𝜈 | Molecule 1 : 1 Host | ||
Ka = | 535.0 | ± 7.0 | M-1 |
Kd = | |||
logKa = | |||
T | 25.0 °C | ||
Energy | kJ mol-1 | kcal mol-1 | |||
---|---|---|---|---|---|
ΔG | = | -15.57 | ± 0.03 | -3.72 | ± 0.01 |
ΔH | = | -41.68 | ± 0.45 | -9.96 | ± 0.11 |
-TΔS | = | 26.1 | ± 0.41 | 6.24 | ± 0.1 |
J mol-1 K-1 | cal mol-1 K-1 | ||||
ΔS | = | -87.5 | ± 1.4 | -20.9 | ± 0.3 |
Detection Method: | Direct | ||
Assay Type: | Direct Binding Assay | ||
Technique: | Isothermal Titration Calorimetry | ||
Molecule: | syringe | ||
Partner: | syringe |
Solvent System | Buffer System | 10 mM phosphate pH-11.3 |
Solvents | water | |
Additives | Disodium phosph... | 8.0 mM |
Trisodium phosp... | 2.0 mM | |
Source of Concentration | ||
Total concentration | 10.0 mM | |
pH | 11.3 |
Citation: |
M. R. Sullivan, P. Sokkalingam, T. Nguyen, J. P. Donahue, B. Gibb, SupraBank 2024, Binding of carboxylate and trimethylammonium salts to octa-acid and TEMOA deep-cavity cavitands (dataset). https://doi.org/10.34804/supra.2021092829 |
Link: | https://doi.org/10.34804/supra.2021092829 |
Export: | BibTex | RIS | EndNote |
Citation: |
M. R. Sullivan, P. Sokkalingam, T. Nguyen, J. P. Donahue, B. C. Gibb, J Comput Aided Mol Des 2016, 31, 21–28. |
Link: | https://doi.org/10.1007/s10822-016-9925-0 |
Export: | BibTex | RIS | EndNote | |
The plot depicts the binding isotherm simulation of a 1:1 interaction of Phenethyltrimethylammonium chloride (0.037383177570093455 M) and Octa acid (0 — 0.07476635514018691 M).