Evidence map›Paper›PMID 26259654›Full record

ArticleJournal of mass spectrometry : JMS2015

Linking molecular models with ion mobility experiments. Illustration with a rigid nucleic acid structure.

Valentina D'Atri, Massimiliano Porrini, Frédéric Rosu, Valérie Gabelica

Abstract read
In one paragraph

Article in Journal of mass spectrometry : JMS, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 25 papers.

0numbers the graph read from it
0cells of the map it votes in
25citing 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

25 citing papers in PubMed.

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  14. Review
  15. Molecular dynamics simulation of ion mobility in gases.The Journal of chemical physics · 2018
    Article
  16. Article
  17. Article
  18. Polymers for Traveling Wave Ion Mobility Spectrometry Calibration.Journal of the American Society for Mass Spectrometry · 2017
    Article
  19. Article
  20. 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.

Valentina D'AtriUniv. Bordeaux, IECB, ARNA laboratory, Pessac, F-33600, France.
Massimiliano PorriniUniv. Bordeaux, IECB, ARNA laboratory, Pessac, F-33600, France.
Frédéric RosuCNRS, UMS3033, IECB, Pessac, F-33600, France.
Valérie GabelicaUniv. Bordeaux, IECB, ARNA laboratory, Pessac, F-33600, France.

Funding

European Research Council 616551
6 · The paper itself

Abstract

Ion mobility spectrometry experiments allow the mass spectrometrist to determine an ion's rotationally averaged collision cross section Ω(EXP). Molecular modelling is used to visualize what ion three-dimensional structure(s) is(are) compatible with the experiment. The collision cross sections of candidate molecular models have to be calculated, and the resulting Ω(CALC) are compared with the experimental data. Researchers who want to apply this strategy to a new type of molecule face many questions: (1) What experimental error is associated with Ω(EXP) determination, and how to estimate it (in particular when using a calibration for traveling wave ion guides)? (2) How to generate plausible 3D models in the gas phase? (3) Different collision cross section calculation models exist, which have been developed for other analytes than mine. Which one(s) can I apply to my systems? To apply ion mobility spectrometry to nucleic acid structural characterization, we explored each of these questions using a rigid structure which we know is preserved in the gas phase: the tetramolecular G-quadruplex [dTGGGGT]4, and we will present these detailed investigation in this tutorial.

Indexed as

Models, MolecularComputer SimulationGasesIonsMass SpectrometryNucleic AcidsGasesIonsNucleic Acidscollision cross sectiongas-phase ion structureion mobility spectrometrymolecular modelingnucleic acidssimulationsstructure

Identifiers

PMID26259654
PMCPMC4440389

What OpenQuestion holds

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LicenceCC BY-NC-ND
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.