Interaction Scheme

Molecule

1 8 ans
1,8-ANS

Host

Heptakis o %282 hydroxypropyl%29 beta cyclodextrin
heptakis-O-(2-hydroxypropyl)-β Cyclodextrin

c = 10000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 480.0 ± 80.0 M-1
Kd =
logKa = 2.68 ± 0.07
T 21.0 °C 294 K
Energy kJ mol-1 kcal mol-1
ΔG = -15.1 ± 0.41 -3.61 ± 0.1
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
IboundIfree = 104.0
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 (0.041666666666666664 M) and heptakis-O-(2-hydroxypropyl)-β Cyclodextrin (0 — 0.08333333333333333 M).