Interaction Scheme
Molecule
Oxepane
c = 0.0 — 22500.0 µM
Host
syn-Amide Naphthotube
c = 500.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 376.0 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -14.7 | -3.51 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 2H | ||
| = | -0.018 ppm | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent |
Please find here information about the dataset this interaction is part of.
| Citation: |
H. Ke, W. Jiang, L. Yang, G. Huang, S. Wang, SupraBank 2024, Selective Recognition of Highly Hydrophilic Molecules in Water by Endo-Functionalized Molecular Tubes (dataset). https://doi.org/10.34804/supra.2021092868 |
| Link: | https://doi.org/10.34804/supra.2021092868 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
G.-B. Huang, S.-H. Wang, H. Ke, L.-P. Yang, W. Jiang, J. Am. Chem. Soc. 2016, 138, 14550–14553. |
| Link: | https://doi.org/10.1021/jacs.6b09472 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Oxepane (0.05319148936170213 M) and syn-Amide Naphthotube (0 — 0.10638297872340426 M).
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