Interaction Scheme

Molecule

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

c = 1.0 µM

Host

Cb7
CB7

c = 6.0 µM

Indicator

Untitled
Na+

c = 8000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.06⋅107 ± 5.00⋅105 M-1
Kd =
logKa = 7.03 ± 0.02
T 25.0 °C 298 K
kin= 630000000.0 ± 30000000.0 M-1s-1
kout= 59.4339622641509 ± s-1
Energy kJ mol-1 kcal mol-1
ΔG = -40.1 ± 0.12 -9.58 ± 0.03
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive 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
pH 7.6
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 (R)-1-(2-naphthyl)ethylammonium (1.8867924528301887e-06 M) and CB7 (0 — 3.7735849056603773e-06 M).