Theoretical studies of the pyranose ring under mechanical stress

In this work we use our Enforced Geometry Optimization (EGO) method to investigate conformational transitions in the pyranose ring under mechanical stress caused by external forces. We examine possible transitions and/or inversions induced by external forces in the pyranose ring in the chair conformation with two axial glycosidic bonds. The results obtained provide new insight into the mechanism of the conformational transitions which strongly depends on substituents present in a pyranose ring. We also conclude that interpretation of AFM force-extension curves is not necessarily straightforward; not every plateau there corresponds to a conformational transition and not every transition can be clearly seen as a plateau.