TY  - JOUR
AU  - Arcella, Annalisa
AU  - Dreyer, Jens
AU  - Ippoliti, Emiliano
AU  - Ivani, Ivan
AU  - Portella, Guillem
AU  - Gabelica, Valérie
AU  - Carloni, Paolo
AU  - Orozco, Modesto
TI  - Structure and Dynamics of Oligonucleotides in the Gas Phase
JO  - Angewandte Chemie / International edition
VL  - 54
IS  - 2
SN  - 1433-7851
CY  - Weinheim
PB  - Wiley-VCH
M1  - FZJ-2015-03628
SP  - 467–471
PY  - 2015
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000347238800011
C6  - pmid:25417598
DO  - DOI:10.1002/anie.201406910
UR  - https://juser.fz-juelich.de/record/201331
ER  -