Interaction Scheme

Molecule

%e6%8d%95%e8%8e%b7
HBV4+

Host

Bis scx4
bis-sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.15⋅106 ± 1.00⋅104 M-1
Kd =
logKa = 6.06 ± 0.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -34.59 ± 0.02 -8.27 ± 0.0
ΔH = -29.6 ± 0.2 -7.07 ± 0.05
-TΔS = -4.96 ± 0.18 -1.19 ± 0.04
J mol-1 K-1 cal mol-1 K-1
ΔS = 16.6 ± 0.6 4.0 ± 0.1
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: syringe
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

H. Qian, Y. Liu, D. Guo, SupraBank 2024, Cucurbituril‐Modulated Supramolecular Assemblies: From Cyclic Oligomers to Linear Polymers (dataset). https://doi.org/10.34804/supra.20210928194

Link: https://doi.org/10.34804/supra.20210928194
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Qian, D. S. Guo, Y. Liu, Chem. Eur. J. 2012, 18, 5087–5095.

Link: https://doi.org/10.1002/chem.201101904
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of HBV4+ (1.7391304347826085e-05 M) and bis-sCx4 (0 — 3.478260869565217e-05 M).