Interaction

curated

Interaction Scheme

Molecule

1 adamantane carboxylate
1-adamantane carboxylate

Host

Beta cd
β-CD

Indicator

Untitled
Phenolphthalein

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.60⋅104 ± 600.0 M-1
Kd =
logKa = 4.56 ± 0.01
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -26.01 ± 0.04 -6.22 ± 0.01
ΔH = -25.5 ± 0.8 -6.09 ± 0.19
-TΔS = -0.6 ± 0.7 -0.14 ± 0.17
J mol-1 K-1 cal mol-1 K-1
ΔS = 2.0 ± 2.3 0.5 ± 0.6
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 552.0 nm
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 1-adamantane carboxylate (0.0005555555555555556 M) and β-CD (0 — 0.0011111111111111111 M).