Interaction

curated

Interaction Scheme

Molecule

1 v2
1-V2+

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5.90⋅105 M-1
Kd =
logKa = 5.77
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -32.94 -7.87
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 260.0 nm
Detailed information about the solvation.
Solvent System Buffer System 0.2 M Formic acid buffer, pH 3.2
Solvents water
Source of Concentration
Total concentration 200.0 mM
pH 3.2
Please find here information about the dataset this interaction is part of.
Citation:

A. E. Kaifer, W. Ong, SupraBank 2024, Molecular Encapsulation by Cucurbit[7]uril of the Apical 4,4′‐Bipyridinium Residue in Newkome‐Type Dendrimers (dataset). https://doi.org/10.34804/supra.20240311514

Link: https://doi.org/10.34804/supra.20240311514
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

W. Ong, A. E. Kaifer, Angew. Chem. Int. Ed. 2003, 42, 2164–2167.

Link: https://doi.org/DOI:%2010.1002/anie.200250214
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-V2+ (3.389830508474576e-05 M) and CB7 (0 — 6.779661016949152e-05 M).