Interaction Scheme
Molecule
Coumarin-30-neutral
c = 1.0 µM
Host
CB7
c = 0.0 — 275.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4.40⋅104 | ± 1000.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -26.5 | ± 0.06 | -6.33 | ± 0.01 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 423.0 nm | ||
| 𝛌em | = | 500.0 nm | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 5 mM carbonate pH-10.5 |
| Solvents | water | |
| Additives | Sodium carbonate | 4.1 mM |
| sodium bicabonate | 0.9 mM | |
| Source of Concentration | estimated | |
| Total concentration | 5.0 mM | |
| pH | 10.5 |
Please find here information about the dataset this interaction is part of.
| Citation: |
J. Mohanty, N. Barooah, A. C. Bhasikuttan, M. Sundararajan, SupraBank 2024, Synergistic Effect of Intramolecular Charge Transfer toward Supramolecular pKa Shift in Cucurbit[7]uril Encapsulated Coumarin Dyes (dataset). https://doi.org/10.34804/supra.20210928179 |
| Link: | https://doi.org/10.34804/supra.20210928179 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
N. Barooah, M. Sundararajan, J. Mohanty, A. C. Bhasikuttan, J. Phys. Chem. B 2014, 118, 7136–7146. |
| Link: | https://doi.org/10.1021/jp501824p |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Coumarin-30-neutral (0.00045454545454545455 M) and CB7 (0 — 0.0009090909090909091 M).
Please sign in: customize the simulation by signing in to the SupraBank.
