Interaction

curated

Interaction Scheme

Molecule

D l ala
D/L-Ala

Host

Scx6
sCx6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 65.0 ± 16.0 M-1
Kd =
logKa = 1.81 ± 0.11
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -10.35 ± 0.62 -2.47 ± 0.15
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water 95.0 %
Deuterium Oxide 5.0 %
pH 8.0
Please find here information about the dataset this interaction is part of.
Citation:

E. Da Silva, A. W. Coleman, SupraBank 2024, Synthesis and complexation properties towards amino acids of mono-substituted p-sulphonato-calix-[n]-arenes (dataset). https://doi.org/10.34804/supra.2021092817

Link: https://doi.org/10.34804/supra.2021092817
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

E. Da Silva, A. W. Coleman, Tetrahedron 2003, 59, 7357–7364.

Link: https://doi.org/10.1016/S0040-4020(03)01137-2
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of D/L-Ala (0.3076923076923077 M) and sCx6 (0 — 0.6153846153846154 M).