Interaction Scheme

Molecule

Fenchol
Fenchol

c = 0.0 — 50.0 µM

Host

Cb7
CB7

c = 17.7 µM

Indicator

Sodium %28e%29 4 %284 %283 %284 %28diethylamino%29phenyl%29acryloyl%29phenoxy%29butane 1 sulfonate
Sodium (E)-4-(4-(3-(4-(diethylamino)phenyl)acry...

c = 7.4 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 8.60⋅106 M-1
Kd =
logKa = 6.93
T 25.0 °C 298 K
kin= ± M-1s-1
kout= 0.0 ± s-1
Energy kJ mol-1 kcal mol-1
ΔG = -39.58 -9.46
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 505.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water 99.8 %
ethanol 0.2 %
pH 9.0
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 2022, 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
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Fenchol (2.325581395348837e-06 M) and CB7 (0 — 4.651162790697674e-06 M).