Interaction Scheme
Molecule
Neutral Red protonated
c = 2.07 µM
Host
CB7
c = 0.0 — 44.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 6.00⋅105 | ± 1.00⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -32.98 | ± 0.42 | -7.88 | ± 0.1 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 520.0 nm | ||
| 𝛌em | = | 600.0 nm | ||
| Ibound⁄Ifree | = | 8.0 | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture |
| Solvents | water |
| Additives | Perchloric acid |
| pH | 2.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
H. Pal, W. M. Nau, J. Mohanty, A. C. Bhasikuttan, SupraBank 2024, Host−Guest Complexation of Neutral Red with Macrocyclic Host Molecules: Contrasting pKa Shifts and Binding Affinities for Cucurbit[7]uril and β-Cyclodextrin (dataset). https://doi.org/10.34804/supra.20210928398 |
| Link: | https://doi.org/10.34804/supra.20210928398 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J. Mohanty, A. C. Bhasikuttan, W. M. Nau, H. Pal, J. Phys. Chem. B 2006, 110, 5132–5138. |
| Link: | https://doi.org/10.1021/jp056411p |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Neutral Red protonated (3.3333333333333335e-05 M) and CB7 (0 — 6.666666666666667e-05 M).
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