Formation of Gaseous Protein Ions from Aqueous Ammonium Acetate Droplets during Native Electrospray: Insights from Mobile-Proton Molecular Dynamics Simulations

Kasra Hanifi; Lars Konermann

doi:10.1039/d6cp00481d

January 1, 2026Physical Chemistry Chemical PhysicsOpen Access

Formation of Gaseous Protein Ions from Aqueous Ammonium Acetate Droplets during Native Electrospray: Insights from Mobile-Proton Molecular Dynamics Simulations

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Key Points

The study aims to understand how proteins transition from solution to gas during native electrospray ionization.
Utilized molecular dynamics simulations to model protein behavior in aqueous ammonium acetate droplets.
Examined the formation of gaseous protein ions during the electrospray process.
Simulations indicate specific interactions that promote protein ion stability in the gas phase.
Findings reveal key dynamics in droplet evaporation affecting ion formation.

Implication

Explores protein ion transition in solutions, suggesting novel insights into electrospray ionization.

Abstract

The transition of proteins from solution into the gas phase during native electrospray ionization (ESI) continues to be an enigmatic topic. Molecular dynamics (MD) simulations are an important avenue for...

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Cite This Study

Hanifi et al. (2026) studied this question.

synapsesocial.com/papers/6a06b928e7dec685947abb69 https://doi.org/10.1039/d6cp00481d

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Formation of Gaseous Protein Ions from Aqueous Ammonium Acetate Droplets during Native Electrospray: Insights from Mobile-Proton Molecular Dynamics Simulations

Key Points

Implication

Abstract

Discussion

Cite This Study

Formation of Gaseous Protein Ions from Aqueous Ammonium Acetate Droplets during Native Electrospray: Insights from Mobile-Proton Molecular Dynamics Simulations

Key Points

Implication

Abstract

Discussion

Cite This Study

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