Interaction Scheme
Molecule
3,5-Dimethyladamantan-1-aminium
c = 0.0 — 60.0 µM
Host
CB8
c = 25.0 µM
Indicator
bis(dimethylpyridinium)diarylethene (closed form)
c = 24.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.10⋅1012 | ± 2.20⋅1011 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -68.73 | ± 0.5 | -16.43 | ± 0.12 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Competitive | |||
| Assay Type: | Competitive Binding Assay | |||
| Technique: | Absorbance | |||
| 𝛌abs | = | 640.0 nm | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
P. Ferreira, B. Ventura, A. Barbieri, J. P. Da Silva, C. A. T. Laia, A. J. Parola, N. Basílio, SupraBank 2024, A Visible–Near‐Infrared Light‐Responsive Host–Guest Pair with Nanomolar Affinity in Water (dataset). https://doi.org/10.34804/supra.20210928391 |
| Link: | https://doi.org/10.34804/supra.20210928391 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
P. Ferreira, B. Ventura, A. Barbieri, J. P. Da Silva, C. A. T. Laia, A. J. Parola, N. Basílio, Chem. Eur. J. 2019, 25, 3477–3482. |
| Link: | https://doi.org/10.1002/chem.201806105 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 3,5-Dimethyladamantan-1-aminium (1.818181818181818e-11 M) and CB8 (0 — 3.636363636363636e-11 M).
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