Interaction Scheme

Molecule

Benzyltrimethylammonium chloride
Benzyltrimethylammonium chloride

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.20⋅104 ± 40.0 M-1
Kd =
logKa = 4.08 ± 0.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.29 ± 0.01 -5.57 ± 0.0
ΔH = -32.34 ± 0.02 -7.73 ± 0.0
-TΔS = 9.0 ± 0.13 2.15 ± 0.03
J mol-1 K-1 cal mol-1 K-1
ΔS = -30.2 ± 0.4 -7.2 ± 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 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
Export: BibTex | RIS | EndNote
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
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Benzyltrimethylammonium chloride (0.0016636167027116952 M) and sCx4 (0 — 0.0033272334054233904 M).