Interaction

curated

Interaction Scheme

Molecule

G17
(3s,5s,7s)-N,N,N-trimethyladamantan-1-aminium

c = 0.0 — 50.0 µM

Host

Corralarenes
Corral[5]arene

c = 2.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.58⋅105 ± 2.70⋅104 M-1
Kd =
logKa = 5.2 ± 0.07
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -29.67 ± 0.43 -7.09 ± 0.1
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 310.0 nm
𝛌em = 393.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent chloroform
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, K. Cai, F. Stoddart, H. Han, R. Fu, R. Wang, C. Tang, M. He, J. Deng, SupraBank 2024, Corralarenes: A Family of Conjugated Tubular Hosts (dataset). https://doi.org/10.34804/supra.20221128465

Link: https://doi.org/10.34804/supra.20221128465
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Han, R. Fu, R. Wang, C. Tang, M.-M. He, J.-Y. Deng, D.-S. Guo, J. F. Stoddart, K. Cai, J. Am. Chem. Soc. 2022, 144, 20351–20362.

Link: https://doi.org/10.1021/jacs.2c08144
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of (3s,5s,7s)-N,N,N-trimethyladamantan-1-aminium (0.00012658227848101267 M) and Corral[5]arene (0 — 0.00025316455696202533 M).