Evidence map›Paper›PMID 30159695›Full record

ArticleJournal of molecular modeling2018

Theoretical investigation of the neutral hydrolysis of diethyl 4-nitrophenyl phosphate (paraoxon) in aqueous solution.

Marcelo A Chagas, Eufrásia S Pereira, Júlio Cosme S Da Silva, Willian R Rocha

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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 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing 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

4 citing papers in PubMed.

  1. Article
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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

4 authors.

Marcelo A ChagaseCsMoLab: Laboratório de Estudos Computacionais em Sistemas Moleculares, Departamento de Química, ICEx, Universidade Federal de Minas Gerais, 31270-901, Pampulha, Belo Horizonte, MG, Brazil.
Eufrásia S PereiraeCsMoLab: Laboratório de Estudos Computacionais em Sistemas Moleculares, Departamento de Química, ICEx, Universidade Federal de Minas Gerais, 31270-901, Pampulha, Belo Horizonte, MG, Brazil.
Júlio Cosme S Da SilvaeCsMoLab: Laboratório de Estudos Computacionais em Sistemas Moleculares, Departamento de Química, ICEx, Universidade Federal de Minas Gerais, 31270-901, Pampulha, Belo Horizonte, MG, Brazil.
Willian R RochaeCsMoLab: Laboratório de Estudos Computacionais em Sistemas Moleculares, Departamento de Química, ICEx, Universidade Federal de Minas Gerais, 31270-901, Pampulha, Belo Horizonte, MG, Brazil. wrocha@ufmg.br.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In this work the neutral or spontaneous hydrolysis of paraoxon, one of the most popular organophosphate pesticides, in aqueous solution was investigated at the DFT and MP2 levels of theory, using a combination of local solvation of the phosphoryl group with explicit water molecules, and treating the long range solvent effects using continuum solvation model. In contrast to the alkaline hydrolysis, the neutral hydrolysis takes place in two steps, through an A

Indexed as

Electronic structure calculationsParaoxon, organophosphatePhosphate triesters hydrolysisReaction in solutionSolvent effects

Identifiers

PMID30159695

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

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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.