Interaction Scheme
Molecule
4-Bromobenzoic acid
c = 0.0 — 206.0 µM
Host
Octa acid
c = 150.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 5.63⋅105 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -32.82 | ± NaN | -7.84 | ± NaN |
| ΔH | = | -46.82 | -11.19 | ||
| -TΔS | = | 14.02 | 3.35 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -47.0 | -11.2 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | syringe | ||
Detailed information about the solvation.
| 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 |
Please find here information about the dataset this interaction is part of.
| Citation: |
C. L. D. Gibb, B. C. Gibb, E. E. Oertling, S. Velaga, SupraBank 2024, Thermodynamic Profiles of Salt Effects on a Host–Guest System: New Insight into the Hofmeister Effect (dataset). https://doi.org/10.34804/supra.20210928188 |
| Link: | https://doi.org/10.34804/supra.20210928188 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
C. L. D. Gibb, E. E. Oertling, S. Velaga, B. C. Gibb, J. Phys. Chem. B 2015, 119, 5624–5638. |
| Link: | https://doi.org/10.1021/acs.jpcb.5b01708 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 4-Bromobenzoic acid (3.552397868561279e-05 M) and Octa acid (0 — 7.104795737122558e-05 M).
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