Evidence map›Paper›PMID 31687533›Full record

ReviewHeliyon2019

Interaction of thiourea and urea with maleimide: comparative theoretical DFT study.

Nabila Achoui, Karima Zaioua, Dalila Hammoutène, Bellara Kolli-Nedjar, Yamina Akacem

Open access · goldAbstract readReview
PubMed Full text at PMC Publisher
In one paragraph

Review in Heliyon, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
0.3field-weighted citation impact, top 46% 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

2 citing papers in PubMed, 6 citations in OpenAlex.

  1. Article
  2. Review
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

5 authors at 1 institution in 1 country.

Nabila AchouiUSTHB, Faculty of Chemistry, Laboratory of Thermodynamics and Molecular Modeling, BP 32, Al Alia, 16111, Bab Ezzouar, Algiers, Algeria.
Karima ZaiouaUSTHB, Faculty of Chemistry, Laboratory of Thermodynamics and Molecular Modeling, BP 32, Al Alia, 16111, Bab Ezzouar, Algiers, Algeria.
Dalila HammoutèneUSTHB, Faculty of Chemistry, Laboratory of Thermodynamics and Molecular Modeling, BP 32, Al Alia, 16111, Bab Ezzouar, Algiers, Algeria.
Bellara Kolli-NedjarUSTHB, Faculty of Chemistry, Laboratory of Applied Organic Synthesis, BP32, El Alia, 16111, Bab Ezzouar, Algiers, Algeria.
Yamina AkacemUSTHB, Faculty of Chemistry, Laboratory of Thermodynamics and Molecular Modeling, BP 32, Al Alia, 16111, Bab Ezzouar, Algiers, Algeria.
University of Sciences and Technology Houari Boumediene · DZ

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A gas-phase mechanism reaction of maleimide with urea or thiourea was studied by DFT method. A comparison between atomic charges, Fukui index evaluation and Frontier orbitals theory was carried out. The involvement of pre- and post-reactive complexes was examined as the reaction profiles are modelled. For each mechanism, two approaches have been proposed through nitrogen and sulfur (for thiourea), or oxygen and nitrogen (for urea) attack. The results indicate that the carbon double bonded of maleimide is the electophilic site and chalcogen atom of chalcogenourea is the nucleophilic one. The obtained activation free energies predict suitable specie that could be generated after an opening-cycle and new bonds formation. Consequently, the sulfur attack of thiourea was promoted on oxygen (urea) which is in accordance with the experiments.

Indexed as

DFTFukui indicesIntrinsec reaction coordinateOrganic chemistryPhysical chemistryReaction mechanismThiourea and urea

Identifiers

PMID31687533
PMCPMC6819788
OpenAlexW2973479929

What OpenQuestion holds

Textmetadata
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.