Interaction

curated

Interaction Scheme

Molecule

Untitled
Na+

c = 8000.0 µM

Host

Cb7
CB7

c = 6.0 µM

Cofactor

Untitled
(R)-1-(2-naphthyl)ethylammonium

c = 1.0 µM

Binding Properties

𝜈 Molecule 2 : 1 Host
Ka = 2730.0 M-2
Kd =
logKa = 3.44
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -19.61 -4.69
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
𝛌ex = 280.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives hydrochloric acid 1.0 mM
Please find here information about the dataset this interaction is part of.
Citation:

K. Kim, H. Tang, C. Bohne, Y. H. Ko, D. Fuentealba, N. Selvapalam, SupraBank 2024, Guest Binding Dynamics with Cucurbit[7]uril in the Presence of Cations (dataset). https://doi.org/10.34804/supra.2021092898

Link: https://doi.org/10.34804/supra.2021092898
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Tang, D. Fuentealba, Y. H. Ko, N. Selvapalam, K. Kim, C. Bohne, J. Am. Chem. Soc. 2011, 133, 20623–20633.

Link: https://doi.org/10.1021/ja209266x
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Na+ (0.007326007326007326 M) and CB7 (0 — 0.014652014652014652 M).