ArticleThe journal of physical chemistry. B2013
Experimental support for a desolvation energy term in governing equations for binding equilibria.
Article in The journal of physical chemistry. B, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Generating, visualizing and tuning π-π interactions in metal-induced supramolecular assembly.CrystEngComm · 2026Article
- Catalytic and Photoluminescence Properties of the First- and Second-Sphere Coordination of Lanthanide Complexes.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Solvation free energy in governing equations for DNA hybridization, protein-ligand binding, and protein folding.FEBS open bio · 2024Article
- Interactions of a Novel Anthracycline with Oligonucleotide DNA and Cyclodextrins in an Aqueous Environment.The journal of physical chemistry. B · 2024Article
- Dual Effect of Secondary Solutes on Binding Equilibria: Contributions from Solute-Reactant Interactions and Solute-Water Interactions.ACS omega · 2024Article
- Light, Water, and Melatonin: The Synergistic Regulation of Phase Separation in Dementia.International journal of molecular sciences · 2023Review
- Thermodynamic Contribution of Water in Cryptophane Host-Guest Binding Reaction.The journal of physical chemistry. B · 2020Article
- Estimation of non-constant variance in isothermal titration calorimetry using an ITC measurement model.PloS one · 2020Article
- Obtaining precise and accurate results by ITC.European biophysics journal : EBJ · 2019Article
- Accounting for apparent deviations between calorimetric and van't Hoff enthalpies.Biochimica et biophysica acta. General subjects · 2018Article
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Authors and funding
2 authors.
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Abstract
This study introduces a new thermodynamic framework for aqueous reaction equilibria that treats water as a coreactant in the development of a general binding equation. The approach features an explicit consideration for the change in hydration that occurs when two solvated surfaces come into contact. As an outcome of this framework, the standard-state free energy of binding is defined by the summation of two terms: the traditional term (-RT ln Ki) plus a desolvation free-energy term that is weighted by the number of complexes formed at equilibrium. The new formalism suggests that the equilibrium ratio, Ki, is not a constant and that the observed concentration dependence of Ki may be used to obtain the molar desolvation energy and the standard-state free energy at infinite dilution. The governing equation is supported by results from isothermal titration calorimetry using the chelation of calcium(II) by EDTA as a model binding reaction. This work may have far-reaching implications for solution thermodynamics, including an explanation for the oft-noted discrepancy between the enthalpy values obtained by calorimetry and those from the van't Hoff approach.
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