Interaction

curated

Interaction Scheme

Molecule

%28d l%29 phe perylene diimides
(D/L)-Phe-perylene-diimides

c = 150.0 µM

Host

Beta cd
β-CD

c = 0.0 — 3000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1200.0 ± 400.0 M-1
Kd =
logKa = 3.08 ± NaN
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.58 ± NaN -4.2 ± NaN
ΔH = 0.829 ± 0.07129 0.2 ± 0.02
-TΔS = 16.7 3.99
J mol-1 K-1 cal mol-1 K-1
ΔS = -56.0 -13.4
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: syringe
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 5.0 mM
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, N. Barooah, R. Khurana, N. Padma, A. Bhasikuttan, SupraBank 2024, Redox‐mediated Negative Differential Resistance (NDR) Behavior in Perylenediimide Derivative: A Supramolecular Approach (dataset). https://doi.org/10.34804/supra.20210928154

Link: https://doi.org/10.34804/supra.20210928154
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

R. Khurana, J. Mohanty, N. Padma, N. Barooah, A. C. Bhasikuttan, Chem. Eur. J. 2019, 25, 13939–13944.

Link: https://doi.org/10.1002/chem.201902641
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of (D/L)-Phe-perylene-diimides (0.016666666666666666 M) and β-CD (0 — 0.03333333333333333 M).