Interaction

curated

Interaction Scheme

Molecule

Untitled
1-Iodopentane

c = 0.0 — 120000.0 µM

Host

Peri methyl mb
tpMe-PE-MB

c = 1000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 10.0 M-1
Kd =
logKa = 1.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -5.71 -1.36
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Detailed information about the solvation.
Solvent System Single Solvent
Solvent Dimethyl sulfoxide-d6
Please find here information about the dataset this interaction is part of.
Citation:

C. L. D. Gibb, B. C. Gibb, Z. R. Laughrey, T. Senechal, SupraBank 2024, Guest Binding and Orientation within Open Nanoscale Hosts (dataset). https://doi.org/10.34804/supra.20210928166

Link: https://doi.org/10.34804/supra.20210928166
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Z. R. Laughrey, C. L. D. Gibb, T. Senechal, B. C. Gibb, Chem. Eur. J. 2003, 9, 130–139.

Link: https://doi.org/10.1002/chem.200390008
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-Iodopentane (2.0 M) and tpMe-PE-MB (0 — 4.0 M).