Quantifying the effects of quadrupolar sinks via15N relaxation dynamics in metronidazoles hyperpolarized via SABRE-SHEATH

Jonathan R. Birchall; Mohammad S. H. Kabir; Oleg G. Salnikov; Nikita V. Chukanov; Alexandra Svyatova; Kirill V. Kovtunov; Igor V. Koptyug; Juri G. Gelovani; Boyd M. Goodson; Wellington Pham; Eduard Y. Chekmenev

doi:10.1039/D0CC03994B

Quantifying the effects of quadrupolar sinks via¹⁵N relaxation dynamics in metronidazoles hyperpolarized via SABRE-SHEATH†‡

Jonathan R. Birchall,

^a Mohammad S. H. Kabir,

^a Oleg G. Salnikov,

^bcd Nikita V. Chukanov,

^bc Alexandra Svyatova,^bc Kirill V. Kovtunov,

^bc Igor V. Koptyug,

^bc Juri G. Gelovani,^ae Boyd M. Goodson,

^f Wellington Pham^g and Eduard Y. Chekmenev

*^ah

Author affiliations

* Corresponding authors

^a Department of Chemistry, Integrative Biosciences (Ibio), Wayne State University, Karmanos Cancer Institute (KCI), Detroit, Michigan 48202, USA
E-mail: chekmenevlab@gmail.com

^b International Tomography Center SB RAS, 3A Institutskaya St., Novosibirsk 630090, Russia

^c Novosibirsk State University, 2 Pirogova St., Novosibirsk 630090, Russia

^d Boreskov Institute of Catalysis SB RAS, 5 Acad. Lavrentiev Pr., Novosibirsk 630090, Russia

^e United Arab Emirates University, Al Ain, United Arab Emirates

^f Department of Chemistry and Biochemistry and Materials Technology Center, Southern Illinois University, Carbondale, Illinois 62901, USA

^g Vanderbilt University Institute of Imaging Science (VUIIS), Department of Radiology, Vanderbilt University Medical Center (VUMC), Department of Biomedical Engineering, Vanderbilt University, Vanderbilt-Ingram Cancer Center (VICC), Nashville, Tennessee 37232-2310, USA

^h Russian Academy of Sciences, Leninskiy Prospekt 14, Moscow, Russia

Abstract

¹⁵N spin–lattice relaxation dynamics in metronidazole-¹⁵N₃ and metronidazole-¹⁵N₂ isotopologues are studied for rational design of ¹⁵N-enriched biomolecules for signal amplification by reversible exchange in microtesla fields. ¹⁵N relaxation dynamics mapping reveals the deleterious effects of interactions with the polarization transfer catalyst and a quadrupolar ¹⁴N nucleus within the spin-relayed ¹⁵N–¹⁵N network.

Chemical Communications

Quantifying the effects of quadrupolar sinks via¹⁵N relaxation dynamics in metronidazoles hyperpolarized via SABRE-SHEATH†‡

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Quantifying the effects of quadrupolar sinks via¹⁵N relaxation dynamics in metronidazoles hyperpolarized via SABRE-SHEATH

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