Interaction Scheme
Molecule
AntNMe2+-2kPEG
c ≈ 0.0 — 200.0 µM
Host
CB8
c = 40.0 µM
Binding Properties
| 𝜈 | Molecule 2 : 1 Host | ||
| Ka = | 2.10⋅1010 | ± 1.00⋅1010 | M-2 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -58.92 | ± 1.28 | -14.08 | ± 0.31 |
| ΔH | = | -94.0 | ± 5.0 | -22.47 | ± 1.2 |
| -TΔS | = | 35.0 | ± 5.0 | 8.37 | ± 1.2 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -117.4 | ± 16.8 | -28.1 | ± 4.0 |
- Comment
- homoternary complex. K1*K2 and DH1+DH2 given
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | MicroCal VP-ITC | ||
| VCell | = | 1400.0 𝜇L | |
| VSyringe | = | 350.0 𝜇L | |
| cmolecule | = | 1000.0 𝜇M syringe | |
| cpartner | = | 40.0 𝜇M cell | |
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
O. A. Scherman, F. Biedermann, I. Ross, SupraBank 2024, Host–guest accelerated photodimerisation of anthracene-labeled macromolecules in water (dataset). https://doi.org/10.34804/supra.20220629453 |
| Link: | https://doi.org/10.34804/supra.20220629453 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
F. Biedermann, I. Ross, O. A. Scherman, Polym. Chem. 2014, 5, 5375. |
| Link: | https://doi.org/10.1039/C4PY00627E |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of AntNMe2+-2kPEG (9.523809523809524e-10 M) and CB8 (0 — 1.904761904761905e-09 M).
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