% IMPORTANT: The following is UTF-8 encoded. This means that in the presence % of non-ASCII characters, it will not work with BibTeX 0.99 or older. % Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or % “biber”. @ARTICLE{Arcella:201331, author = {Arcella, Annalisa and Dreyer, Jens and Ippoliti, Emiliano and Ivani, Ivan and Portella, Guillem and Gabelica, Valérie and Carloni, Paolo and Orozco, Modesto}, title = {{S}tructure and {D}ynamics of {O}ligonucleotides in the {G}as {P}hase}, journal = {Angewandte Chemie / International edition}, volume = {54}, number = {2}, issn = {1433-7851}, address = {Weinheim}, publisher = {Wiley-VCH}, reportid = {FZJ-2015-03628}, pages = {467–471}, year = {2015}, abstract = {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.}, cin = {INM-9 / IAS-5 / GRS}, ddc = {540}, cid = {I:(DE-Juel1)INM-9-20140121 / I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)GRS-20100316}, pnm = {574 - Theory, modelling and simulation (POF3-574)}, pid = {G:(DE-HGF)POF3-574}, typ = {PUB:(DE-HGF)16}, UT = {WOS:000347238800011}, pubmed = {pmid:25417598}, doi = {10.1002/anie.201406910}, url = {https://juser.fz-juelich.de/record/201331}, }