Interaction Scheme

Molecule

3' 4' 7 trimethoxyflavylium ion
Trimethoxyflavylium ion

c = 0.2 µM

Host

Cb7
CB7

c = 0.0 — 6.3 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.54⋅106 ± 3.00⋅105 M-1
Kd =
logKa = 6.19 ± 0.09
T 20.0 °C 293 K
kin= 77000000.0 ± 2000000.0 M-1s-1
kout= 50.0 ± 10.0 s-1
Energy kJ mol-1 kcal mol-1
ΔG = -34.73 ± 0.48 -8.3 ± 0.11
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 470.0 nm
𝛌em = 515.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives hydrochloric acid 1.0 mM
Please find here information about the dataset this interaction is part of.
Citation:

B. Held, H. Tang, P. Natarajan, C. P. da Silva, V. de Oliveira Silva, C. Bohne, F. H. Quina, SupraBank 2022, Cucurbit[7]uril inclusion complexation as a supramolecular strategy for color stabilization of anthocyanin model compounds (dataset). https://doi.org/10.34804/supra.2021092872

Link: https://doi.org/10.34804/supra.2021092872
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

B. Held, H. Tang, P. Natarajan, C. P. da Silva, V. de Oliveira Silva, C. Bohne, F. H. Quina, Photochem. Photobiol. Sci. 2016, 15, 752–757.

Link: https://doi.org/10.1039/c6pp00060f
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Trimethoxyflavylium ion (1.2987012987012988e-05 M) and CB7 (0 — 2.5974025974025975e-05 M).