Interaction

curated

Interaction Scheme

Molecule

Fenchol
Fenchol

c = 98.0 µM

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4.80⋅106 M-1
Kd =
logKa = 6.68
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -38.14 -9.12
ΔH = -42.3 -10.11
-TΔS = 4.1 0.98
J mol-1 K-1 cal mol-1 K-1
ΔS = -13.8 -3.3
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: Nano ITC
VCell = 1000.0 𝜇L
VSyringe = 250.0 𝜇L
Molecule: syringe
Partner: cell
Ninjection = 50
Vinit = 5.0 𝜇L
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

M. A. Romero, J. A. González-Delgado, J. F. Arteaga, N. Basílio, U. Pischel, A. J. Moro, M. Domingues, SupraBank 2024, Photocaged Competitor Guests: A General Approach Toward Light-Activated Cargo Release From Cucurbiturils (dataset). https://doi.org/10.34804/supra.20210928128

Link: https://doi.org/10.34804/supra.20210928128
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. A. Romero, N. Basílio, A. J. Moro, M. Domingues, J. A. González-Delgado, J. F. Arteaga, U. Pischel, Chem. Eur. J. 2017, 23, 13105–13111.

Link: https://doi.org/10.1002/chem.201702185
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Fenchol (4.166666666666667e-06 M) and CB7 (0 — 8.333333333333334e-06 M).