Interaction

curated

Interaction Scheme

Molecule

1 adamantanecarboxylic acid
1-carboxyadamantane

c = 0.0 — 993.0 µM

Host

Octa acid
Octa acid

c = 150.0 µM

Cofactor

Untitled
Sodium sulfate

c = 100000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.00⋅107 ± M-1
Kd =
logKa = 7.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -39.96 ± NaN -9.55 ± NaN
ΔH = -37.7 -9.01
-TΔS = -2.5 -0.6
J mol-1 K-1 cal mol-1 K-1
ΔS = 8.4 2.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Cofactor: syringe
Detailed information about the solvation.
Solvent System Buffer System 10 mM phosphate pH-11.3
Solvents water
Additives Disodium phosph... 8.0 mM
Trisodium phosp... 2.0 mM
Source of Concentration
Total concentration 10.0 mM
pH 11.3
Please find here information about the dataset this interaction is part of.
Citation:

C. L. D. Gibb, B. C. Gibb, SupraBank 2024, Anion Binding to Hydrophobic Concavity Is Central to the Salting-in Effects of Hofmeister Chaotropes (dataset). https://doi.org/10.34804/supra.2021092834

Link: https://doi.org/10.34804/supra.2021092834
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

C. L. D. Gibb, B. C. Gibb, J. Am. Chem. Soc. 2011, 133, 7344–7347.

Link: https://doi.org/10.1021/ja202308n
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-carboxyadamantane (2.0e-06 M) and Octa acid (0 — 4.0e-06 M).