Hyperpolarization of common antifungal agents with SABRE

Autor: Austin Browning, Patrick TomHon, Evan Akeroyd, Thomas Theis, Eduard Y. Chekmenev, Sören Lehmkuhl, Keilian MacCulloch
Rok vydání: 2021
Předmět:
Zdroj: Magn Reson Chem
ISSN: 1097-458X
0749-1581
DOI: 10.1002/mrc.5187
Popis: Signal amplification by reversible exchange (SABRE) is a robust and inexpensive hyperpolarization (HP) technique to enhance nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) signals using parahydrogen (pH(2)). The substrate scope of SABRE is continually expanding. Here, we present the polarization of three antifungal drugs (voriconazole, clotrimazole and fluconazole) and elicit the detailed HP mechanisms for (1)H and (15)N nuclei. In this exploratory work, (15)N polarization values of ~1% were achieved using 50% pH(2) in solution of 3 mM catalyst and 60 mM substrate in perdeuterated methanol. All hyperpolarized (15)N sites exhibited long T(1) in excess of 1 minute at a clinically relevant field of 1 T. Hyperpolarizing common drugs is of interest due to their potential biomedical applications as MRI contrast agents or to enable studies on protein dynamics at physiological concentrations. We optimize the polarization with respect to temperature and the polarization transfer field (PTF) for (1)H nuclei in the millitesla regime and for (15)N nuclei in the microtesla regime, which provides detailed insights into exchange kinetics and spin evolution. This work broadens the SABRE substrate scope and provides mechanistic and kinetic insights into the HP process.
Databáze: OpenAIRE
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