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Single-molecule mechanical manipulation has enabled the quantitativeunderstanding of the kinetics of bond ruptures as well as protein unfoldingmechanism. Single-molecule experiments with theoretical models have allowed oneto gain insight into free energy landscape for chemical bond and/or proteinfolding. For mechanically induced bond rupture, the bond-rupture kinetics maybe governed by loading device. However, the role of loading device on thekinetics of mechanical rupture has been rarely received much attention untilrecently. In this work, we have theoretically and/or computationally studiedthe effect of loading-device stiffness on the kinetics of mechanical unfolding.Specifically, we have considered a one-dimensional model for a bond rupturewhose kinetics is depicted by Kramers' theory. It is elucidated that thekinetics of bond rupture is determined by force constant of loading device. TheBrownian dynamics simulation of a bond rupture is considered in order tovalidate our theory. It is illustrated that the mean rupture force is dependenton the force constant of a loading device, such that increase in theloading-device stiffness leads to the higher bond rupture force. Moreover, wehave taken into account the computational simulation of mechanical unfolding ofa small protein, i.e. {\beta}-hairpin. Our simulation shows that unfoldingforce is highly correlated with the stiffness of a loading device. Ournumerical and theoretical studies highlight the significance of a loadingdevice on the kinetics of mechanical unfolding of a chemical bond and/or afolded domain in the single-molecule mechanical experiments.

Role of Loading Device on Single-Molecule Mechanical Manipulation of Free Energy Landscape