Interaction

curated

Interaction Scheme

Molecule

7 methoxy 4 methylflavylium cation
7-Methoxy-4-methylflavylium cation

c = 0.2 µM

Host

Cb7
CB7

c = 0.0 — 22.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 9.00⋅105 ± 2.00⋅105 M-1
Kd =
logKa = 5.95 ± 0.1
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -33.99 ± 0.56 -8.12 ± 0.13
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 416.0 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 2024, 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 7-Methoxy-4-methylflavylium cation (2.2222222222222223e-05 M) and CB7 (0 — 4.4444444444444447e-05 M).