Interaction

curated

Interaction Scheme

Molecule

Untitled
Sodium hexafluoroantimonate

c = 200.0 µM

Host

Cyclohexanohemicucurbit 8 uril
Cyclohexanohemi cucurbit[8]uril

c = 0.0 — 500.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.02⋅105 ± 3000.0 M-1
Kd =
logKa = 5.01 ± 0.01
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -28.59 ± 0.07 -6.83 ± 0.02
ΔH = -56.2 ± 0.3 -13.43 ± 0.07
-TΔS = 27.66832 6.61
J mol-1 K-1 cal mol-1 K-1
ΔS = -92.8 -22.2
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: cell
Partner: syringe
Detailed information about the solvation.
Solvent System Single Solvent
Solvent methanol
Please find here information about the dataset this interaction is part of.
Citation:

S. Kaabel, J. Adamson, F. Topić, A. Kiesilä, E. Kalenius, M. Öeren, M. Reimund, E. Prigorchenko, A. Lookene, H. J. Reich, K. Rissanen, R. Aav, SupraBank 2024, Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution (dataset). https://doi.org/10.34804/supra.2021092854

Link: https://doi.org/10.34804/supra.2021092854
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Kaabel, J. Adamson, F. Topić, A. Kiesilä, E. Kalenius, M. Öeren, M. Reimund, E. Prigorchenko, A. Lõokene, H. J. Reich, et al., Chem. Sci. 2017, 8, 2184–2190.

Link: https://doi.org/10.1039/c6sc05058a
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium hexafluoroantimonate (0.000196078431372549 M) and Cyclohexanohemi cucurbit[8]uril (0 — 0.000392156862745098 M).