Interaction Scheme
Molecule
L-Alanine
Host
meso-Cx4-di(OPr)CHOHPO3H2
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 7762.47 | ± 1987.2 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -22.2 | ± 0.65 | -5.31 | ± 0.16 |
| ΔH | = | -8.19 | ± 0.21 | -1.96 | ± 0.05 |
| -TΔS | = | -14.0 | -3.35 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 47.0 | 11.2 | ||
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 | Single Solvent |
| Solvent | methanol |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. Zielenkiewicz, A. Marcinowicz, J. Poznański, S. Cherenok, V. Kalchenko, SupraBank 2025, Calorimetric, NMR, and UV Investigations of Aliphatic l-Amino Acids Complexation by Calix[4]arene Bis-hydroxymethylphosphous Acid (dataset). https://doi.org/10.34804/supra.20210928170 |
| Link: | https://doi.org/10.34804/supra.20210928170 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
W. Zielenkiewicz, A. Marcinowicz, J. Poznański, S. Cherenok, V. Kalchenko, J Incl Phenom Macrocycl Chem 2006, 55, 11–19. |
| Link: | https://doi.org/10.1007/s10847-005-9012-y |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Alanine (0.0025764994904972256 M) and meso-Cx4-di(OPr)CHOHPO3H2 (0 — 0.005152998980994451 M).
Please sign in: customize the simulation by signing in to the SupraBank.
