Interaction Scheme

Molecule

Untitled
styrylcoumarin-1

c = 200.0 µM

Host

Cb7
CB7

c = 0.0 — 600.0 µM

Binding Properties

𝜈 Molecule 1 : 2 Host
Ka = 1.20⋅1010 ± 7.42⋅107 M-2
Kd =
logKa = 10.08 ± 0.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -57.52 ± 0.02 -13.75 ± 0.0
ΔH = -35.12 ± 0.738 -8.39 ± 0.18
-TΔS = 22.36 5.34
J mol-1 K-1 cal mol-1 K-1
ΔS = -75.0 -17.9
Comment
Please check thermodynamic parameters.
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: cell
Partner: syringe
Detailed information about the solvation.
Solvent System Buffer System 10 mM tris pH-7.4
Solvents water
Additives Trometamol 10.0 mM
hydrochloric acid
Source of Concentration
Total concentration 10.0 mM
pH 7.4
Solubility 0.5 mM
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, N. Barooah, R. Khurana, P. Jana, T. Mukherjee, V. Soppina, S. Kanvah, SupraBank 2022, Fluorescence enhancement of cationic styrylcoumarin-cucurbit[7]uril complexes: Enhanced stability and cellular membrane localization (dataset). https://doi.org/10.34804/supra.20210928117

Link: https://doi.org/10.34804/supra.20210928117
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

P. Jana, T. Mukherjee, R. Khurana, N. Barooah, V. Soppina, J. Mohanty, S. Kanvah, Journal of Photochemistry and Photobiology A: Chemistry 2019, 384, 112062.

Link: https://doi.org/10.1016/j.jphotochem.2019.112062
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of styrylcoumarin-1 (1.6729401923881222e-09 M) and CB7 (0 — 3.3458803847762443e-09 M).