Interaction Scheme

Molecule

L phenylalanine
L-Phe

c = 0.0 — 260.0 µM

Host

Cb7
CB7

c = 163.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.78⋅106 ± 7.00⋅104 M-1
Kd =
logKa = 6.25 ± 0.02
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -35.68 ± 0.1 -8.53 ± 0.02
ΔH = -43.43 ± 0.1 -10.38 ± 0.02
-TΔS = 7.75 1.85
J mol-1 K-1 cal mol-1 K-1
ΔS = -26.0 -6.2
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: MircoCal VP-ITC
VCell = 1400.0 𝜇L
VSyringe = 350.0 𝜇L
cmolecule = 2500.0 𝜇M    syringe
cpartner = 163.0 𝜇M    cell
Ninjection = 17
Vinjection = 10.0 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:

A. E. Kaifer, V. Sindelar, M. V. Rekharsky, Y. Inoue, K. Kim, Y. H. Ko, N. Selvapalam, W. S. Jeon, K. Moon, S. H. Park, H. Chun, J. Y. Lee, E. S. Lee, S. Samal, D. Sobransingh, SupraBank 2022, Complexation of Ferrocene Derivatives by the Cucurbit[7]uril Host:  A Comparative Study of the Cucurbituril and Cyclodextrin Host Families (dataset). https://doi.org/10.34804/supra.20210928320

Link: https://doi.org/10.34804/supra.20210928320
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

W. S. Jeon, K. Moon, S. H. Park, H. Chun, Y. H. Ko, J. Y. Lee, E. S. Lee, S. Samal, N. Selvapalam, M. V. Rekharsky, et al., J. Am. Chem. Soc. 2005, 127, 12984–12989.

Link: https://doi.org/10.1021/ja052912c
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Phe (1.1235955056179776e-05 M) and CB7 (0 — 2.2471910112359552e-05 M).