Interaction Scheme
Molecule
Coumarin-30-neutral
c = 1.1 µM
Host
CB7
c = 0.0 — 90.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 2 Host | ||
| Ka = | 1.27⋅109 | M-2 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -51.97 | -12.42 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 463.0 nm | ||
| 𝛌em | = | 505.0 nm | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | water | 100.0 % |
| Additives | hydrochloric acid | |
| Perchloric acid | ||
| pH | 3.0 |
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 (1.5735641227380017e-08 M) and CB7 (0 — 3.147128245476003e-08 M).
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