Interaction Scheme

Molecule

Untitled
Li+

Host

Scx4
sCx4

c = 400.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 139.0 ± 7.0 M-1
Kd =
logKa = 2.14 ± 0.02
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -12.23 ± 0.12 -2.92 ± 0.03
ΔH = 9.3 ± 0.1 2.22 ± 0.02
-TΔS = -21.5 ± 0.1 -5.14 ± 0.02
J mol-1 K-1 cal mol-1 K-1
ΔS = 72.1 ± 0.3 17.2 ± 0.1
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
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, L. García-Río, V. Francisco, A. Piñeiro, SupraBank 2024, The “True” Affinities of Metal Cations top-Sulfonatocalix[4]arene: A Thermodynamic Study at Neutral pH Reveals a Pitfall Due to Salt Effects in Microcalorimetry (dataset). https://doi.org/10.34804/supra.20210928390

Link: https://doi.org/10.34804/supra.20210928390
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

V. Francisco, A. Piñeiro, W. M. Nau, L. García-Río, Chem. Eur. J. 2013, 19, 17809–17820.

Link: https://doi.org/10.1002/chem.201302365
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Li+ (0.14388489208633093 M) and sCx4 (0 — 0.28776978417266186 M).