Interaction Scheme
Molecule
Benzyltriethylammonium
c = 350.0 — 10000.0 µM
Host
sCX4-CCOOH
c = 1000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1995.26 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -18.84 | -4.5 |
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, S. Gentile, F. G. Gulino, D. Sciotto, C. Sgarlata, SupraBank 2024, Water-soluble pentasulfonatocalix[5]arene: selective recognition of ditopic trimethylammonium cations by a triple non-covalent interaction (dataset). https://doi.org/10.34804/supra.20210928270 |
| Link: | https://doi.org/10.34804/supra.20210928270 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
G. Arena, S. Gentile, F. G. Gulino, D. Sciotto, C. Sgarlata, Tetrahedron Letters 2004, 45, 7091–7094. |
| Link: | https://doi.org/10.1016/j.tetlet.2004.07.108 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Benzyltriethylammonium (0.010023756302436775 M) and sCX4-CCOOH (0 — 0.02004751260487355 M).
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