Interaction

curated

Interaction Scheme

Molecule

Pdi bis%28et me2n et oh%29
PDI-Bis(Et-Me2N-Et-OH)

Host

Cb8
CB8

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.00⋅105 ± 9.00⋅104 M-1
Kd =
logKa = 5.3 ± 0.21
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -30.26 ± 1.2 -7.23 ± 0.29
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: cell
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:

W. M. Nau, O. A. Scherman, F. Biedermann, E. Elmalem, I. Ghosh, SupraBank 2024, Strongly Fluorescent, Switchable Perylene Bis(diimide) Host-Guest Complexes with Cucurbit[8]uril In Water (dataset). https://doi.org/10.34804/supra.2021092847

Link: https://doi.org/10.34804/supra.2021092847
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

F. Biedermann, E. Elmalem, I. Ghosh, W. M. Nau, O. A. Scherman, Angew. Chem. Int. Ed. 2012, 51, 7739–7743.

Link: https://doi.org/10.1002/anie.201202385
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of PDI-Bis(Et-Me2N-Et-OH) (0.0001 M) and CB8 (0 — 0.0002 M).