Interaction Scheme
Molecule
Testosterone
c = 110.0 µM
Host
CB8
c = 15.0 µM
Indicator
Methyl viologen
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.10⋅108 | ± 1.70⋅107 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -45.9 | ± 0.38 | -10.97 | ± 0.09 |
| ΔH | = | -40.5 | ± 2.0 | -9.68 | ± 0.48 |
| -TΔS | = | -5.4 | ± 2.5 | -1.29 | ± 0.6 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 18.1 | ± 8.4 | 4.3 | ± 2.0 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Competitive | ||
| Assay Type: | Competitive Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | syringe | ||
| Indicator: | 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: |
W. M. Nau, F. Biedermann, K. I. Assaf, A. I. Lazar, A. Hennig, K. R. Mustafina, SupraBank 2024, Nanomolar Binding of Steroids to Cucurbit[n]urils: Selectivity and Applications (dataset). https://doi.org/10.34804/supra.20210928373 |
| Link: | https://doi.org/10.34804/supra.20210928373 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
A. I. Lazar, F. Biedermann, K. R. Mustafina, K. I. Assaf, A. Hennig, W. M. Nau, J. Am. Chem. Soc. 2016, 138, 13022–13029. |
| Link: | https://doi.org/10.1021/jacs.6b07655 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Testosterone (1.8181818181818183e-07 M) and CB8 (0 — 3.6363636363636366e-07 M).
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