Interaction Scheme

Molecule

Untitled
L-Leu-L-Val

Host

Cb6
CB6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 616.6 ± 14.2 M-1
Kd =
logKa = 2.79 ± 0.01
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -15.93 ± 0.06 -3.81 ± 0.01
ΔH = -2.1 ± 0.3 -0.5 ± 0.07
-TΔS = -13.7 ± 0.2 -3.27 ± 0.05
J mol-1 K-1 cal mol-1 K-1
ΔS = 46.0 ± 0.7 11.0 ± 0.2
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: 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-Leu-L-Val (0.03243593902043464 M) and CB6 (0 — 0.06487187804086927 M).