Interaction Scheme
Molecule
Sodium deoxycholate
c = 100.0 — 520.0 µM
Host
Mono(6-amino-6-deoxy)-β-Cyclodextrin
c = 1990.0 — 4160.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 7705.0 | ± 3.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -22.19 | ± 0.0 | -5.3 | ± 0.0 |
| ΔH | = | -32.16 | ± 0.08 | -7.69 | ± 0.02 |
| -TΔS | = | 9.98 | 2.39 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -33.5 | -8.0 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | cell | ||
| Partner: | syringe | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 100 mM phosphate pH-7.2 |
| Solvents | water | |
| Additives | Sodium dihydrog... | |
| Disodium hydrog... | ||
| Source of Concentration | ||
| Total concentration | 100.0 mM | |
| pH | 7.2 |
Please find here information about the dataset this interaction is part of.
| Citation: |
Y. Liu, L. Wang, H. Zhang, Y. Yang, R. Cao, S. Song, SupraBank 2024, Thermodynamic Origin of Molecular Selective Binding of Bile Salts by Aminated β-Cyclodextrins (dataset). https://doi.org/10.34804/supra.20210928228 |
| Link: | https://doi.org/10.34804/supra.20210928228 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Y. Liu, Y.-W. Yang, R. Cao, S.-H. Song, H.-Y. Zhang, L.-H. Wang, J. Phys. Chem. B 2003, 107, 14130–14139. |
| Link: | https://doi.org/10.1021/jp036366q |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium deoxycholate (0.0025957170668397143 M) and Mono(6-amino-6-deoxy)-β-Cyclodextrin (0 — 0.005191434133679429 M).
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