Physical Sciences and Mathematics Commons^™

Enhancing Protein Electrospray Charge States By Multivalent Metal Ions: Mechanistic Insights From Md Simulations And Mass Spectrometry Experiments., Leanne M Martin, Lars Konermann

Chemistry Publications

The structure and reactivity of electrosprayed protein ions is governed by their net charge. Native proteins in non-denaturing aqueous solutions produce low charge states. More highly charged ions are formed when electrospraying proteins that are unfolded and/or exposed to organic supercharging agents. Numerous studies have explored the electrospray process under these various conditions. One phenomenon that has received surprisingly little attention is the charge enhancement caused by multivalent metal ions such as La³⁺ when electrospraying proteins out of non-denaturing solutions. Here, we conducted mass spectrometry and ion mobility spectrometry experiments, in combination with molecular dynamics (MD) simulations, to uncover …