Interaction

curated

Interaction Scheme

Molecule

Untitled
L-Val

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1584.89 ± M-1
Kd =
logKa = 3.2 ± 0.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -18.27 ± 0.0 -4.37 ± 0.0
ΔH = -46.7 ± 1.7 -11.16 ± 0.41
-TΔS = 28.5 ± 1.8 6.81 ± 0.43
J mol-1 K-1 cal mol-1 K-1
ΔS = -95.6 ± 6.0 -22.8 ± 1.4
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
Please find here information about the dataset this interaction is part of.
Citation:

H. Buschmann, L. Mutihac, E. Schollmeyer, SupraBank 2024, Complexation of Some Amino Acids and Peptides by p-Sulfonatocalix[4]arene and Hexasodium p-Sulfonatocalix[6]arene in Aqueous Solution (dataset). https://doi.org/10.34804/supra.20210928235

Link: https://doi.org/10.34804/supra.20210928235
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H.-J. Buschmann, L. Mutihac, E. Schollmeyer, Journal of Inclusion Phenomena and Macrocyclic Chemistry 2003, 46, 133–137.

Link: https://doi.org/10.1023/A:1026361017680
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Val (0.012619172308488285 M) and sCx4 (0 — 0.02523834461697657 M).