Publication – Schwalbe, Dreuw

The Nature of Hydrogen Bonds in Cytidine⋅⋅⋅H+⋅⋅⋅Cytidine DNA Base Pairs.

Lieblein AL, Krämer M, Dreuw A, Fürtig B, Schwalbe H. Angew Chem Int Ed Engl, 2012 Mar 12. Abstract or full publication here.

Combined NMR spectroscopic and quantum chemical investigations are used to characterize cationic hydrogen bonds found in C⋅C+ base pairs in DNA i-motif structures. The proton involved in the singly protonated base pair jumps between both cytidine nucleobases (see picture). The proton transfer can be described as asymmetric double-well potential with a proton hopping rate of at least 108 s−1.