Interaction Scheme

Molecule

Untitled
TBAI

c = 1000.0 µM

Host

Scx4
sCx4

c = 0.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.62⋅104 ± M-1
Kd =
logKa = 4.21
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -24.03 ± NaN -5.74 ± NaN
ΔH = -21.6 ± 0.5 -5.16 ± 0.12
-TΔS = -2.4 ± 0.8 -0.57 ± 0.19
J mol-1 K-1 cal mol-1 K-1
ΔS = 8.0 ± 2.7 1.9 ± 0.6
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 Complex Mixture
Solvents water
Additives hydrochloric acid
pH 2.0
Please find here information about the dataset this interaction is part of.
Citation:

J. Morel, N. Morel-Desrosiers, C. Bonal, Y. Israëli, SupraBank 2024, Binding of inorganic and organic cations by p-sulfonatocalix[4]arene in water: a thermodynamic study (dataset). https://doi.org/10.34804/supra.20210928382

Link: https://doi.org/10.34804/supra.20210928382
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

C. Bonal, Y. Israëli, J.-P. Morel, N. Morel-Desrosiers, J. Chem. Soc., Perkin Trans. 2 2001, 1075–1078.

Link: https://doi.org/10.1039/B102038M
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of TBAI (0.0012331900777526343 M) and sCx4 (0 — 0.0024663801555052686 M).