Evidence map›Paper›PMID 30259408›Full record

ArticleJournal of the American Society for Mass Spectrometry2018

Strengths and Weaknesses of Molecular Simulations of Electrosprayed Droplets.

Styliani Consta, Myong In Oh, Victor Kwan, Anatoly Malevanets

Abstract read
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In one paragraph

Article in Journal of the American Society for Mass Spectrometry, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

3 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors.

Styliani ConstaDepartment of Chemistry, The University of Western Ontario, London, Ontario, N6A 5B7, Canada. sconstas@uwo.ca.
Myong In OhDepartment of Chemistry, The University of Western Ontario, London, Ontario, N6A 5B7, Canada.
Victor KwanDepartment of Chemistry, The University of Western Ontario, London, Ontario, N6A 5B7, Canada.
Anatoly MalevanetsDepartment of Chemistry, The University of Western Ontario, London, Ontario, N6A 5B7, Canada.

Funding

H2020 Marie Skłodowska-Curie Actions 628552
6 · The paper itself

Abstract

The origin and the magnitude of the charge in a macroion are critical questions in mass spectrometry analysis coupled to electrospray and other ionization techniques that transfer analytes from the bulk solution into the gaseous phase via droplets. In many circumstances, it is the later stages of the existence of a macroion in the containing solvent drop before the detection that determines the final charge state. Experimental characterization of small (with linear dimensions of several nanometers) and short-lived droplets is quite challenging. Molecular simulations in principle may provide insight exactly in this challenging for experiments regime. We discuss the strengths and weaknesses of the molecular modeling of electrosprayed droplets using molecular dynamics. We illustrate the limitations of the molecular modeling in the analysis of large macroions and specifically proteins away from their native states. Graphical Abstract ᅟ.

Indexed as

Charged proteins, macroion extrusion mechanismsCharge-induced instabilityDroplet-macroion interactionsMolecular modelingRayleigh instabilitySolvation

Identifiers

PMID30259408

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.