Interaction Scheme
Molecule
scopolamine
c = 0.0 — 4496.91 µM
Host
β-CD
c = 1500.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1520.0 | ± 110.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -18.16 | ± 0.18 | -4.34 | ± 0.04 |
| ΔH | = | -4.35 | ± 0.5 | -1.04 | ± 0.12 |
| -TΔS | = | -13.8 | -3.3 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 46.3 | 11.1 | ||
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 OMEGA | ||
| VCell | = | 1361.1 𝜇L | |
| VSyringe | = | 250.0 𝜇L | |
| cmolecule | = | 30000.0 𝜇M syringe | |
| cpartner | = | 1500.0 𝜇M cell | |
| Ninjection | = | 31 | |
| Vinjection | = | 8.0 𝜇L | |
| Vinit | = | 0.0 𝜇L | |
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
M. Wszelaka-Rylik, P. Gierycz, SupraBank 2024, Isothermal titration calorimetry (ITC) study of natural cyclodextrins inclusion complexes with tropane alkaloids (dataset). https://doi.org/10.34804/supra.20240816571 |
| Link: | https://doi.org/10.34804/supra.20240816571 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. Wszelaka-Rylik, P. Gierycz, J Therm Anal Calorim 2015, 121, 1359–1364. |
| Link: | https://doi.org/10.1007/s10973-015-4658-1 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of scopolamine (0.013157894736842105 M) and β-CD (0 — 0.02631578947368421 M).
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