Interaction

curated

Interaction Scheme

Molecule

Untitled
1-Butanol

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 38.02 ± 4.39 M-1
Kd =
logKa = 1.58 ± 0.05
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -9.02 ± 0.29 -2.16 ± 0.07
ΔH = -18.0 ± 0.6 -4.3 ± 0.14
-TΔS = 9.0 ± 0.9 2.15 ± 0.22
J mol-1 K-1 cal mol-1 K-1
ΔS = -30.2 ± 3.0 -7.2 ± 0.7
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
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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
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-Butanol (0.5260389268805892 M) and sCx4 (0 — 1.0520778537611783 M).