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Published June 8, 2023 | Version 1
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How does Mg2+(aq.) interact with ATP(aq.)? Observations through the lens of liquid-jet photoelectron spectroscopy

Authors/Creators

  • 1. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany
  • 2. Department of Chemistry, University of California, Berkeley, CA 94720, USA; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA
  • 3. Department of Physical Chemistry, University of Chemistry and Technology, Technická 5, Prague 6 16628, Czech Republic
  • 4. Department of Chemistry, University of Department of Chemistry, University of California, Berkeley, CA 94720, USA; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA
  • 5. Department of Chemistry, University of Southern California, Los Angeles, CA 90089, USA

Description

Data set pertaining to the study "How does Mg2+(aq.) interact with ATP(aq.)? Observations through the lens of liquid-jet photoelectron spectroscopy".

Files with extension .dat are comma-separated ascii-files.


The following files are provided:

Numeric representations of the traces shown in the article's figures.
Figure Format Data Trace Filename
Fig. 2 EB (eV),Intensity (arb. u.) Mg2+/ATP 0.25/1 Figure2_0.25_1_ratio.dat
    Mg2+/ATP 0.5/1 Figure2_0.5_1_ratio.dat
    Mg2+/ATP 0.75/1 Figure2_0.75_1_ratio.dat
    Mg2+/ATP 1/1 Figure2_1_1_ratio.dat
    Mg2+/ATP 1.5/1 Figure2_1.5_1_ratio.dat
    ATP(aq) Figure2_ATP.dat
Fig. 4a Mg2+/ATP ratio,Mg 2p shift wrt to 0.25:1 data Mg 2p peak max. Figure4a_Mg2p.dat
  Mg2+/ATP ratio,Mg 2s shift wrt to 0.25:1 data Mg 2s peak max. Figure4a_Mg2s.dat
  Mg2+/ATP ratio,P 2p shift wrt ATP (138.9 eV) P 2p peak max. Figure4a_P2p.dat
  Mg2+/ATP ratio,P 2s shift wrt ATP (196.3 eV) P 2s peak max. Figure4a_P2s.dat
Fig. 4b Mg2+/ATP ratio,ATP4- concentration ATP4-(aq) Figure4b_ATP.dat 
  Mg2+/ATP ratio,[MgATP]2- concentration [MgATP]2-(aq) Figure4b_MgATP.dat
  Mg2+/ATP ratio,Mg2ATP concentration Mg2ATP(aq) Figure4b_Mg2ATP.dat 
Fig. 5, S6 EB (eV),Intensity (arb. u.) 0.5 M ATP(aq) Figure5_ATP.dat
    0.5 M ADP(aq) Figure5_ADP.dat
    0.5 M AMP(aq) Figure5_AMP.dat
Fig. 7, S7 Kinetic energy (eV),Intensity (arb. u.) 0.5 M Mg(NO3)2 Figure6_Mg2+_only.dat
    1:1 Mg2+/ATP Figure6_1_1_ratio.dat
    1.5:1 Mg2+/ATP Figure6_1.5_1_ratio.dat
Fig. S2 EB (eV),Intensity (arb. u.) Tris(aq) + Mg(aq) FigureS2_Tris_with_Mg2+.dat
    Tris(aq) FigureS2_Tris.dat
Fig. S4 EB (eV),Intensity (arb. u.) Mg2+/ADP 0.25:1 FigureS4_0.25_1_ratio.dat 
    Mg2+/ADP 0.5:1 FigureS4_0.5_1_ratio.dat 
    Mg2+/ADP 0.75:1 FigureS4_0.75_1_ratio.dat 
    Mg2+/ADP 1:1 FigureS4_1_1_ratio.dat 
    Mg2+/ADP 1.5:1 FigureS4_1.5_1_ratio.dat 
    0.5 M ADP only FigureS4_ADP_ratio.dat 

 

Valence spectra used for binding energy calibration of P 2s data (Fig. 5)
Data trace Format Filename
0.5 M ATP(aq) EB (eV),Intensity (arb. u.) Data_to_calibrate_ATP_P2s_BE.dat
0.5 M ADP(aq)   Data_to_calibrate_ADP_P2s_BE.dat
0.5 M AMP(aq)   Data_to_calibrate_AMP_P2s_BE.dat

 

Notes

Funding acknowledgements: C.L. was supported by the Director of the Office of Basic Energy Science, Chemical Sciences Division of the US Department of Energy under contract number DE-AC02-05CH11231 and the Alexander von Humboldt Foundation. L.T. and P.S. acknowledge the support of the Czech Science Foundation, project number 21-26601X (EXPRO project). S. B. acknowledges NSF CHE-0617060 for early phases of this work and NSF CHE-1665532 for travel support in finalizing the work. B. W. acknowledges funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and investigation programme (grant agreement No. 883759). The authors would like to thank Robert Seidel, Christi Schroeder, Anne B. Stephansen, Claudia Kolbeck, Marvin Pohl, Iain Wilkinson and Gerard Meijer for their support along different stages of the project and during initial experiments at BESSY II.

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Additional details

Related works

Is cited by
Preprint: arXiv:2306.05352 (arXiv)

Funding

European Commission
AQUACHIRAL - Chiral aqueous-phase chemistry 883759