Interaction

curated

Interaction Scheme

Molecule

Untitled
1-propanol

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 21.88 ± 2.02 M-1
Kd =
logKa = 1.34 ± 0.04
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -7.65 ± 0.23 -1.83 ± 0.05
ΔH = -16.6 ± 0.8 -3.97 ± 0.19
-TΔS = 9.0 ± 1.0 2.15 ± 0.24
J mol-1 K-1 cal mol-1 K-1
ΔS = -30.2 ± 3.4 -7.2 ± 0.8
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-propanol (0.9140767824497258 M) and sCx4 (0 — 1.8281535648994516 M).