Interaction Scheme
Molecule
Sodium deoxycholate
Host
PM-β-CD
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 774.0 | ± 38.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -16.49 | ± 0.12 | -3.94 | ± 0.03 |
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: | syringe | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 100 mM phosphate pH-7.2 |
| Solvents | water | |
| Source of Concentration | estimated | |
| Total concentration | 100.0 mM | |
| pH | 7.2 |
Please find here information about the dataset this interaction is part of.
| Citation: |
D. Guo, Y. Liu, J. Shi, SupraBank 2025, Novel Permethylated β-Cyclodextrin Derivatives Appended with Chromophores as Efficient Fluorescent Sensors for the Molecular Recognition of Bile Salts (dataset). https://doi.org/10.34804/supra.20210928297 |
| Link: | https://doi.org/10.34804/supra.20210928297 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Y. Liu, J. Shi, D.-S. Guo, J. Org. Chem. 2007, 72, 8227–8234. |
| Link: | https://doi.org/10.1021/jo071131m |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium deoxycholate (0.025839793281653745 M) and PM-β-CD (0 — 0.05167958656330749 M).
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