Interaction Scheme
Molecule
paraquat ion
c = 0.0 — 20000.0 µM
Host
CB7
c = 1000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.00⋅105 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -30.25 | -7.23 | ||
| ΔH | = | -14.2 | -3.39 | ||
| -TΔS | = | -16.0 | -3.82 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 53.7 | 12.8 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | MicroCal VP-ITC | ||
| VCell | = | 1400.0 𝜇L | |
| VSyringe | = | 350.0 𝜇L | |
| Molecule: | syringe | ||
| Partner: | cell | ||
| Ninjection | = | 50 | |
| Vinit | = | 5.0 𝜇L | |
Detailed information about the solvation.
| Solvent System | Buffer System | 0.05M Tris buffer pH 7 |
| Solvents | water | |
| Source of Concentration | ||
| Total concentration | 50.0 mM | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
K. Kim, Y. H. Ko, W. S. Jeon, H. Kim, SupraBank 2024, Inclusion of methylviologen in cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.20240325533 |
| Link: | https://doi.org/10.34804/supra.20240325533 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H.-J. Kim, W. S. Jeon, Y. H. Ko, K. Kim, Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 5007–5011. |
| Link: | https://doi.org/10.1073/pnas.062656699 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of paraquat ion (0.00010023744672389104 M) and CB7 (0 — 0.00020047489344778209 M).
Please sign in: customize the simulation by signing in to the SupraBank.
