Interaction Scheme
Molecule
AntNMe2+-2kPEG
c ≈ 0.0 — 200.0 µM
Host
CB8
c = 40.0 µM
Cofactor
AntNMe2+-2kPEG
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3.00⋅105 | ± 1.00⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -31.26 | ± 0.86 | -7.47 | ± 0.21 |
- Comment
- homoternary complex. K1 and K2 fitted from same isotherm (titration guest to host)
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Associative 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 | |
| Cofactor: | 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 2025, 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 (6.666666666666667e-05 M) and CB8 (0 — 0.00013333333333333334 M).
Please sign in: customize the simulation by signing in to the SupraBank.
