𝜈 | Molecule 1 : 1 Host | ||
Ka = | 3.60⋅104 | M-1 | |
Kd = | |||
logKa = | |||
T | 25.0 °C | ||
Energy | kJ mol-1 | kcal mol-1 | |||
---|---|---|---|---|---|
ΔG | = | -26.01 | -6.22 | ||
ΔH | = | -31.13 | -7.44 | ||
-TΔS | = | 5.15 | 1.23 | ||
J mol-1 K-1 | cal mol-1 K-1 | ||||
ΔS | = | -17.3 | -4.1 |
Detection Method: | Direct | ||
Assay Type: | Direct Binding Assay | ||
Technique: | Isothermal Titration Calorimetry | ||
Molecule: | syringe | ||
Partner: | syringe |
Solvent System | Buffer System | 50 mM phosphate pH-11.5 |
Solvents | water | |
Additives | Disodium phosph... | 28.6 mM |
Trisodium phosp... | 21.3 mM | |
Source of Concentration | ||
Total concentration | 50.0 mM | |
pH | 11.5 |
Citation: |
B. C. Gibb, M. R. Sullivan, W. Yao, SupraBank 2024, The thermodynamics of guest complexation to octa-acid and tetra-endo-methyl octa-acid: reference data for the sixth statistical assessment of modeling of proteins and ligands (SAMPL6) (dataset). https://doi.org/10.34804/supra.2021092837 |
Link: | https://doi.org/10.34804/supra.2021092837 |
Export: | BibTex | RIS | EndNote |
Citation: |
M. R. Sullivan, W. Yao, B. C. Gibb, Supramolecular Chemistry 2018, 31, 184–189. |
Link: | https://doi.org/10.1080/10610278.2018.1549327 |
Export: | BibTex | RIS | EndNote |
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,2-dimethyl-4-pentenoic acid (0.0005555555555555556 M) and Octa acid (0 — 0.0011111111111111111 M).