Interaction

curated

Interaction Scheme

Molecule

Untitled
Ethanol

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 10.96 ± 2.03 M-1
Kd =
logKa = 1.04 ± 0.08
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -5.94 ± 0.46 -1.42 ± 0.11
ΔH = -13.4 ± 0.7 -3.2 ± 0.17
-TΔS = 7.4 ± 1.1 1.77 ± 0.26
J mol-1 K-1 cal mol-1 K-1
ΔS = -24.8 ± 3.7 -5.9 ± 0.9
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 water
pH 7.5
Please find here information about the dataset this interaction is part of.
Citation:

F. Perret, J. Morel, N. Morel-Desrosiers, SupraBank 2024, Thermodynamics of the Complexation of the p-Sulfonatocalix[4]arene with Simple Model Guests in Water: a Microcalorimetric Study (dataset). https://doi.org/10.34804/supra.2021092853

Link: https://doi.org/10.34804/supra.2021092853
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

F. Perret, J.-P. Morel, N. Morel-Desrosiers, Supramolecular Chemistry 2003, 15, 199–206.

Link: https://doi.org/10.1080/1061027031000078275
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Ethanol (1.824817518248175 M) and sCx4 (0 — 3.64963503649635 M).