Interaction Scheme
Molecule
METHYL ORANGE
Host
β-CD
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4500.0 | ± 400.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -20.85 | ± 0.22 | -4.98 | ± 0.05 |
| ΔH | = | 19.7 | ± 1.7 | 4.71 | ± 0.41 |
| -TΔS | = | -1.5 | ± 1.5 | -0.36 | ± 0.36 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 5.0 | ± 5.0 | 1.2 | ± 1.2 |
- 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: | Absorbance | |||
| 𝛌abs | = | 530.0 nm | ||
Detailed information about the solvation.
| Solvent System | Buffer System | phosphate buffer, pH 7 |
| Solvents | water | |
| Additives | phosphate | |
| Source of Concentration | ||
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
R. I. Gelb, L. M. Schwartz, SupraBank 2024, Complexation of adamantane-ammonium substrates by beta-cyclodextrin and itsO-methylated derivatives (dataset). https://doi.org/10.34804/supra.20210928268 |
| Link: | https://doi.org/10.34804/supra.20210928268 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
R. I. Gelb, L. M. Schwartz, J Incl Phenom Macrocycl Chem 1989, 7, 537–543. |
| Link: | https://doi.org/10.1007/BF01080464 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of METHYL ORANGE (0.0044444444444444444 M) and β-CD (0 — 0.008888888888888889 M).
Please sign in: customize the simulation by signing in to the SupraBank.
