Analytical Chemistry

Compaction of RNA Hairpins and Their Kissing Complexes in Native Electrospray Mass Spectrometry


When electrosprayed from typical native MS solution conditions, RNA hairpins and kissing complexes acquire charge states at which they get significantly more compact in the gas phase than their initial structure in solution. Here we show the limits of using force field molecular dynamics to interpret the gas-phase structures of nucleic acid complexes in the gas phase, and we suggest that higher-level calculation levels should be used in the future.

Version notes

August 17, 2020: third revisions


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Supplementary material

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200817 KC-in-gas revised3 SI