Interaction

curated

Interaction Scheme

Molecule

1 8 ans
1,8-ANS

Host

Alpha cd
α-CD

c = 10000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka < 20.0 ± M-1
Kd <
logKa < 1.3 ± 0.0
T 21.0 °C ≈ 294 K
Energy kJ mol-1 kcal mol-1
ΔG > -7.33 ± 0.0 -1.75 ± 0.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 335.0 nm
𝛌em = 500.0 nm
Ibound⁄Ifree = 1.6
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 2025, 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 (1.0 M) and α-CD (0 — 2.0 M).