Interaction Scheme
Molecule
Cyclopentanone
c = 0.0 — 2000.0 µM
Host
CB7
c = 200.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3.30⋅105 | ± 200.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -31.5 | ± 0.0 | -7.53 | ± 0.0 |
| ΔH | = | -41.0 | ± 1.0 | -9.8 | ± 0.24 |
| -TΔS | = | 9.0 | ± 2.0 | 2.15 | ± 0.48 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -30.2 | ± 6.7 | -7.2 | ± 1.6 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | 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, O. A. Scherman, V. D. Uzunova, F. Biedermann, A. De Simone, SupraBank 2024, Release of High-Energy Water as an Essential Driving Force for the High-Affinity Binding of Cucurbit[n]urils (dataset). https://doi.org/10.34804/supra.2021092897 |
| Link: | https://doi.org/10.34804/supra.2021092897 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
F. Biedermann, V. D. Uzunova, O. A. Scherman, W. M. Nau, A. De Simone, J. Am. Chem. Soc. 2012, 134, 15318–15323. |
| Link: | https://doi.org/10.1021/ja303309e |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Cyclopentanone (6.0606060606060605e-05 M) and CB7 (0 — 0.00012121212121212121 M).
Please sign in: customize the simulation by signing in to the SupraBank.
