Interaction Scheme
Molecule
Mitoxantrone
c = 120.0 µM
Host
CB7
c = 0.0 — 2000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 2 Host | ||
| Ka = | 1950.0 | ± 180.0 | M-2 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -18.78 | ± 0.23 | -4.49 | ± 0.05 |
| ΔH | = | -62.3 | ± 3.1 | -14.89 | ± 0.74 |
| -TΔS | = | 43.6 | ± 1.2 | 10.42 | ± 0.29 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -146.2 | ± 4.0 | -35.0 | ± 1.0 |
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 | |
| Molecule: | cell | ||
| Partner: | syringe | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture |
| Solvents | hydrochloric acid |
| water | |
| pH | 4.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. Buczkowski, P. Tokarz, A. Stepniak, J. Lewkowski, A. Rodacka, B. Palecz, SupraBank 2024, Spectroscopic and calorimetric studies of interactions between mitoxantrone and cucurbituril Q7 in aqueous solutions (dataset). https://doi.org/10.34804/supra.20240314529 |
| Link: | https://doi.org/10.34804/supra.20240314529 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
A. Buczkowski, P. Tokarz, A. Stepniak, J. Lewkowski, A. Rodacka, B. Palecz, Journal of Molecular Liquids 2019, 290, 111190. |
| Link: | https://doi.org/10.1016/j.molliq.2019.111190 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Mitoxantrone (0.010256410256410256 M) and CB7 (0 — 0.020512820512820513 M).
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