Interaction

curated

Interaction Scheme

Molecule

Untitled
L-Val

Host

Cb6
CB6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1412.54 M-1
Kd =
logKa = 3.15
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.98 -4.3
ΔH = -4.5 -1.08
-TΔS = -13.4 -3.2
J mol-1 K-1 cal mol-1 K-1
ΔS = 44.9 10.7
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 Complex Mixture
Solvents water 50.0 %
Formic acid 50.0 %
Please find here information about the dataset this interaction is part of.
Citation:

A. D. Stancu, H. Buschmann, L. Mutihac, SupraBank 2024, Survey on thermodynamic properties for the complexation behaviour of some calixarene and cucurbituril receptors (dataset). https://doi.org/10.34804/supra.20210928271

Link: https://doi.org/10.34804/supra.20210928271
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. D. Stancu, H.-J. Buschmann, L. Mutihac, J Incl Phenom Macrocycl Chem 2012, 75, 1–10.

Link: https://doi.org/10.1007/s10847-012-0137-5
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Val (0.014158891075650956 M) and CB6 (0 — 0.02831778215130191 M).