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Excel file enabling computation of transformed reference chemical potentials. This is an excel file with two sheets. The first and most important of these is a computation facility calculating the transformed chemical potentials of more than 360 compounds of biochemical interest and 1200 forms thereof. This sheet uses the second sheet as the work horse of the computations. The magnitudes of various transformed reference potentials are listed in the file https://fairdomhub.org/data_files/9798, ...
Creators: Hans V. Westerhoff, Johann Rohwer, Peter J. Halling, Carsten Kettner, Yanhua Liu. HVW collected physical chemical reference potentials from the literature and developed and carried out all transformations thereto writing an excel file. YL checked the values obtained from the literature. PJH and HVW developed the CNPS gauge shifts. PJH checked the methodology used as well as the naming of the compounds. JR developed a Python program to compute the transformed reference potentials and thereby checked the values obtained by HVW. (A limited number of errors was identified and eliminated in this manner).
Submitter: Hans V. Westerhoff
12 variously transformed reference potentials for 320 compounds of biochemical interest in unit kJ/mol.
Approximately 1360 of each type of transform are listed in columns 3 - 14. The number 1360 > 320 because a chemical compound often has multiple entries. This reflects that there are multiple data sources, phases, protonation states or Mg complexation states for that compound.
Column 2 contains the familiar reference (standard at the physical chemical reference state) physical chemical ...
Creators: Hans V. Westerhoff, Peter J. Halling, Johann Rohwer, Carsten Kettner, Yanhua Liu, Yanhua Liu, HVW collected physical chemical reference potentials from the literature and developed and carried out all transformations thereto writing an excel file. YL checked the values obtained from the literature. PJH and HVW developed the CNPS gauge shifts. PJH checked the methodology used as well as the naming of the compounds. JR developed a Python program to compute the transformed reference potentials and thereby checked the values obtained by HVW. (A limited number of errors was identified and eliminated in this manner).
Submitter: Hans V. Westerhoff
The raw data fror our study of optimal biological thermodynamics consist of the names, the phase, the physical chemical molar Gibbs energies of formation and the enthalpies of formation (both in kJ/mol; for Temperature 298.15 K and pressure 1 bar), reported in multiple Tables in the literature, as well as the atomic composition, the electric charge and the phase of the chemical compound. The latter were inferred by looking up the structure of each compound in the literature. These raw data were ...
Creators: Hans V. Westerhoff, Johann Rohwer, Peter J. Halling, Carsten Kettner, Yanhua Liu
Submitter: Hans V. Westerhoff
A Table of the standard metabolic potentials of over a thousand species and blends thereof, of biochemical importance, at two temperatures and 3 pHs. The Table is supplement S3 (Table 2) of _Westerhoff et al (2026) FEBS J. Metabolic thermodynamics: pertinent reference state and energy potentials. In that paper it is described how the metabolic potentials have been calculated from the standard chemical potentials of the corresponding chemical species.
These standard metabolic potentials are the ...
Creator: Hans V. Westerhoff
Submitter: Hans V. Westerhoff
For more than a thousand chemical species of biological interest the table gives standard chemical, standard apparent chemical, and standard metabolic potentials:
- Standard chemical potentials: extracted from various literature references (data sources indicated below the Table)
- Standard apparent chemical potentials as the above standard chemical potentials but further transformed for H+ and ionic strength; for Alberty conditions (pH=7.14, pMg=3.57, I=0.25 M Osm=0 M) and for new biochemical ...
Creator: Hans V. Westerhoff
Submitter: Hans V. Westerhoff
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