Interaction

curated

Interaction Scheme

Molecule

1 adamantanamine
Amantadine

Host

Beta cd
β-CD

Indicator

Untitled
METHYL ORANGE

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.00⋅104 ± 6000.0 M-1
Kd =
logKa = 4.48 ± 0.09
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -25.56 ± 0.5 -6.11 ± 0.12
ΔH = -17.1 ± 2.9 -4.09 ± 0.69
-TΔS = -8.6 ± 2.7 -2.06 ± 0.65
J mol-1 K-1 cal mol-1 K-1
ΔS = 28.8 ± 9.1 6.9 ± 2.2
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 530.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives hydrochloric acid
pH 2.5
Please find here information about the dataset this interaction is part of.
Citation:

R. I. Gelb, L. M. Schwartz, SupraBank 2024, Complexation of adamantane-ammonium substrates by beta-cyclodextrin and itsO-methylated derivatives (dataset). https://doi.org/10.34804/supra.20210928268

Link: https://doi.org/10.34804/supra.20210928268
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

R. I. Gelb, L. M. Schwartz, J Incl Phenom Macrocycl Chem 1989, 7, 537–543.

Link: https://doi.org/10.1007/BF01080464
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Amantadine (0.0006666666666666666 M) and β-CD (0 — 0.0013333333333333333 M).