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

Author:

Grimm Laura M.1ORCID,Setiadi Jeffry2ORCID,Tkachenko Boryslav3,Schreiner Peter R.3ORCID,Gilson Michael K.2ORCID,Biedermann Frank1ORCID

Affiliation:

1. Institute of Nanotechnology (INT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz Platz 1, 76344 Eggenstein-Leopoldshafen, Germany

2. Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, 9255 Pharmacy Lane, La Jolla, CA 92093, USA

3. Institute of Organic Chemistry, Justus Liebig University Giessen, Heinrich-Buff-Ring 17, 35392 Giessen, Germany

Abstract

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.

Funder

Deutsche Forschungsgemeinschaft

National Institute of General Medical Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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