Interaction Scheme
Molecule
Dodecane-trimethylamine
c = 0.0 — 216.0 µM
Host
CB7
c = 130.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 5.80⋅105 | ± 1.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -32.9 | ± 0.04 | -7.86 | ± 0.01 |
| ΔH | = | -21.9 | ± 0.1 | -5.23 | ± 0.02 |
| -TΔS | = | -11.0 | ± 0.1 | -2.63 | ± 0.02 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 36.9 | ± 0.3 | 8.8 | ± 0.1 |
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 | 50 mM acetate pH-4.8 |
| Solvents | water | |
| Additives | Sodium acetate | |
| acetic acid | ||
| Source of Concentration | ||
| Total concentration | 50.0 mM | |
| pH | 4.8 |
Please find here information about the dataset this interaction is part of.
| Citation: |
K. Kim, Y. Kim, H. Kim, Y. Ko, SupraBank 2024, U-Shaped Conformation of Alkyl Chains Bound to a Synthetic Host (dataset). https://doi.org/10.34804/supra.20210928184 |
| Link: | https://doi.org/10.34804/supra.20210928184 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Y. H. Ko, H. Kim, Y. Kim, K. Kim, Angew. Chem. Int. Ed. 2008, 47, 4106–4109. |
| Link: | https://doi.org/10.1002/anie.200800581 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Dodecane-trimethylamine (3.4482758620689657e-05 M) and CB7 (0 — 6.896551724137931e-05 M).
Please sign in: customize the simulation by signing in to the SupraBank.
