Interaction Scheme
Molecule
Sodium thiocyanate
c = 0.0 — 72900.0 µM
Host
Octa acid
c = 1000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 44.0 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -9.38 | -2.24 | ||
| ΔH | = | -35.6 | -8.51 | ||
| -TΔS | = | 26.23 | 6.27 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -88.0 | -21.0 | ||
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 | 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 |
Please find here information about the dataset this interaction is part of.
| Citation: |
B. C. Gibb, P. Sokkalingam, J. Shraberg, S. W. Rick, SupraBank 2025, Binding Hydrated Anions with Hydrophobic Pockets (dataset). https://doi.org/10.34804/supra.20210928139 |
| Link: | https://doi.org/10.34804/supra.20210928139 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
P. Sokkalingam, J. Shraberg, S. W. Rick, B. C. Gibb, J. Am. Chem. Soc. 2015, 138, 48–51. |
| Link: | https://doi.org/10.1021/jacs.5b10937 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium thiocyanate (0.45454545454545453 M) and Octa acid (0 — 0.9090909090909091 M).
Please sign in: customize the simulation by signing in to the SupraBank.
