Interaction Scheme
Molecule
sodium 1-octanesulfonate
c = 16000.0 µM
Host
P5A-CH2CH2NMe3
c = 0.0 — 49920.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.33⋅104 | ± 9400.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 20.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -23.14 | ± 2.15 | -5.53 | ± 0.51 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | H | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Deuterium Oxide |
Please find here information about the dataset this interaction is part of.
| Citation: |
Y. Ma, X. Ji, F. Xiang, X. Chi, C. Han, J. He, Z. Abliz, W. Chen, F. Huang, SupraBank 2024, A cationic water-soluble pillar[5]arene: synthesis and host–guest complexation with sodium 1-octanesulfonate (dataset). https://doi.org/10.34804/supra.20240816572 |
| Link: | https://doi.org/10.34804/supra.20240816572 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Y. Ma, X. Ji, F. Xiang, X. Chi, C. Han, J. He, Z. Abliz, W. Chen, F. Huang, Chem. Commun. 2011, 47, 12340. |
| Link: | https://doi.org/%2010.1039/C1CC15660H |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of sodium 1-octanesulfonate (0.0015037593984962407 M) and P5A-CH2CH2NMe3 (0 — 0.0030075187969924814 M).
Please sign in: customize the simulation by signing in to the SupraBank.
