Interaction Scheme
Molecule
1,5-diazacyclooctane
c = 1000.0 µM
Host
sCx4
c = 0.0 — 2989.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.38⋅104 | ± 5.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -23.63 | ± 0.0 | -5.65 | ± 0.0 |
| ΔH | = | -17.48 | ± 0.05 | -4.18 | ± 0.01 |
| -TΔS | = | -6.15 | ± 0.05 | -1.47 | ± 0.01 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 20.6 | ± 0.2 | 4.9 | ± 0.0 |
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: | syringe | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 100 mM phosphate pH-2.0 |
| Solvents | water | |
| Additives | Sodium dihydrog... | 100.0 mM |
| Phosphoric acid | ||
| Source of Concentration | ||
| Total concentration | 100.0 mM | |
| pH | 2.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
Y. Liu, E. Yang, Y. Chen, SupraBank 2024, Intermolecular complexation thermodynamics between water-soluble calix[4]arenes and diazacycloalkanes (dataset). https://doi.org/10.34804/supra.20210928171 |
| Link: | https://doi.org/10.34804/supra.20210928171 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Y. Liu, E.-C. Yang, Y. Chen, Thermochimica Acta 2005, 429, 163–166. |
| Link: | https://doi.org/10.1016/j.tca.2005.03.002 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,5-diazacyclooctane (0.0014519056261343012 M) and sCx4 (0 — 0.0029038112522686023 M).
Please sign in: customize the simulation by signing in to the SupraBank.
