Interaction Scheme
Molecule
Barium chloride
c = 0.0 — 7000.0 µM
Host
CB8
c = 15.0 µM
Indicator
PDI-Bis(Et-Me2N-Et-OH)
c = 15.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 8912.51 | ± 2070.36 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -22.55 | ± 0.59 | -5.39 | ± 0.14 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Competitive | |||
| Assay Type: | Competitive Binding Assay | |||
| Technique: | Absorbance | |||
| 𝛌abs | = | 500.0 nm | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
L. Biczok, S. Zhang, L. M. Grimm, Z. Miskolczy, F. Biedermann, W. Nau, SupraBank 2026, Binding affinities of cucurbit[n]urils with cations (dataset). https://doi.org/10.34804/supra.2021092849 |
| Link: | https://doi.org/10.34804/supra.2021092849 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
S. Zhang, L. Grimm, Z. Miskolczy, L. Biczók, F. Biedermann, W. M. Nau, Chem. Commun. 2019, 55, 14131–14134. |
| Link: | https://doi.org/10.1039/C9CC07687E |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Barium chloride (0.002244036752833938 M) and CB8 (0 — 0.004488073505667876 M).
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