Interaction

curated

Interaction Scheme

Molecule

%e6%8d%95%e8%8e%b7
BPTA-PBI

c = 5.7 µM

Host

Sulfocalix 5 arene
sCx5

c = 0.0 — 2.5 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5.90⋅106 M-1
Kd =
logKa = 6.77
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -38.65 -9.24
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 500.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, Y. Liu, B. Jiang, X. Wang, SupraBank 2024, Calixarene-induced aggregation of perylene bisimides (dataset). https://doi.org/10.34804/supra.20210928189

Link: https://doi.org/10.34804/supra.20210928189
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

D.-S. Guo, B.-P. Jiang, X. Wang, Y. Liu, Org. Biomol. Chem. 2012, 10, 720–723.

Link: https://doi.org/10.1039/C2OB06973C
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of BPTA-PBI (3.3898305084745763e-06 M) and sCx5 (0 — 6.779661016949153e-06 M).