Interaction Scheme

Molecule

Untitled
Magnesium chloride

Host

Scx4
sCx4

c = 400.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3800.0 M-1
Kd =
logKa = 3.58 ± NaN
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -20.43 ± NaN -4.88 ± NaN
ΔH = 11.9 ± 0.1 2.84 ± 0.02
-TΔS = -32.3 ± 0.1 -7.72 ± 0.02
J mol-1 K-1 cal mol-1 K-1
ΔS = 108.3 ± 0.3 25.9 ± 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
pH 7.0
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 Magnesium chloride (0.005263157894736842 M) and sCx4 (0 — 0.010526315789473684 M).