Interaction Scheme

Molecule

3 7 diaminophenoxazinylium chloride
3,7-Diaminophenoxazinylium chloride

c = 1.0 µM

Host

Cb7
CB7

c = 0.0 — 6.25 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.21⋅107 ± 1.60⋅106 M-1
Kd =
logKa = 7.08 ± 0.06
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -40.43 ± 0.33 -9.66 ± 0.08
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives hydrochloric acid
pH 5.5
Please find here information about the dataset this interaction is part of.
Citation:

P. Montes-Navajas, A. Corma, H. Garcia, SupraBank 2022, Complexation and Fluorescence of Tricyclic Basic Dyes Encapsulated in Cucurbiturils (dataset). https://doi.org/10.34804/supra.2021092824

Link: https://doi.org/10.34804/supra.2021092824
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

P. Montes-Navajas, A. Corma, H. Garcia, ChemPhysChem 2008, 9, 713–720.

Link: https://doi.org/10.1002/cphc.200700735
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 3,7-Diaminophenoxazinylium chloride (1.652892561983471e-06 M) and CB7 (0 — 3.305785123966942e-06 M).