of 13 C-Acetate by MicroTesla NMR Signal Amplification by Reversible Exchange (SABRE).Angewandte Chemie (International Ed. in English) 59, no. 1 (January 2020): 418–23. https://doi.org/10.1002/anie.201910506.
Gemeinhardt ME, Limbach MN, Gebhardt TR, Eriksson CW, Eriksson SL, Lindale JR, et al. "Direct" 13 C Hyperpolarization of 13 C-Acetate by MicroTesla NMR Signal Amplification by Reversible Exchange (SABRE). Angewandte Chemie (International ed in English). 2020 Jan;59(1):418–23.
Gemeinhardt, Max E., et al. “"Direct" 13 C Hyperpolarization of 13 C-Acetate by MicroTesla NMR Signal Amplification by Reversible Exchange (SABRE).Angewandte Chemie (International Ed. in English), vol. 59, no. 1, Jan. 2020, pp. 418–23. Epmc, doi:10.1002/anie.201910506.
Gemeinhardt ME, Limbach MN, Gebhardt TR, Eriksson CW, Eriksson SL, Lindale JR, Goodson EA, Warren WS, Chekmenev EY, Goodson BM. "Direct" 13 C Hyperpolarization of 13 C-Acetate by MicroTesla NMR Signal Amplification by Reversible Exchange (SABRE). Angewandte Chemie (International ed in English). 2020 Jan;59(1):418–423.
Journal cover image

Published In

Angewandte Chemie (International ed. in English)

DOI

EISSN

1521-3773

ISSN

1433-7851

Publication Date

January 2020

Volume

59

Issue

1

Start / End Page

418 / 423

Related Subject Headings

  • Organic Chemistry
  • 34 Chemical sciences
  • 03 Chemical Sciences