Interaction

curated

Interaction Scheme

Molecule

1 8 ans
1,8-ANS

Host

Beta cd
β-CD

c = 10000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 80.0 ± 25.0 M-1
Kd =
logKa = 1.9 ± 0.14
T 21.0 °C ≈ 294 K
Energy kJ mol-1 kcal mol-1
ΔG = -10.72 ± 0.79 -2.56 ± 0.19
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 325.0 nm
𝛌em = 440.0 nm
Ibound⁄Ifree = 7.6
Detailed information about the solvation.
Solvent System Buffer System phosphate pH-6.8
Solvents water
Source of Concentration
pH 6.8
Please find here information about the dataset this interaction is part of.
Citation:

B. D. Wagner, S. J. Fitzpatrick, SupraBank 2024, A Comparison of the Host–Guest Inclusion Complexes of 1,8-ANS and 2,6-ANS in Parent and Modified Cyclodextrins - Journal of Inclusion Phenomena and Macrocyclic Chemistry (dataset). https://doi.org/10.34804/supra.20211007405

Link: https://doi.org/10.34804/supra.20211007405
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

B. D. Wagner, S. J. Fitzpatrick, Journal of Inclusion Phenomena and Macrocyclic Chemistry 2000, 38, 467–478.

Link: https://doi.org/10.1023/A:1008198825835
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,8-ANS (0.25 M) and β-CD (0 — 0.5 M).