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Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by 31Mg β‐Radiation‐Detected NMR Spectroscopy

McFadden, Ryan M. L. and Szunyogh, Dániel and Bravo-Frank, Nicholas and Chatzichristos, Aris and Dehn, Martin H. and Fujimoto, Derek and Jancsó, Attila and Johannsen, Silke and Kálomista, Ildikó and Karner, Victoria L. and Kiefl, Robert F. and Larsen, Flemming H. and Lassen, Jens and Levy, C. D. Philip and Li, Ruohong and McKenzie, Iain and McPhee, Hannah and Morris, Gerald D. and Pearson, Matthew R. and Sauer, Stephan P. A. and Sigel, Roland K. O. and Thulstrup, Peter W. and MacFarlane, W. Andrew and Hemmingsen, Lars and Stachura, Monika (2022) Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by 31Mg β‐Radiation‐Detected NMR Spectroscopy. ANGEWANDTE CHEMIE - INTERNATIONAL EDITION, 61 (35). No.-202207137. ISSN 1433-7851 (print); 1521-3773 (online)

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Abstract

The complexation of MgII with adenosine 5’-triphosphate (ATP) is omnipresent in biochemical energy conversion, but is difficult to interrogate directly. Here we use the spin-1 =2 β-emitter 31Mg to study MgII-ATP complexation in 1-ethyl-3-methylimidazolium acetate (EMIM-Ac) solutions using β-radiation-detected nuclear magnetic resonance (β-NMR). We demonstrate that (nuclear) spin-polarized 31Mg, following ion-implantation from an accelerator beamline into EMIM-Ac, binds to ATP within its radioactive lifetime before depolarizing. The evolution of the spectra with solute concentration indicates that the implanted 31Mg initially bind to the solvent acetate anions, whereafter they undergo dynamic exchange and form either a mono- (31Mg-ATP) or di-nuclear (31MgMg-ATP) complex. The chemical shift of 31Mg-ATP is observed up-field of 31MgMg-ATP, in accord with quantum chemical calculations. These observations constitute a crucial advance towards using β-NMR to probe chemistry and biochemistry in solution.

Item Type: Article
Uncontrolled Keywords: Coordination Modes, Ionic Liquids, Magnesium, NMR Spectroscopy, Nucleosides, Radiochemistry
Subjects: Q Science / természettudomány > QD Chemistry / kémia
SWORD Depositor: MTMT SWORD
Depositing User: MTMT SWORD
Date Deposited: 24 May 2024 15:08
Last Modified: 24 May 2024 15:08
URI: https://real.mtak.hu/id/eprint/195622

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