Interaction Scheme
Molecule
Sodium hydrosulfide hydrate
c = 0.0 — 2100.0 µM
Host
Bn12BU
c = 1000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 7.70⋅104 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 28.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -28.17 | -6.73 |
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 | ||
| = | 0.5 ppm | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | CD2Cl2 | 50.0 % |
| deuterated meth... | 50.0 % | |
Please find here information about the dataset this interaction is part of.
| Citation: |
V. Sindelar, J. Vázquez Gonzálvez, SupraBank 2024, Supramolecular binding and release of sulfide and hydrosulfide anions in water (dataset). https://doi.org/10.34804/supra.20210928364 |
| Link: | https://doi.org/10.34804/supra.20210928364 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J. Vázquez, V. Sindelar, Chem. Commun. 2018, 54, 5859–5862. |
| Link: | https://doi.org/10.1039/C8CC00470F |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium hydrosulfide hydrate (0.00025974025974025974 M) and Bn12BU (0 — 0.0005194805194805195 M).
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