Interaction

curated

Interaction Scheme

Molecule

Untitled
beta-Pinene

c = 0.0 — 200.0 µM

Host

Cb7
CB7

c = 10.0 µM

Indicator

Untitled
N-(4-(cyclohepta-2,4,6-trien-1-ylidene)cyclohex...

c = 10.0 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: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 563.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water 99.6 %
ethanol 0.4 %
Additives Sodium acetate 10.0 mM
pH 4.0
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 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
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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 beta-Pinene (2.0 M) and CB7 (0 — 4.0 M).