Interaction

curated

Interaction Scheme

Molecule

Sodium deoxycholate
Sodium deoxycholate

c = 100.0 — 520.0 µM

Host

Mono%286 carboxymethylamino 6 deoxy%29 beta cd
Mono(6-carboxymethylamino-6-deoxy)-β-CD

c = 1990.0 — 4160.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4034.0 ± 15.0 M-1
Kd =
logKa = 3.61 ± 0.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -20.58 ± 0.01 -4.92 ± 0.0
ΔH = -38.91 ± 0.02 -9.3 ± 0.0
-TΔS = 18.33 4.38
J mol-1 K-1 cal mol-1 K-1
ΔS = -61.5 -14.7
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: cell
Partner: syringe
Detailed information about the solvation.
Solvent System Buffer System 100 mM phosphate pH-7.2
Solvents water
Additives Sodium dihydrog...
Disodium hydrog...
Source of Concentration
Total concentration 100.0 mM
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

Y. Liu, L. Wang, H. Zhang, Y. Yang, R. Cao, S. Song, SupraBank 2024, Thermodynamic Origin of Molecular Selective Binding of Bile Salts by Aminated β-Cyclodextrins (dataset). https://doi.org/10.34804/supra.20210928228

Link: https://doi.org/10.34804/supra.20210928228
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Y. Liu, Y.-W. Yang, R. Cao, S.-H. Song, H.-Y. Zhang, L.-H. Wang, J. Phys. Chem. B 2003, 107, 14130–14139.

Link: https://doi.org/10.1021/jp036366q
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium deoxycholate (0.00495785820525533 M) and Mono(6-carboxymethylamino-6-deoxy)-β-CD (0 — 0.00991571641051066 M).