Interaction Scheme
Molecule
GEMCITABINE HYDROCHLORIDE
Host
CB7
c = 500.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.39⋅104 | ± 600.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -23.65 | ± 0.11 | -5.65 | ± 0.03 |
| ΔH | = | -32.6 | ± 1.3 | -7.79 | ± 0.31 |
| -TΔS | = | 8.8 | ± 1.7 | 2.1 | ± 0.41 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -29.5 | ± 5.7 | -7.1 | ± 1.4 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | VP-ITC | ||
| cmolecule | = | 5000.0 𝜇M syringe | |
| cpartner | = | 500.0 𝜇M cell | |
Detailed information about the solvation.
| Solvent System | Buffer System | 10mM formic buffer |
| Solvents | water | |
| Source of Concentration | real | |
| Total concentration | 10.0 mM | |
| pH | 3.8 |
Please find here information about the dataset this interaction is part of.
| Citation: |
A. Stepniak, B. Palecz, A. Buczkowski, P. Urbaniak, SupraBank 2024, Calorimetric and spectroscopic investigations of interactions between cucurbituril Q7 and gemcitabine in aqueous solutions (dataset). https://doi.org/10.34804/supra.20240322531 |
| Link: | https://doi.org/10.34804/supra.20240322531 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
A. Buczkowski, A. Stepniak, P. Urbaniak, B. Palecz, J Therm Anal Calorim 2018, 134, 595–607. |
| Link: | https://doi.org/10.1007/s10973-018-7295-7 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of GEMCITABINE HYDROCHLORIDE (0.0014388489208633094 M) and CB7 (0 — 0.0028776978417266188 M).
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