Interaction Scheme
Molecule
1-Adamantylammonium chloride
Host
β-CD
Indicator
METHYL ORANGE
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 8900.0 | ± 1100.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -22.54 | ± 0.31 | -5.39 | ± 0.07 |
| ΔH | = | -24.7 | ± 2.1 | -5.9 | ± 0.5 |
| -TΔS | = | 2.2 | ± 1.9 | 0.53 | ± 0.45 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -7.4 | ± 6.4 | -1.8 | ± 1.5 |
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 |
| Export: | BibTex | RIS | EndNote |
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 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-Adamantylammonium chloride (0.0022471910112359553 M) and β-CD (0 — 0.0044943820224719105 M).
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