Accounting for apparent deviations between calorimetric and van't Hoff enthalpies.

ABSTRACT: BACKGROUND:In theory, binding enthalpies directly obtained from calorimetry (such as ITC) and the temperature dependence of the binding free energy (van't Hoff method) should agree. However, previous studies have often found them to be discrepant. METHODS:Experimental binding enthalpies (both calorimetric and van't Hoff) are obtained for two host-guest pairs using ITC, and the discrepancy between the two enthalpies is examined. Modeling of artificial ITC data is also used to examine how different sources of error propagate to both types of binding enthalpies. RESULTS:For the host-guest pairs examined here, good agreement, to within about 0.4kcal/mol, is obtained between the two enthalpies. Additionally, using artificial data, we find that different sources of error propagate to either enth

SUBMITTER: Kantonen SA 

PROVIDER: S-EPMC5851798 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature