%0 Journal Article
%A Arcella, Annalisa
%A Dreyer, Jens
%A Ippoliti, Emiliano
%A Ivani, Ivan
%A Portella, Guillem
%A Gabelica, Valérie
%A Carloni, Paolo
%A Orozco, Modesto
%T Structure and Dynamics of Oligonucleotides in the Gas Phase
%J Angewandte Chemie / International edition
%V 54
%N 2
%@ 1433-7851
%C Weinheim
%I Wiley-VCH
%M FZJ-2015-03628
%P 467–471
%D 2015
%X By combining ion-mobility mass spectrometry experiments with sub-millisecond classical and ab initio molecular dynamics we fully characterized, for the first time, the dynamic ensemble of a model nucleic acid in the gas phase under electrospray ionization conditions. The studied oligonucleotide unfolds upon vaporization, loses memory of the solution structure, and explores true gas-phase conformational space. Contrary to our original expectations, the oligonucleotide shows very rich dynamics in three different timescales (multi-picosecond, nanosecond, and sub-millisecond). The shorter timescale dynamics has a quantum mechanical nature and leads to changes in the covalent structure, whereas theother two are of classical origin. Overall, this study suggests that a re-evaluation on our view of the physics of nucleic acids upon vaporization is needed.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000347238800011
%$ pmid:25417598
%R 10.1002/anie.201406910
%U https://juser.fz-juelich.de/record/201331