Interaction Scheme
Molecule
2-Phenethylamine
Host
Symmetric Tetramethyl Cucurbit[6]uril
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 5500.0 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -21.35 | -5.1 | ||
| ΔH | = | -11.9 | -2.84 | ||
| -TΔS | = | 4.5 | 1.08 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -15.1 | -3.6 | ||
- Comment
- Please check thermodynamic parameters.
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 | Buffer System | 10 mM phosphate pH-7.0 |
| Solvents | water | |
| Source of Concentration | ||
| Total concentration | 10.0 mM | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
L. Yang, J. Kan, X. Wang, Y. Zhang, Z. Tao, Q. Liu, F. Wang, X. Xiao, SupraBank 2024, Study on the Binding Interaction of the α,α′,δ,δ′-Tetramethylcucurbit[6]uril With Biogenic Amines in Solution and the Solid State (dataset). https://doi.org/10.34804/supra.20240328542 |
| Link: | https://doi.org/10.34804/supra.20240328542 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
L. Yang, J. Kan, X. Wang, Y. Zhang, Z. Tao, Q. Liu, F. Wang, X. Xiao, Front. Chem. 2018, 6, DOI 10.3389/fchem.2018.00289. |
| Link: | https://doi.org/10.3389/fchem.2018.00289 |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-Phenethylamine (0.0036363636363636364 M) and Symmetric Tetramethyl Cucurbit[6]uril (0 — 0.007272727272727273 M).
Please sign in: customize the simulation by signing in to the SupraBank.
