Interaction Scheme

Molecule

Untitled
4-Bromobenzoic acid

c = 0.0 — 206.0 µM

Host

Octa acid
Octa acid

c = 150.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5.63⋅105 M-1
Kd =
logKa = 5.75 ± NaN
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -32.82 ± NaN -7.84 ± NaN
ΔH = -46.82 -11.19
-TΔS = 14.02 3.35
J mol-1 K-1 cal mol-1 K-1
ΔS = -47.0 -11.2
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 10 mM phosphate pH-11.3
Solvents water
Additives Disodium phosph... 8.0 mM
Trisodium phosp... 2.0 mM
Source of Concentration
Total concentration 10.0 mM
pH 11.3
Please find here information about the dataset this interaction is part of.
Citation:

C. L. D. Gibb, B. C. Gibb, E. E. Oertling, S. Velaga, SupraBank 2024, Thermodynamic Profiles of Salt Effects on a Host–Guest System: New Insight into the Hofmeister Effect (dataset). https://doi.org/10.34804/supra.20210928188

Link: https://doi.org/10.34804/supra.20210928188
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

C. L. D. Gibb, E. E. Oertling, S. Velaga, B. C. Gibb, J. Phys. Chem. B 2015, 119, 5624–5638.

Link: https://doi.org/10.1021/acs.jpcb.5b01708
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 4-Bromobenzoic acid (3.552397868561279e-05 M) and Octa acid (0 — 7.104795737122558e-05 M).