Theory and Examples of Catch Bonds

J Phys Chem B. 2024 May 2;128(17):4097-4110. doi: 10.1021/acs.jpcb.4c00468. Epub 2024 Apr 18.

Abstract

We discuss slip bonds, catch bonds, and the tug-of-war mechanism using mathematical arguments. The aim is to explain the theoretical tool of molecular potential energy surfaces (PESs). For this, we propose simple 2-dimensional surface models to demonstrate how a molecule under an external force behaves. Examples are selectins. Catch bonds, in particular, are explained in more detail, and they are contrasted to slip bonds. We can support special two-dimensional molecular PESs for E- and L-selectin which allow the catch bond property. We demonstrate that Newton trajectories (NT) are powerful tools to describe these phenomena. NTs form the theoretical background of mechanochemistry.