Interaction Scheme
Molecule
4,4'-Dipyridine
Host
sCx5
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2039.0 | ± 3.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -18.89 | ± 0.0 | -4.51 | ± 0.0 |
| ΔH | = | -30.0 | ± 0.1 | -7.17 | ± 0.02 |
| -TΔS | = | 11.1 | ± 0.1 | 2.65 | ± 0.02 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -37.2 | ± 0.3 | -8.9 | ± 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 | 100 mM phosphate pH-2.0 |
| Solvents | water | |
| Additives | Sodium dihydrog... | 100.0 mM |
| Phosphoric acid | ||
| Source of Concentration | ||
| Total concentration | 100.0 mM | |
| pH | 2.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
D. Guo, Y. Liu, H. Zhang, Y. Ma, E. Yang, SupraBank 2024, The Structure and Thermodynamics of Calix[n]arene Complexes with Dipyridines and Phenanthroline in Aqueous Solution Studied by Microcalorimetry and NMR Spectroscopy (dataset). https://doi.org/10.34804/supra.20210928126 |
| Link: | https://doi.org/10.34804/supra.20210928126 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Y. Liu, D.-S. Guo, H.-Y. Zhang, Y.-H. Ma, E.-C. Yang, J. Phys. Chem. B 2006, 110, 3428–3434. |
| Link: | https://doi.org/10.1021/jp0545703 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 4,4'-Dipyridine (0.00980872976949485 M) and sCx5 (0 — 0.0196174595389897 M).
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