Dataset
Data Publication
Database of in situ Raman spectra from Ca- and Mg-ATP solutions at 80 °C, 100 °C and 120 °C for determination of the rate constant of the ATP hydrolysis
Moeller, Christoph | Testemale, Denis | Schmidt, Christian | Kokh, Maria A. | Guyot, François | Wilke , Max
GFZ Data Services
(2025)
Descriptions
In biochemical systems, enzymes facilitate the endergonic reaction of adenosine diphosphate (ADP) to adenosine triphosphate (ATP) via pathways such as oxidative phosphorylation by mem-brane-bound ATP synthase or substrate-level phosphorylation. The energy stored in ATP is re-leased through enzymatic control of exergonic hydrolysis, which powers other essential ender-gonic reactions, thus earning ATP the name as the universal energy currency. The non-enzymatic hydrolysis of ATP to ADP in the absence of biological processes increases and counteracts this biological process. It is believed that this is a key factor in defining the operational limits of liv-ing organisms (Bains et al., 2015). The in-situ procedure developed by Moeller et al. (2022, 2024), which employs Raman spec-troscopy, has facilitated the exploration of the effects of pressure, temperature, and ionic com-position on the kinetics of ATP-ADP hydrolysis in an effective manner. Raman spectroscopy can be combined with a hydrothermal diamond anvil cell, thereby enabling measurements in an isochoric system at pressures up to 2000 MPa (Moeller et al., 2024). Another configuration for in-situ Raman spectroscopy at elevated pressures and temperatures employs an autoclave with optical high-pressure windows, as demonstrated by Louvel et al. (2015). This system is capable of operating at pressures up to 200 MPa, with independent control of pressure and temperature, allowing for isobaric temperature series to be conducted. In living organisms, ATP is activated by complexation with Mg2+. The objective of this study was to provide new kinetic data on ATP hy-drolysis and offer further insights into this key metabolite under extreme conditions, thus ex-tending the datasets of Moeller et al. ([dataset] 2024A, B). This data publication presents the complete set of Raman spectra obtained in situ for Na2H2ATP solutions with MgCl2, CaCl2, and NaCl at temperatures of 80 °C, 100 °C, and 120 °C under vapor saturation or at 20 MPa. The data were employed to ascertain the rate constants for ATP hydro-lysis to ADP across eight distinct chemical compositions. An elaborative thermodynamic model was used to mimic the chemical system at experimental conditions. The results are a compre-hensive database of ATP species concentrations at 80 °C, 100 °C, and 120 °C, which is provided herewith.
Keywords
MSL enriched keywords
measured property
magnesium
Technique
chemical and mineralogical analysis
Raman spectrometry - chemistry and mineralogy
crystal structure analysis
Raman spectrometry - crystal lattice
minerals
chemical elements
carbon
diamond
Apparatus
deformation testing
compression testing
diamond anvil cell
MSL vocabulary keywords corresponding to originally assigned keywords
magnesium
Originally assigned keywords
Magnesium
ATP
Adenosine triphosphate
Hydrolysis
Kinetics
Autoclave
HDAC
Raman spectroscopy
EARTH SCIENCE > OCEANS > OCEAN CHEMISTRY > PHOSPHATE
EARTH SCIENCE > SOLID EARTH > GEOCHEMISTRY > BIOGEOCHEMICAL PROCESSES > CHEMICAL DECOMPOSITION
EARTH SCIENCE > SOLID EARTH > GEOCHEMISTRY > BIOGEOCHEMICAL PROCESSES > HYDROLYSIS
EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > WATER QUALITY/WATER CHEMISTRY > PHOSPHOROUS COMPOUNDS
Metadata
MSL enriched sub domains
geochemistry
microscopy and tomography
rock and melt physics
Resource Type
Source
Source publisher
| GFZ Data Services |
Creators
| Moeller, Christoph |
| Personal |
| https://orcid.org/0000-0001-7824-8004 |
| Institute of Geosciences, University of Potsdam, Potsdam, Germany |
| Testemale, Denis |
| Personal |
| https://orcid.org/0000-0003-2204-5464 |
| Institut Néel, Université Grenobles Alpes, Genoble, France |
| Schmidt, Christian |
| Personal |
| https://orcid.org/0000-0003-1799-5684 |
| GFZ Helmholtz Centre for Geoscience, Potsdam, Germany |
| Kokh, Maria A. |
| Personal |
| https://orcid.org/0000-0002-0855-015X |
| Institute of Geosciences, University of Potsdam, Potsdam, Germany |
| Guyot, François |
| Personal |
| https://orcid.org/0000-0003-4622-2218 |
| IMPMC Muséum National d'Histoire Naturelle, Paris, France |
| Wilke , Max |
| Personal |
| https://orcid.org/0000-0002-1890-3940 |
| Institute of Geosciences, University of Potsdam, Potsdam, Germany |
Contributors
| Moeller, Christoph |
| Personal |
| https://orcid.org/0000-0001-7824-8004 |
| Institute of Geosciences, University of Potsdam, Potsdam, Germany |
| Moeller, Christoph |
| Personal |
| https://orcid.org/0000-0001-7824-8004 |
| Institute of Geosciences, University of Potsdam, Potsdam, Germany |
| Testemale, Denis |
| Personal |
| https://orcid.org/0000-0003-2204-5464 |
| Institut Néel, Université Grenobles Alpes, Genoble, France |
| Schmidt, Christian |
| Personal |
| https://orcid.org/0000-0003-1799-5684 |
| GFZ Helmholtz Centre for Geoscience, Potsdam, Germany |
| Kokh, Maria A. |
| Personal |
| https://orcid.org/0000-0002-0855-015X |
| Institute of Geosciences, University of Potsdam, Potsdam, Germany |
| Guyot, François |
| Personal |
| https://orcid.org/0000-0003-4622-2218 |
| IMPMC Muséum National d'Histoire Naturelle, Paris, France |
| Wilke, Max |
| Personal |
| https://orcid.org/0000-0002-1890-3940 |
| Institute of Geosciences, University of Potsdam, Potsdam, Germany |
| Laboratory of Fundamental Research in Condensed Matter Physics , (Néel Institute, Grenoble, France) |
| Organizational |
| Néel Institute, Grenoble, France |
| Hydrothermal Diamond-Anvil Cell Laboratory, (GFZ Helmholtz Centre for Geosciences, Potsdam, Germany) |
| Organizational |
| GFZ Helmholtz Centre for Geosciences, Potsdam, Germany |
| Moeller, Christoph |
| Personal |
| https://orcid.org/0000-0001-7824-8004 |
| Institute of Geosciences, University of Potsdam, Potsdam, Germany |
Citation
Moeller, C., Testemale, D., Schmidt, C., Kokh, M. A., Guyot, F., & Wilke, M. (2025). Database of in situ Raman spectra from Ca- and Mg-ATP solutions at 80 °C, 100 °C and 120 °C for determination of the rate constant of the ATP hydrolysis [Dataset]. GFZ Data Services. https://doi.org/10.5880/FIDGEO.2025.049
References
Dates
| Created | 2024-08-12 |
| Issued | 2025 |
Language
- no language entry found -
Rights
| Name | Creative Commons Attribution 4.0 International |
| URI | https://creativecommons.org/licenses/by/4.0/legalcode |
| Identifier | cc-by-4.0 |
| Identifier Scheme | SPDX |
| Scheme URI | https://spdx.org/licenses/ |
Locations
- no geo-locations found -