Theoretical determination of the strength of soft noncovalent molecular bonds

Hsuan Yi Chen, Yi Ping Chu

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19 Scopus citations

Abstract

The strength of a simple soft bond under a constant loading rate is studied theoretically. There is a scaling regime where rebinding is negligible and the rupture force scales as const+[ln(ku)] 2/3, where kv is the loading rate. The scaling regime is smaller for weaker bonds and broader for stronger bonds. For a loading rate beyond the upper limit of the scaling regime, the bond rupture is deterministic and the thermal effects are negligible. For a loading rate below the lower limit of the scaling regime, the contribution from rebinding becomes important and there is no simple scaling relation between the rupture force and the loading rate. Our theory takes the effect of rebinding in the calculation, therefore we find good agreement between theory and simulation even below the scaling regime.

Original languageEnglish
Article number010901
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume71
Issue number1
DOIs
StatePublished - Jan 2005

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