Interaction

curated

Interaction Scheme

Molecule

Diamantane diammonium 6
Diamantane diammonium-6

c = 0.0 — 363.8 µM

Host

Cb7
CB7

c = 253.9 µM

Indicator

1 adamantylpyridinium bromide
1-Adamantylpyridinium bromide

c = 209800.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.90⋅1015 ± 4.00⋅1014 M-1
Kd =
logKa = 15.28 ± 0.09
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -87.21 ± 0.53 -20.84 ± 0.13
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Δδbound = 0.07 ppm
Detailed information about the solvation.
Solvent System Buffer System 50 mM deuterated acetate pD-4.7
Solvents Deuterium Oxide 100.0 %
Additives Na-2,2,2-trideu... 50.0 mM
Source of Concentration estimated
Total concentration 50.0 mM
pH 4.3
Please find here information about the dataset this interaction is part of.
Citation:

L. Isaacs, P. Y. Zavalij, L. Cao, M. Šekutor, K. Mlinarić-Majerski, R. Glaser, SupraBank 2024, Cucurbit[7]uril⋅Guest Pair with an Attomolar Dissociation Constant (dataset). https://doi.org/10.34804/supra.20210928245

Link: https://doi.org/10.34804/supra.20210928245
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

L. Cao, M. Šekutor, P. Y. Zavalij, K. Mlinarić-Majerski, R. Glaser, L. Isaacs, Angew. Chem. Int. Ed. 2014, 53, 988–993.

Link: https://doi.org/10.1002/anie.201309635
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Diamantane diammonium-6 (1.0526315789473684e-14 M) and CB7 (0 — 2.1052631578947368e-14 M).