Evidence map›Paper›PMID 29876745›Full record

ArticleJournal of molecular modeling2018

Free energy profile and microkinetic modeling of base-catalyzed conjugate addition reaction of nitroalkanes to α,β-unsaturated ketones in polar and apolar solvents.

Virginia C Rufino, Stella M Resende, Josefredo R Pliego

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
0.2field-weighted citation impact, top 52% 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

1 citing paper in PubMed, 5 citations in OpenAlex.

  1. 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

3 authors at 1 institution in 1 country.

Virginia C RufinoDepartamento de Ciências Naturais, Universidade Federal de São João del-Rei, São João del-Rei, MG, 36301-160, Brazil.
Stella M ResendeDepartamento de Ciências Naturais, Universidade Federal de São João del-Rei, São João del-Rei, MG, 36301-160, Brazil.
Josefredo R PliegoDepartamento de Ciências Naturais, Universidade Federal de São João del-Rei, São João del-Rei, MG, 36301-160, Brazil. pliego@ufsj.edu.br.ORCID http://orcid.org/0000-0002-2944-5332
Federal University of São João del-Rei · BR

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Michael reactions involving nitroalkanes and enones are important carbon-carbon bond formation reactions. These reactions are base-catalyzed, and during the past 15 years, the asymmetric version using bifunctional amino-thiourea organocatalyst has been developed. In this work, the reaction of nitromethane and 4-phenyl-3-buten-2-one, catalyzed by the methoxide ion and piperidine as bases, was investigated by theoretical calculations. We obtained the theoretical free energy profile and did a microkinetic analysis of the catalytic cycle. The direct reaction of the CH

Indexed as

Base catalysis, theoretical calculationsBifunctional thioureaMichael additionMicrokinetic modelingOrganocatalysis

Identifiers

PMID29876745
OpenAlexW2805605993

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.