Interaction Scheme
Molecule
3-Ethoxypropylamine
c = 94000.0 µM
Host
α-CD
c = 1110.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 8.0 | ± 4.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -5.15 | ± 1.36 | -1.23 | ± 0.33 |
| ΔH | = | -13.0 | ± 6.0 | -3.11 | ± 1.43 |
| -TΔS | = | 8.0 | ± 6.0 | 1.91 | ± 1.43 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -26.8 | ± 20.1 | -6.4 | ± 4.8 |
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 | 50 mM phosphate pH-6.9 |
| Solvents | water | 100.0 % |
| Additives | Disodium hydrog... | 25.0 mM |
| Sodium dihydrog... | 25.0 mM | |
| Source of Concentration | real | |
| Total concentration | 50.0 mM | |
| pH | 6.9 |
Please find here information about the dataset this interaction is part of.
| Citation: |
Y. Inoue, M. Rekharsky, SupraBank 2026, Chiral Recognition Thermodynamics of β-Cyclodextrin: The Thermodynamic Origin of Enantioselectivity and the Enthalpy−Entropy Compensation Effect (dataset). https://doi.org/10.34804/supra.20210928379 |
| Link: | https://doi.org/10.34804/supra.20210928379 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. Rekharsky, Y. Inoue, J. Am. Chem. Soc. 2000, 122, 4418–4435. |
| Link: | https://doi.org/10.1021/ja9921118 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 3-Ethoxypropylamine (2.5 M) and α-CD (0 — 5.0 M).
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