Interaction Scheme
Molecule
Berberine chloride
c = 0.0 — 84.0 µM
Host
CB8
c = 21.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 9.40⋅106 | ± 1.20⋅106 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -39.8 | ± 0.32 | -9.51 | ± 0.08 |
| ΔH | = | -25.0 | ± 2.0 | -5.98 | ± 0.48 |
| -TΔS | = | -15.0 | ± 2.0 | -3.59 | ± 0.48 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 50.3 | ± 6.7 | 12.0 | ± 1.6 |
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: | 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: |
Z. Miskolczy, L. Biczok, SupraBank 2024, Sequential inclusion of two berberine cations in cucurbit[8]uril cavity: kinetic and thermodynamic studies (dataset). https://doi.org/10.34804/supra.202109285 |
| Link: | https://doi.org/10.34804/supra.202109285 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Z. Miskolczy, L. Biczók, Phys. Chem. Chem. Phys. 2014, 16, 20147–20156. |
| Link: | https://doi.org/10.1039/C4CP02919D |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Berberine chloride (2.1276595744680853e-06 M) and CB8 (0 — 4.255319148936171e-06 M).
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