Interaction Scheme
Molecule
2,2'-dipyridine.HCl
Host
OMeQ[6]
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.48⋅107 | ± 3.00⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -40.93 | ± 0.05 | -9.78 | ± 0.01 |
| ΔH | = | -65.83 | -15.73 | ||
| -TΔS | = | 23.36 | 5.58 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -78.3 | -18.7 | ||
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: | cell | ||
Detailed information about the solvation.
| Solvent System | No Solvent |
Please find here information about the dataset this interaction is part of.
| Citation: |
Z. Tao, X. Xiao, Q. Zhu, J. Liu, J. Zhou, X. Yu, Y. Zhao, Y. Zhang, S. Xue, Q. Zhang, SupraBank 2024, Synthesis of a symmetrical octamethyl-substituted cucurbituril with a dimethyl-substituted glycoluril dimer (dataset). https://doi.org/10.34804/supra.20231121507 |
| Link: | https://doi.org/10.34804/supra.20231121507 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J.-J. Zhou, X. Yu, Y.-C. Zhao, X. Xiao, Y.-Q. Zhang, Q.-J. Zhu, S.-F. Xue, Q.-J. Zhang, J.-X. Liu, Z. Tao, Tetrahedron 2014, 70, 800–804. |
| Link: | https://doi.org/10.1016/j.tet.2013.12.047 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,2'-dipyridine.HCl (1.3513513513513513e-06 M) and OMeQ[6] (0 — 2.7027027027027026e-06 M).
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