Interaction

curated

Interaction Scheme

Molecule

N phenyl 2 naphthylammonium cation
N-Phenyl-2-naphthylammonium cation

c = 0.5 µM

Host

Cb7
CB7

c = 0.0 — 25.0 µM

Indicator

Untitled
Na+

c = 2000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.00⋅105 ± 3.00⋅104 M-1
Kd =
logKa = 5.48 ± 0.04
T 20.0 °C ≈ 293 K
kin= 11600000.0 ± 200000.0 M-1s-1
kout= 38.6666666666667 ± s-1
Energy kJ mol-1 kcal mol-1
ΔG = -30.74 ± 0.24 -7.35 ± 0.06
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 303.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
hydrochloric acid
pH 1.8
Please find here information about the dataset this interaction is part of.
Citation:

H. Tang, S. S. Thomas, C. Bohne, SupraBank 2024, Noninnocent Role of Na+ Ions in the Binding of the N-Phenyl-2-naphthylammonium Cation as a Ditopic Guest with Cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.20210928316

Link: https://doi.org/10.34804/supra.20210928316
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. S. Thomas, H. Tang, C. Bohne, J. Am. Chem. Soc. 2019, 141, 9645–9654.

Link: https://doi.org/10.1021/jacs.9b03691
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of N-Phenyl-2-naphthylammonium cation (6.666666666666667e-05 M) and CB7 (0 — 0.00013333333333333334 M).