Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by 31Mg β‐Radiation‐Detected NMR Spectroscopy
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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.; 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; Stachura, Monika.
I: Angewandte Chemie International Edition, Bind 61, Nr. 35, e202207137, 26.08.2022.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by 31Mg β‐Radiation‐Detected NMR Spectroscopy
AU - Mcfadden, Ryan M. L.
AU - Szunyogh, Dániel
AU - Bravo-frank, Nicholas
AU - Chatzichristos, Aris
AU - Dehn, Martin H.
AU - Fujimoto, Derek
AU - Jancsó, Attila
AU - Johannsen, Silke
AU - Kálomista, Ildikó
AU - Karner, Victoria L.
AU - Kiefl, Robert F.
AU - Larsen, Flemming H.
AU - Lassen, Jens
AU - Levy, C. D. Philip
AU - Li, Ruohong
AU - Mckenzie, Iain
AU - Mcphee, Hannah
AU - Morris, Gerald D.
AU - Pearson, Matthew R.
AU - Sauer, Stephan P. A.
AU - Sigel, Roland K. O.
AU - Thulstrup, Peter W.
AU - Macfarlane, W. Andrew
AU - Hemmingsen, Lars
AU - Stachura, Monika
PY - 2022/8/26
Y1 - 2022/8/26
N2 - 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-urn:x-wiley:14337851:media:anie202207137:anie202207137-math-0001 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.
AB - 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-urn:x-wiley:14337851:media:anie202207137:anie202207137-math-0001 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.
U2 - 10.1002/anie.202207137
DO - 10.1002/anie.202207137
M3 - Journal article
C2 - 35718746
VL - 61
JO - Angewandte Chemie International Edition
JF - Angewandte Chemie International Edition
SN - 1433-7851
IS - 35
M1 - e202207137
ER -
ID: 312698439