Interaction Scheme
Molecule
1-Fluoroadamantane
c = 0.0 — 120000.0 µM
Host
tpMe-PE-MB
c = 1000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 600.0 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -15.86 | -3.79 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Dimethyl sulfoxide-d6 |
Please find here information about the dataset this interaction is part of.
| Citation: |
C. L. D. Gibb, B. C. Gibb, Z. R. Laughrey, T. Senechal, SupraBank 2024, Guest Binding and Orientation within Open Nanoscale Hosts (dataset). https://doi.org/10.34804/supra.20210928166 |
| Link: | https://doi.org/10.34804/supra.20210928166 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Z. R. Laughrey, C. L. D. Gibb, T. Senechal, B. C. Gibb, Chem. Eur. J. 2003, 9, 130–139. |
| Link: | https://doi.org/10.1002/chem.200390008 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-Fluoroadamantane (0.03333333333333333 M) and tpMe-PE-MB (0 — 0.06666666666666667 M).
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