Interaction Scheme
Molecule
Sodium bromide
c = 0.0 — 5455.0 µM
Host
TMAX-Cl
c = 400.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1860.0 | ± 237.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -18.66 | ± 0.32 | -4.46 | ± 0.08 |
- Comment
- Ka was determined using the competitive model against Cl counterion of host.
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | H-1 | ||
| = | 7.49 ppm | ||
| = | 7.5561 ppm | ||
| = | 0.07 ppm | ||
| δbound⁄δfree | = | 1.01 | |
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Deuterium Oxide |
Please find here information about the dataset this interaction is part of.
| Citation: |
B. C. Gibb, H. Ashbaugh, J. Jordan, J. T. Mague, SupraBank 2024, Buffer and Salt Effects in Aqueous Host–Guest Systems: Screening, Competitive Binding, or Both? (dataset). https://doi.org/10.34804/supra.20220422428 |
| Link: | https://doi.org/10.34804/supra.20220422428 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J. H. Jordan, H. S. Ashbaugh, J. T. Mague, B. C. Gibb, J. Am. Chem. Soc. 2021, 143, 18605–18616. |
| Link: | https://doi.org/10.1021/jacs.1c08457 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium bromide (0.010752688172043012 M) and TMAX-Cl (0 — 0.021505376344086023 M).
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