Evidence map›Paper›PMID 25971782›Full record

ArticleAnalytical chemistry2015

Structural Characterization of Methylenedianiline Regioisomers by Ion Mobility-Mass Spectrometry, Tandem Mass Spectrometry, and Computational Strategies. 2. Electrospray Spectra of 3-Ring and 4-Ring Isomers.

Sarah M Stow, Tiffany M Onifer, Jay G Forsythe, Hartmut Nefzger, Nicholas W Kwiecien, Jody C May, John A McLean, David M Hercules

Abstract read
In one paragraph

Article in Analytical chemistry, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
1.9field-weighted citation impact, top 15% of its field
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

8 citing papers in PubMed, 28 citations in OpenAlex.

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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

8 authors at 2 institutions in 2 countries.

Sarah M Stow∥Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Tiffany M Onifer∥Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Jay G Forsythe∥Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Hartmut Nefzger#Bayer MaterialScience AG, 51368 Leverkusen, North Rhine-Westphalia, Germany.
Nicholas W Kwiecien∥Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Jody C May∥Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
John A McLean∥Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
David M Hercules∥Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Vanderbilt University · USBayer (Germany) · DE

Funding

Neurovascular Unit on a Chip: Regional Chemical Communication, Drug and Toxin ResponsesUH3TR000491 · NCATS · VANDERBILT UNIVERSITY · PI GHOSH, CHAITALI, JANIGRO, DAMIR · 2014 to 2016
$3.8M
Neurovascular Unit on a Chip: Chemical Communication, Drug and Toxin ResponsesUH2TR000491 · NCATS · VANDERBILT UNIVERSITY · PI JANIGRO, DAMIR, NISWENDER, KEVIN D · 2012 to 2013
$2.2M
ACQUISITION OF A 500 MHZ LC-NMR: PEPTIDE CHEMISTRYS10RR019022 · NCRR · VANDERBILT UNIVERSITY · PI RIZZO, CARMELO J · 2005 to 2005
$500k
NCATS NIH HHS UH2 TR000491NCATS NIH HHS UH3 TR000491NCRR NIH HHS S10 RR019022PHS HHS UH2RT000491
6 · The paper itself

Abstract

Building on results from our previous study of 2-ring methylenedianiline (MDA), a combined mass spectrometry approach utilizing ion mobility-mass spectrometry (IM-MS) and tandem mass spectrometry (MS/MS) coupled with computational methods enables the structural characterization of purified 3-ring and 4-ring MDA regioisomers in this current study. The preferred site of protonation for the 3-ring and 4-ring MDA was determined to be on the amino groups. Additionally, the location of the protonated amine along the MDA multimer was found to influence the gas phase stability of these molecules. Fragmentation mechanisms similar to the 2-ring MDA species were observed for both the 3-ring and 4-ring MDA. The structural characterization of 3-ring and 4-ring MDA isomers using modern MS techniques may aid polyurethane synthesis by the characterization of industrial grade MDA, multimeric MDA species, and methylene diphenyl diisocyanate (MDI) mixtures.

Indexed as

Computer SimulationAniline CompoundsBenzhydryl CompoundsMolecular StructureSpectrometry, Mass, Electrospray IonizationStereoisomerismTandem Mass Spectrometry4,4'-diaminodiphenylmethaneAniline CompoundsBenzhydryl Compounds

Identifiers

PMID25971782
PMCPMC5642105
OpenAlexW2333990433

What OpenQuestion holds

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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.