Interaction Scheme
Molecule
Homopiperazine
c = 1000.0 µM
Host
stCx4
c = 0.0 — 2989.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 243.0 | ± 6.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -13.62 | ± 0.06 | -3.26 | ± 0.01 |
| ΔH | = | -16.0 | ± 0.33 | -3.82 | ± 0.08 |
| -TΔS | = | 2.8 | ± 0.39 | 0.67 | ± 0.09 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -9.4 | ± 1.3 | -2.2 | ± 0.3 |
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-7.2 |
| Solvents | water | |
| Additives | Disodium hydrog... | |
| Sodium dihydro... | ||
| Source of Concentration | estimated | |
| Total concentration | 100.0 mM | |
| pH | 7.2 |
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 Homopiperazine (0.0823045267489712 M) and stCx4 (0 — 0.1646090534979424 M).
Please sign in: customize the simulation by signing in to the SupraBank.
