Interaction Scheme
Molecule
Barium chloride
c = 0.0 — 1490.0 µM
Host
CB7
c = 505.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 6.03⋅104 | ± 1.40⋅104 | M-1 |
| Kd = | 17 | ± 4 | µM |
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -27.28 | ± 0.59 | -6.52 | ± 0.14 |
| ΔH | = | -16.0 | ± 1.0 | -3.82 | ± 0.24 |
| -TΔS | = | -11.2 | ± 1.0 | -2.68 | ± 0.24 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 37.6 | ± 3.4 | 9.0 | ± 0.8 |
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 | 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 2025, 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 (0.0003319226620197494 M) and CB7 (0 — 0.0006638453240394988 M).
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