Interaction

curated

Interaction Scheme

Molecule

Untitled
gly-l-asn

Host

Cb6
CB6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 660.69 ± 45.68 M-1
Kd =
logKa = 2.82 ± 0.03
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -16.1 ± 0.17 -3.85 ± 0.04
ΔH = -3.2 ± 0.5 -0.76 ± 0.12
-TΔS = -12.9 ± 0.7 -3.08 ± 0.17
J mol-1 K-1 cal mol-1 K-1
ΔS = 43.3 ± 2.3 10.3 ± 0.6
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 gly-l-asn (0.030271382948129984 M) and CB6 (0 — 0.06054276589625997 M).