Interaction Scheme
Molecule
Phenolphthalein
Host
β-CD
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4.75⋅104 | ± 600.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -26.69 | ± 0.03 | -6.38 | ± 0.01 |
| ΔH | = | -45.2 | ± 0.8 | -10.8 | ± 0.19 |
| -TΔS | = | 18.5 | ± 0.9 | 4.42 | ± 0.22 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -62.0 | ± 3.0 | -14.8 | ± 0.7 |
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: | cell | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 150 mM sodium carbonate buffer |
| Solvents | water | |
| Additives | Sodium carbonate | |
| sodium bicabonate | ||
| potassium chloride | ||
| Source of Concentration | estimated | |
| Total concentration | 150.0 mM | |
| pH | 9.94 |
Please find here information about the dataset this interaction is part of.
| Citation: |
R. I. Gelb, S. Raso, J. S. Alper, SupraBank 2025, Complexation reactions of β-cyclodextrin, per-(2,3,6-O-methyl) cycloheptaamylose and γ-cyclodextrin with phenolphthalein, adamantane carboxylate and adamantane acetate (dataset). https://doi.org/10.34804/supra.20210928269 |
| Link: | https://doi.org/10.34804/supra.20210928269 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
R. I. Gelb, S. Raso, J. S. Alper, Supramolecular Chemistry 1995, 4, 279–285. |
| Link: | https://doi.org/10.1080/10610279508028937 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Phenolphthalein (0.0004210526315789474 M) and β-CD (0 — 0.0008421052631578948 M).
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