Interaction Scheme
Molecule
Sodium sulfate
c = 0.0 — 3719.04 µM
Host
6,6,19,19-tetramethyl-12,13,25,26-tetraoxo-2,6,...
c = 800.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4.60⋅106 | ± 1.00⋅106 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -38.03 | ± 0.55 | -9.09 | ± 0.13 |
| ΔH | = | 11.3 | 2.7 | ||
| -TΔS | = | -48.7 | -11.64 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 163.3 | 39.0 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| VCell | = | 1500.0 𝜇L | |
| cmolecule | = | 5000.0 𝜇M syringe | |
| cpartner | = | 800.0 𝜇M cell | |
| Ninjection | = | 30 | |
| Vinjection | = | 150.0 𝜇L | |
| Vinit | = | 5.0 𝜇L | |
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | methanol | 100.0 % |
Please find here information about the dataset this interaction is part of.
| Citation: |
P. Ballester, R. Prohens, G. Martorell, A. Costa, SupraBank 2024, A squaramide fluorescent ensemble for monitoring sulfate in water (dataset). https://doi.org/10.34804/supra.20210928310 |
| Link: | https://doi.org/10.34804/supra.20210928310 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
R. Prohens, G. Martorell, P. Ballester, A. Costa, Chem. Commun. 2001, 1456–1457. |
| Link: | https://doi.org/10.1039/B104172J |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium sulfate (4.347826086956521e-06 M) and 6,6,19,19-tetramethyl-12,13,25,26-tetraoxo-2,6,10,15,19,23-hexaazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-6,19-diium (0 — 8.695652173913043e-06 M).
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