Interaction

curated

Interaction Scheme

Molecule

Antnme2pegome
AntNMe2+-2kPEG

c ≈ 0.0 — 200.0 µM

Host

Cb8
CB8

c = 40.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 8.00⋅104 ± 1.00⋅104 M-1
Kd =
logKa = 4.9 ± 0.05
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -27.99 ± 0.31 -6.69 ± 0.07
Comment
homoternary complex. K1 and K2 fitted from same isotherm (titration guest to host)
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: MicroCal VP-ITC
VCell = 1400.0 𝜇L
VSyringe = 350.0 𝜇L
cmolecule = 1000.0 𝜇M    syringe
cpartner = 40.0 𝜇M    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:

O. A. Scherman, F. Biedermann, I. Ross, SupraBank 2024, Host–guest accelerated photodimerisation of anthracene-labeled macromolecules in water (dataset). https://doi.org/10.34804/supra.20220629453

Link: https://doi.org/10.34804/supra.20220629453
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

F. Biedermann, I. Ross, O. A. Scherman, Polym. Chem. 2014, 5, 5375.

Link: https://doi.org/10.1039/C4PY00627E
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of AntNMe2+-2kPEG (0.00025 M) and CB8 (0 — 0.0005 M).