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McFadden, Ryan M. L.; Szunyogh, Dániel; Bravo‐Frank, Nicholas; Chatzichristos, Aris; Dehn, Martin H.; Fujimoto, Derek; Jancsó, Attila; Johannsen, Silke; Kálomista, Ildikó; Karner, Victoria L.; Kiefl, Robert F.; Larsen, Flemming H.; Lassen, Jens; Levy, C. D. Philip; Li, Ruohong; McKenzie, Iain; McPhee, Hannah; Morris, Gerald D.; Pearson, Matthew R.; Sauer, Stephan P. A.; Sigel, Roland K. O.; Thulstrup, Peter W.; MacFarlane, W. Andrew; Hemmingsen, Lars;

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

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  • Media type: E-Article
  • Title: Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by 31Mg β‐Radiation‐Detected NMR Spectroscopy
  • Contributor: McFadden, Ryan M. L.; Szunyogh, Dániel; Bravo‐Frank, Nicholas; Chatzichristos, Aris; Dehn, Martin H.; Fujimoto, Derek; Jancsó, Attila; Johannsen, Silke; Kálomista, Ildikó; Karner, Victoria L.; Kiefl, Robert F.; Larsen, Flemming H.; Lassen, Jens; Levy, C. D. Philip; Li, Ruohong; McKenzie, Iain; McPhee, Hannah; Morris, Gerald D.; Pearson, Matthew R.; Sauer, Stephan P. A.; Sigel, Roland K. O.; Thulstrup, Peter W.; MacFarlane, W. Andrew; Hemmingsen, Lars;
  • imprint: Wiley, 2022
  • Published in: Angewandte Chemie, 134 (2022) 35
  • Language: English
  • DOI: 10.1002/ange.202207137
  • ISSN: 0044-8249; 1521-3757
  • Keywords: General Medicine
  • Origination:
  • Footnote:
  • Description: <jats:title>Abstract</jats:title><jats:p>The complexation of Mg<jats:sup>II</jats:sup> with adenosine 5′‐triphosphate (ATP) is omnipresent in biochemical energy conversion, but is difficult to interrogate directly. Here we use the spin‐<jats:inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="graphic/ange202207137-math-0001.png" xlink:title="urn:x-wiley:00448249:media:ange202207137:ange202207137-math-0001" /> β‐emitter <jats:sup>31</jats:sup>Mg to study Mg<jats:sup>II</jats:sup>‐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 <jats:sup>31</jats:sup>Mg, 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 <jats:sup>31</jats:sup>Mg initially bind to the solvent acetate anions, whereafter they undergo dynamic exchange and form either a mono‐ (<jats:sup>31</jats:sup>Mg‐ATP) or di‐nuclear (<jats:sup>31</jats:sup>MgMg‐ATP) complex. The chemical shift of <jats:sup>31</jats:sup>Mg‐ATP is observed up‐field of <jats:sup>31</jats:sup>MgMg‐ATP, in accord with quantum chemical calculations. These observations constitute a crucial advance towards using β‐NMR to probe chemistry and biochemistry in solution.</jats:p>