Interaction Scheme
Molecule
2,6-Dihydroxynaphthalene
Host
CB8
Cofactor
1,1'-bis(4-(ethoxycarbonyl)phenyl)-[4,4'-bipyri...
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 9.40⋅105 | ± 3.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -34.09 | ± 0.08 | -8.15 | ± 0.02 |
| ΔH | = | -44.6 | ± 0.4 | -10.66 | ± 0.1 |
| -TΔS | = | 10.5 | ± 0.8 | 2.51 | ± 0.19 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -35.2 | ± 2.7 | -8.4 | ± 0.6 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Associative Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | syringe | ||
| Cofactor: | 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: |
O. A. Scherman, F. Biedermann, SupraBank 2024, Cucurbit[8]uril Mediated Donor–Acceptor Ternary Complexes: A Model System for Studying Charge-Transfer Interactions (dataset). https://doi.org/10.34804/supra.2021092867 |
| Link: | https://doi.org/10.34804/supra.2021092867 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
F. Biedermann, O. A. Scherman, J. Phys. Chem. B 2012, 116, 2842–2849. |
| Link: | https://doi.org/10.1021/jp2110067 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,6-Dihydroxynaphthalene (2.1276595744680852e-05 M) and CB8 (0 — 4.2553191489361704e-05 M).
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