Interaction

curated

Interaction Scheme

Molecule

Untitled
6-aminohexanoate

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 15.14 ± 1.75 M-1
Kd =
logKa = 1.18 ± 0.05
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -6.74 ± 0.29 -1.61 ± 0.07
ΔH = -20.0 ± 0.7 -4.78 ± 0.17
-TΔS = 13.3 ± 0.3 3.18 ± 0.07
J mol-1 K-1 cal mol-1 K-1
ΔS = -44.6 ± 1.0 -10.7 ± 0.2
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 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 6-aminohexanoate (1.321003963011889 M) and sCx4 (0 — 2.642007926023778 M).