Interaction Scheme
Molecule
Sodium thiocyanate
c = 0.0 — 246367.0 µM
Host
α-CD
c = 1000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 15.0 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -6.71 | -1.6 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM deuterated phosphate pD-11.3 |
| Solvents | Deuterium Oxide | |
| 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: |
M. R. Sullivan, B. Gibb, W. Yao, D. Tang, H. Ashbaugh, SupraBank 2024, The Thermodynamics of Anion Complexation to Nonpolar Pockets (dataset). https://doi.org/10.34804/supra.2021092842 |
| Link: | https://doi.org/10.34804/supra.2021092842 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. R. Sullivan, W. Yao, D. Tang, H. S. Ashbaugh, B. C. Gibb, J. Phys. Chem. B 2018, 122, 1702–1713. |
| Link: | https://doi.org/10.1021/acs.jpcb.7b12259 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium thiocyanate (1.3333333333333333 M) and α-CD (0 — 2.6666666666666665 M).
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