Interaction

curated

Interaction Scheme

Molecule

Untitled
2,4,6-triphenylpyrylium tetrafluoroborate

c = 10.0 µM

Host

Scx4
sCx4

c = 10.0 — 90.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.45⋅104 M-1
Kd =
logKa = 4.39
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -25.05 -5.99
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

M. Senthilkumaran, R. K. Chitumalla, G. Vigneshkumar, E. Rajkumar, P. Muthu Mareeswaran, J. Jang, SupraBank 2024, Investigation of the upper rim binding of triphenylpyrylium cation with p-sulfonatocalix[4]arene (dataset). https://doi.org/10.34804/supra.20210928286

Link: https://doi.org/10.34804/supra.20210928286
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Senthilkumaran, R. K. Chitumalla, G. Vigneshkumar, E. Rajkumar, P. Muthu Mareeswaran, J. Jang, J Incl Phenom Macrocycl Chem 2018, 91, 161–169.

Link: https://doi.org/10.1007/s10847-018-0809-x
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,4,6-triphenylpyrylium tetrafluoroborate (0.0008163265306122449 M) and sCx4 (0 — 0.0016326530612244899 M).