Evidence map›Paper›PMID 35956954›Full record

ArticleMolecules (Basel, Switzerland)2022

An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Analysis of the Anomeric Effect.

Danish Khan, Leonardo J Duarte, Paul L A Popelier

Open access · goldAbstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2022. 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
0.6field-weighted citation impact, top 34% 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, 4 citations in OpenAlex.

  1. Article
  2. 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 3 institutions in 3 countries.

Danish KhanFaculty of Physics, University of Vienna, Kolingasse 14-16, 1090 Vienna, Austria.ORCID 0000-0001-7529-2202
Leonardo J DuarteInstitute of Chemistry, State University of Campinas, Campinas 13083-970, SP, Brazil.
Paul L A PopelierDepartment of Chemistry, The University of Manchester, Manchester M13 9PL, UK.ORCID 0000-0001-9053-1363
Universidade Estadual de Campinas (UNICAMP) · BRUniversity of Manchester · GBUniversity of Vienna · AT

Funding

São Paulo Research Foundation 2017/22741-3
6 · The paper itself

Abstract

The explanation of the anomeric effect in terms of underlying quantum properties is still controversial almost 70 years after its introduction. Here, we use a method called Relative Energy Gradient (REG), which is able to compute chemical insight with a view to explaining the anomeric effect. REG operates on atomic energy contributions generated by the quantum topological energy decomposition Interacting Quantum Atoms (IQA). Based on the case studies of dimethoxymethane and 2-fluorotetrahydropyran, we show that the anomeric effect is electrostatic in nature rather than governed by hyperconjugation.

Indexed as

2-fluorotetrahydropyrananomeric effectdimethoxymethaneInteracting Quantum Atoms (IQA)Quantum Theory of Atoms in Molecules (QTAIM)Relative Energy Gradient (REG)

Identifiers

PMID35956954
PMCPMC9370807
OpenAlexW4290759687

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.