Interaction

curated

Interaction Scheme

Molecule

Ca2
Ca2+

c = 0.0 — 80000.0 µM

Host

Cb7
CB7

c = 50.0 µM

Indicator

Tetrakis%28pyridin 4 ylsulfanyl%29 phthalocyaninato zinc%28ii%29
Tetrakis(pyridin-4-ylsulfanyl)-phthalocyaninato...

c = 0.8 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1400.0 ± 100.0 M-1
Kd =
logKa = 3.15 ± 0.03
T 23.0 °C ≈ 296 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.84 ± 0.18 -4.26 ± 0.04
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 674.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

U. Pischel, V. F. Pais, E. F. Carvalho, J. P. Tomé, SupraBank 2024, Supramolecular control of phthalocyanine dye aggregation (dataset). https://doi.org/10.34804/supra.2021092891

Link: https://doi.org/10.34804/supra.2021092891
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

V. F. Pais, E. F. A. Carvalho, J. P. C. Tomé, U. Pischel, Supramolecular Chemistry 2014, 26, 642–647.

Link: https://doi.org/10.1080/10610278.2014.926011
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Ca2+ (0.014285714285714285 M) and CB7 (0 — 0.02857142857142857 M).