Interaction Scheme
Molecule
11-aminoundecanoic acid
Host
CB6
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 478.63 | ± 44.15 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -15.3 | ± 0.23 | -3.66 | ± 0.05 |
| ΔH | = | -2.3 | ± 0.1 | -0.55 | ± 0.02 |
| -TΔS | = | -12.9 | ± 0.2 | -3.08 | ± 0.05 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 43.3 | ± 0.7 | 10.3 | ± 0.2 |
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 | Complex Mixture | |
| Solvents | water | 50.0 % |
| Formic acid | 50.0 % | |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. D. Stancu, H. Buschmann, L. Mutihac, SupraBank 2024, Survey on thermodynamic properties for the complexation behaviour of some calixarene and cucurbituril receptors (dataset). https://doi.org/10.34804/supra.20210928271 |
| Link: | https://doi.org/10.34804/supra.20210928271 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
A. D. Stancu, H.-J. Buschmann, L. Mutihac, J Incl Phenom Macrocycl Chem 2012, 75, 1–10. |
| Link: | https://doi.org/10.1007/s10847-012-0137-5 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 11-aminoundecanoic acid (0.04178593067714101 M) and CB6 (0 — 0.08357186135428202 M).
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