Interaction Scheme

Molecule

Untitled
Sodium trichloroacetate

c = 0.0 — 213.0 µM

Host

Pos1
P1

c = 150.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 7.03⋅104 M-1
Kd =
logKa = 4.85
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -27.67 -6.61
ΔH = -24.18 -5.78
-TΔS = 3.47 0.83
J mol-1 K-1 cal mol-1 K-1
ΔS = -11.6 -2.8
Comment
Please check thermodynamic parameters.
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. Gibb, J. Jordan, A. Wishard, T. Pham, SupraBank 2024, Ion–Hydrocarbon and/or Ion–Ion Interactions: Direct and Reverse Hofmeister Effects in a Synthetic Host (dataset). https://doi.org/10.34804/supra.2021092870

Link: https://doi.org/10.34804/supra.2021092870
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. H. Jordan, C. L. D. Gibb, A. Wishard, T. Pham, B. C. Gibb, J. Am. Chem. Soc. 2018, 140, 4092–4099.

Link: https://doi.org/10.1021/jacs.8b00196
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium trichloroacetate (0.0002844950213371266 M) and P1 (0 — 0.0005689900426742532 M).