Interaction Scheme

Molecule

Untitled
Betaine

Host

Scx6 sodium salt
sCx6-sodium salt

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 263.0 ± 4.0 M-1
Kd =
logKa = 2.42 ± 0.01
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -13.81 ± 0.04 -3.3 ± 0.01
ΔH = -31.71 ± 0.08 -7.58 ± 0.02
-TΔS = 17.87 ± 0.25 4.27 ± 0.06
J mol-1 K-1 cal mol-1 K-1
ΔS = -59.9 ± 0.8 -14.3 ± 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 Buffer System 100 mM phosphate pH-7.2
Solvents water
Source of Concentration estimated
Total concentration 100.0 mM
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, Y. Liu, L. Wang, Y. Chen, SupraBank 2024, Thermodynamics of interactions between organic ammonium ions and sulfonatocalixarenes (dataset). https://doi.org/10.34804/supra.20210928383

Link: https://doi.org/10.34804/supra.20210928383
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

L.-H. Wang, D.-S. Guo, Y. Chen, Y. Liu, Thermochimica Acta 2006, 443, 132–135.

Link: https://doi.org/10.1016/j.tca.2005.12.025
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Betaine (0.07604562737642585 M) and sCx6-sodium salt (0 — 0.1520912547528517 M).