Interaction

curated

Interaction Scheme

Molecule

Untitled
Diammonium salt b

c = 0.0 — 8000.0 µM

Host

Untitled
24-crown-8 dimer

c = 2000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1100.0 ± 100.0 M-1
Kd =
logKa = 3.04 ± 0.04
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.36 ± 0.23 -4.15 ± 0.05
ΔH = -66.5 -15.89
-TΔS = 49.1 11.74
J mol-1 K-1 cal mol-1 K-1
ΔS = -164.7 -39.4
Comment
10 min interval between each injections.
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: TAM III microcalorimeter
VCell = 800.0 𝜇L
VSyringe = 200.0 𝜇L
cmolecule = 40000.0 𝜇M    syringe
cpartner = 2000.0 𝜇M    cell
Ninjection = 20
Vinjection = 10.0 𝜇L
Vinit = 10.0 𝜇L
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents acetonitrile 68.75 %
chloroform 31.25 %
Please find here information about the dataset this interaction is part of.
Citation:

K. Rissanen, W. Jiang, K. Nowosinski, C. A. Schalley, N. L. Löw, E. V. Dzyuba, F. Klautzsch, A. Schäfer, J. Huuskonen, SupraBank 2024, Chelate Cooperativity and Spacer Length Effects on the Assembly Thermodynamics and Kinetics of Divalent Pseudorotaxanes (dataset). https://doi.org/10.34804/supra.20240613558

Link: https://doi.org/10.34804/supra.20240613558
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

W. Jiang, K. Nowosinski, N. L. Löw, E. V. Dzyuba, F. Klautzsch, A. Schäfer, J. Huuskonen, K. Rissanen, C. A. Schalley, J. Am. Chem. Soc. 2012, 134, 1860–1868.

Link: https://doi.org/10.1021/ja2107096
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Diammonium salt b (0.01818181818181818 M) and 24-crown-8 dimer (0 — 0.03636363636363636 M).