Interaction

curated

Interaction Scheme

Molecule

L ala
L-Alanine

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1659.59 ± 76.45 M-1
Kd =
logKa = 3.22 ± 0.02
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -18.38 ± 0.11 -4.39 ± 0.03
ΔH = -30.4 ± 0.09 -7.27 ± 0.02
-TΔS = 12.0 ± 1.3 2.87 ± 0.31
J mol-1 K-1 cal mol-1 K-1
ΔS = -40.2 ± 4.4 -9.6 ± 1.0
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-Alanine (0.012051169264697908 M) and sCx4 (0 — 0.024102338529395816 M).