Interaction Scheme

Molecule

Untitled
Phenolphthalein

Host

Gamma cd
γ-CD

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3140.0 ± 20.0 M-1
Kd =
logKa = 3.5 ± 0.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -19.96 ± 0.02 -4.77 ± 0.0
ΔH = -29.0 ± 1.3 -6.93 ± 0.31
-TΔS = 9.2 ± 1.0 2.2 ± 0.24
J mol-1 K-1 cal mol-1 K-1
ΔS = -30.9 ± 3.4 -7.4 ± 0.8
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: cell
Detailed information about the solvation.
Solvent System Buffer System 150 mM sodium carbonate buffer
Solvents water
Additives Sodium carbonate
sodium bicabonate
potassium chloride
Source of Concentration estimated
Total concentration 150.0 mM
pH 9.94
Please find here information about the dataset this interaction is part of.
Citation:

R. I. Gelb, S. Raso, J. S. Alper, SupraBank 2024, Complexation reactions of β-cyclodextrin, per-(2,3,6-O-methyl) cycloheptaamylose and γ-cyclodextrin with phenolphthalein, adamantane carboxylate and adamantane acetate (dataset). https://doi.org/10.34804/supra.20210928269

Link: https://doi.org/10.34804/supra.20210928269
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

R. I. Gelb, S. Raso, J. S. Alper, Supramolecular Chemistry 1995, 4, 279–285.

Link: https://doi.org/10.1080/10610279508028937
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Phenolphthalein (0.006369426751592357 M) and γ-CD (0 — 0.012738853503184714 M).