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000201331 1001_ $$0P:(DE-HGF)0$$aArcella, Annalisa$$b0
000201331 245__ $$aStructure and Dynamics of Oligonucleotides in the Gas Phase
000201331 260__ $$aWeinheim$$bWiley-VCH$$c2015
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000201331 520__ $$aBy 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.
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000201331 7001_ $$0P:(DE-Juel1)146008$$aDreyer, Jens$$b1$$ufzj
000201331 7001_ $$0P:(DE-Juel1)146009$$aIppoliti, Emiliano$$b2$$ufzj
000201331 7001_ $$0P:(DE-HGF)0$$aIvani, Ivan$$b3
000201331 7001_ $$0P:(DE-HGF)0$$aPortella, Guillem$$b4
000201331 7001_ $$0P:(DE-HGF)0$$aGabelica, Valérie$$b5
000201331 7001_ $$0P:(DE-Juel1)145614$$aCarloni, Paolo$$b6$$ufzj
000201331 7001_ $$0P:(DE-HGF)0$$aOrozco, Modesto$$b7$$eCorresponding Author
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