Microtesla Signal Amplification by Reversible Exchange Enables Simultaneous over 5% Polarization of 77Se and 15N at Natural Abundance in a Selenium–Nitrogen Heterocycle

Microtesla Signal Amplification by Reversible Exchange Enables Simultaneous over 5% Polarization of 77Se and 15N at Natural Abundance in a Selenium–Nitrogen Heterocycle Full article

Journal

Journal of the American Chemical Society
ISSN: 0002-7863

Output data

Year: 2025, Volume: 147, Number: 26, Pages: 23113–23119 Pages count : DOI: 10.1021/jacs.5c06450

Authors

Kiryutin Alexey S. ¹ , Markelov Danil A. ¹ , Matsulevich Zhanna V. ² , Kosenko Irina D. ³ , Kireev Nikolay V. ³ , Godovikov Ivan A. ³ , Yurkovskaya Alexandra V. ¹

Affiliations

1	International Tomography Center, Siberian Branch of the Russian Academy of Science, Institutskaya 3A
2	Nizhni Novgorod State Technical University, Minina 24, NizhniNovgorod 603155, Russia
3	Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Science, Vavilova 28/1, Moscow 119334, Russia

Signal amplification by reversible exchange (SABRE) increases NMR sensitivity through polarization transfer from parahydrogen, offering a cost-effective alternative to dissolution dynamic nuclear polarization (d-DNP). For the first time, this study demonstrates nuclear spin hyperpolarization of 77Se nuclei by SABRE, achieved for a biologically important selenium–nitrogen heterocycle, 3-methyl-[1,2,4]-selenadiazolo-[4,5-a]-pyridine-4-ium chloride (SDAP), via polarization transfer at mictrotesla magnetic fields. Under microtesla SABRE conditions, polarization transfer on both 77Se and 15N nuclei is achieved simultaneously, leading to the formation of multinuclear hyperpolarization within the time scale of several seconds. The resulting NMR signal enhancements achieved are 12,000-fold and 17,000-fold at a magnetic field of 9.4 T for 77Se and 15N, respectively, corresponding to over 5% polarization for each nucleus. This enables fast single-scan detection at micromolar concentrations by heteronuclear NMR. Our work overcomes the sensitivity limitations of 15N and 77Se NMR spectroscopy and provides new opportunities for studying selenium-containing compounds in organic synthesis and biological systems

Kiryutin A.S. , Markelov D.A. , Matsulevich Z.V. , Kosenko I.D. , Kireev N.V. , Godovikov I.A. , Yurkovskaya A.V.
Microtesla Signal Amplification by Reversible Exchange Enables Simultaneous over 5% Polarization of 77Se and 15N at Natural Abundance in a Selenium–Nitrogen Heterocycle
Journal of the American Chemical Society. 2025. V.147. N26. P.23113–23119. DOI: 10.1021/jacs.5c06450 WOS OpenAlex

Submitted:	Apr 16, 2025
Accepted:	Jun 9, 2025
Published online:	Jun 16, 2025
Published print:	Jul 2, 2025

Web of science:	WOS:001510240200001
OpenAlex:	W4411333103

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