Interaction Scheme
Molecule
Phenyltrimethylammonium
c = 1000.0 µM
Host
sCX4-(C2O-C2)
c = 100.0 — 5000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 251.19 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -13.7 | -3.27 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 100 mM deuterated phosphate pD-7.3 |
| Solvents | Deuterium Oxide | |
| Additives | Disodium deuter... | |
| Sodium dideuter... | ||
| Source of Concentration | estimated | |
| Total concentration | 100.0 mM | |
| pH | 7.3 |
Please find here information about the dataset this interaction is part of.
| Citation: |
G. Arena, F. G. Gulino, D. Sciotto, A. Casnati, A. Contino, R. Ungaro, SupraBank 2024, Entropic origin of the sulfonate groups’ electrostatic assistance in the complexation of quaternary ammonium cations by water soluble calix[4]arenes (dataset). https://doi.org/10.34804/supra.20210928389 |
| Link: | https://doi.org/10.34804/supra.20210928389 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
G. Arena, A. Casnati, A. Contino, F. G. Gulino, D. Sciotto, R. Ungaro, J. Chem. Soc., Perkin Trans. 2 2000, 419–423. |
| Link: | https://doi.org/10.1039/A909847J |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Phenyltrimethylammonium (0.0796210040208607 M) and sCX4-(C2O-C2) (0 — 0.1592420080417214 M).
Please sign in: customize the simulation by signing in to the SupraBank.
