The temperature-dependence of host–guest binding thermodynamics: experimental and simulation studies

Chem. Sci., 2023, Advance Article
DOI: 10.1039/D3SC01975F, Edge Article
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Laura M. Grimm, Jeffry Setiadi, Boryslav Tkachenko, Peter R. Schreiner, Michael K. Gilson, Frank Biedermann
Through isothermal titration calorimetry (ITC) and molecular dynamics (MD) simulations, we demonstrate that negative changes in heat capacity (ΔCp,b) are a unifying feature for both the classical and non-classical hydrophobic effect.
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