Interaction

curated

Interaction Scheme

Molecule

Cs
Cs+

c = 0.0 — 100000.0 µM

Host

Cx4
Cx4

c = 1600.0 µM

Indicator

Untitled
2,3-Diazabicyclo(2.2.2)oct-2-ene

c = 1000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 150.0 ± 15.0 M-1
Kd =
logKa = 2.18 ± 0.04
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -12.42 ± 0.25 -2.97 ± 0.06
ΔH = 0.0 0.0
-TΔS = 10.0 2.39
J mol-1 K-1 cal mol-1 K-1
ΔS = -33.5 -8.0
Comment
Please check thermodynamic parameters.
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 365.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents Deuterium Oxide
Additives sodium deuteroxide
pH 2.4
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, H. Bakirci, A. L. Koner, SupraBank 2024, Binding of inorganic cations by p-sulfonatocalix[4]arene monitored through competitive fluorophore displacement in aqueous solution (dataset). https://doi.org/10.34804/supra.20210928275

Link: https://doi.org/10.34804/supra.20210928275
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Bakirci, A. L. Koner, W. M. Nau, Chem. Commun. 2005, 5411.

Link: https://doi.org/10.1039/B510319C
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Cs+ (0.13333333333333333 M) and Cx4 (0 — 0.26666666666666666 M).