From solution to the gas phase: stepwise dehydration and kinetic trapping of substance P reveals the origin of peptide conformations
Past experimental results and molecular dynamics simulations provide evidence that, under
some conditions, electrospray ionization (ESI) of biomolecules produces ions that retain …
some conditions, electrospray ionization (ESI) of biomolecules produces ions that retain …
Disintegration mechanisms of charged nanodroplets: novel systems for applying methods of activated processes
S Consta, A Malevanets - Molecular Simulation, 2015 - Taylor & Francis
We review recent advances in the understanding of ejection mechanisms of solvated ions
and charged macromolecules from highly charged nanodroplets. While the physical basis …
and charged macromolecules from highly charged nanodroplets. While the physical basis …
Chain ejection model for electrospray ionization of unfolded proteins: evidence from atomistic simulations and ion mobility spectrometry
The ion evaporation model (IEM) and the charged residue model (CRM) represent
cornerstones of any discussion related to the mechanism of electrospray ionization (ESI) …
cornerstones of any discussion related to the mechanism of electrospray ionization (ESI) …
Toward a molecular understanding of the surface composition of atmospherically relevant organic particles
Many mass spectrometry methods using various ionization sources provide bulk
composition of airborne particles, but little is known about the surface species that play a …
composition of airborne particles, but little is known about the surface species that play a …
Ions from solution to the gas phase: a molecular dynamics simulation of the structural evolution of substance P during desolvation of charged nanodroplets generated …
Molecular dynamics (MD) simulations are used to model changes in the conformational
preferences of a model peptide during the transition from a hydrated environment (charged …
preferences of a model peptide during the transition from a hydrated environment (charged …
Atomistic modeling of jet formation in charged droplets
S Consta - The Journal of Physical Chemistry B, 2022 - ACS Publications
The first atomistic simulations that reveal the mechanism of Rayleigh fission are presented. It
is demonstrated that simple ion or macroion ejection takes place through droplet …
is demonstrated that simple ion or macroion ejection takes place through droplet …
Electrospray ionization mechanisms for large polyethylene glycol chains studied through tandem ion mobility spectrometry
C Larriba, JF De La Mora… - Journal of the American …, 2014 - ACS Publications
Ion mobility mass spectrometry (IMS-MS) is used to investigate the abundance pattern, nz
(m) of Poly-(ethyleneglycol)(PEG) electrosprayed from water/methanol as a function of mass …
(m) of Poly-(ethyleneglycol)(PEG) electrosprayed from water/methanol as a function of mass …
Variation of droplet acidity during evaporation
A Malevanets, S Consta - The Journal of chemical physics, 2013 - pubs.aip.org
Variation of acidity and associated chemical changes of macromolecules in evaporating
droplets is of central importance in electrosprayed aerosols. We study changes in acidity …
droplets is of central importance in electrosprayed aerosols. We study changes in acidity …
High-throughput characterization of small and large molecules using only a matrix and the vacuum of a mass spectrometer
Matrix assisted ionization vacuum (MAIV) rapidly generates gas-phase analyte ions from
subliming solid-phase matrix: analyte crystals for analysis by mass spectrometry (MS) …
subliming solid-phase matrix: analyte crystals for analysis by mass spectrometry (MS) …
Where do the ions reside in a highly charged droplet?
Aqueous droplets in atmospheric and electrosprayed aerosols are charged due to presence
of multiple ionic species. We examine the ion spatial distribution and the surface electric …
of multiple ionic species. We examine the ion spatial distribution and the surface electric …