High-accuracy liquid-sample <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e101" altimg="si42.svg"><mml:mi>β</mml:mi></mml:math>-NMR setup at ISOLDE

Croese, J.; Baranowski, Mikołaj; Bissell, M. L.; Dziubinska-Kühn, Katarzyna; Gins, W.; Harding, R. D.; Jolivet, Renaud; Kanellakopoulos, A.; Karg, Beatrice; Kulesz, Karolina; Flores, Miguel Madurga; Neyens, G.; Pallada, S.; Pietrzyk, R.; Pomorski, M.; Wagenknecht, Paul S.; Zákoucký, D.; Kowalska, Magdalena

doi:10.1016/j.nima.2021.165862

“…Some progress to this end has been made recently, [12] with 8 Li β-NMR being used to study the glassy phase of polymers, [20][21][22][23] small molecules, [24] and room temperature ionic liquids (RTILs). [25] Similarly, several groups have now implemented setups capable of measurements in liquids, [16,[26][27][28][29][30][31] greatly expanding the scope of possible experiments. [32] Our primary interest here is applying 31 Mg β-NMR to study Mg II complexation in solution.…”

Section: Introductionmentioning

confidence: 99%

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

McFadden

¹

,

Szunyogh

²

,

Bravo-Frank

³

et al. 2022

View full text Add to dashboard Cite

The complexation of Mg II 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 31 Mg to study Mg II -ATP complexation in 1-ethyl-3methylimidazolium acetate (EMIM-Ac) solutions using β-radiation-detected nuclear magnetic resonance (β-NMR). We demonstrate that (nuclear) spin-polarized 31 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 31 Mg initially bind to the solvent acetate anions, whereafter they undergo dynamic exchange and form either a mono-( 31 Mg-ATP) or di-nuclear ( 31 MgMg-ATP) complex. The chemical shift of 31 Mg-ATP is observed up-field of 31 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.

show abstract

“…Some progress to this end has been made recently, [12] with 8 Li β-NMR being used to study the glassy phase of polymers, [20][21][22][23] small molecules, [24] and room temperature ionic liquids (RTILs). [25] Similarly, several groups have now implemented setups capable of measurements in liquids, [16,[26][27][28][29][30][31] greatly expanding the scope of possible experiments. [32] Our primary interest here is applying 31 Mg β-NMR to study Mg II complexation in solution.…”

Section: Introductionmentioning

confidence: 99%

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

McFadden

¹

,

Szunyogh

²

,

Bravo-Frank

³

et al. 2022

View full text Add to dashboard Cite

The complexation of Mg II 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 31 Mg to study Mg II -ATP complexation in 1-ethyl-3methylimidazolium acetate (EMIM-Ac) solutions using β-radiation-detected nuclear magnetic resonance (β-NMR). We demonstrate that (nuclear) spin-polarized 31 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 31 Mg initially bind to the solvent acetate anions, whereafter they undergo dynamic exchange and form either a mono-( 31 Mg-ATP) or di-nuclear ( 31 MgMg-ATP) complex. The chemical shift of 31 Mg-ATP is observed up-field of 31 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.

show abstract

High-resolution β-NMR of short-lived spin-1/2 nucleus 17N implanted into water

Mihara

¹

,

Otani

²

,

Kimura

³

et al. 2021

View full text Add to dashboard Cite

Nuclear magnetic resonance (NMR) spectrum of the short-lived nucleus 17 N (I = 1/2, T 1/2 = 4.17s) in liquid water was measured by means of the β-NMR technique to clarify the chemical species formed by nitrogen ions injected into water. We have improved the spectral resolution to 5ppm in the full width at half maximum which is about 1/40 times compared to the previous study. The shape of the obtained spectrum indicated that it may consist of multiple resonance lines rather than a single line. Some possibilities regarding the chemical states of nitrogen in water are discussed based on the present result. Keywords β-NMR • Nitrogen ion • H 2 O • Spin-spin coupling This article is part of the Topical Collection on

show abstract

High-accuracy liquid-sample β-NMR setup at ISOLDE

Cited by 4 publications

References 33 publications

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

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

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

High-resolution β-NMR of short-lived spin-1/2 nucleus 17N implanted into water

Contact Info

Product

Resources

About

High-accuracy liquid-sample β-NMR setup at ISOLDE

Cited by 4 publications

References 33 publications

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

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

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

High-resolution β-NMR of short-lived spin-1/2 nucleus 17N implanted into water

Contact Info

Product

Resources

About

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

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

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