Interaction Scheme
Molecule
Coumarin-30-neutral
c = 5.0 µM
Host
CB8
c = 0.0 — 90.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.46⋅1011 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -63.73 | -15.23 | ||
| ΔH | = | 35180.0 | 8408.22 | ||
| -TΔS | = | 146.0 | 34.89 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -489.7 | -117.0 | ||
- Comment
- Please check thermodynamic parameters.
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 |
| pH | 3.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
J. Mohanty, N. Barooah, A. C. Bhasikuttan, SupraBank 2024, Cucurbit[8]uril-templated H and J dimers of bichromophoric coumarin dyes: origin of contrasting emission (dataset). https://doi.org/10.34804/supra.20210928175 |
| Link: | https://doi.org/10.34804/supra.20210928175 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
N. Barooah, J. Mohanty, A. C. Bhasikuttan, Chem. Commun. 2015, 51, 13225–13228. |
| Link: | https://doi.org/10.1039/C5CC05033B |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Coumarin-30-neutral (1.3698630136986302e-10 M) and CB8 (0 — 2.7397260273972604e-10 M).
Please sign in: customize the simulation by signing in to the SupraBank.
