Interaction Scheme
Molecule
4,7-Dimethyl-1,10-phenanthroline
c = 0.0 — 133.3 µM
Host
HMe-CB7
c = 100.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 7.13⋅105 | ± 3.60⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -33.41 | ± 0.13 | -7.99 | ± 0.03 |
| ΔH | = | -0.0381 | ± 0.0022 | -0.01 | ± 0.0 |
| -TΔS | = | -33.37 | -7.98 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 111.9 | 26.8 | ||
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 | Single Solvent |
| Solvent | water |
| pH | 2.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
L. Chen, Z. Tao, L. Meng, W. Zhao, W. Sun, R. Lin, Q. Zhu, J. Liu, SupraBank 2024, Single and Double Binding of 1,10-Phenanthroline and 4,7-Dimethyl-1,10-phenanthroline to HMeQ[7]: Contrasting pKa Shifts Induced by HMeQ[7] (dataset). https://doi.org/10.34804/supra.20210928299 |
| Link: | https://doi.org/10.34804/supra.20210928299 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
L.-J. Meng, W.-X. Zhao, L.-X. Chen, W.-Q. Sun, R.-L. Lin, Q.-J. Zhu, Z. Tao, J.-X. Liu, ChemistrySelect 2018, 3, 1335–1341. |
| Link: | https://doi.org/10.1002/slct.201703040 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 4,7-Dimethyl-1,10-phenanthroline (2.8050490883590464e-05 M) and HMe-CB7 (0 — 5.610098176718093e-05 M).
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