Evidence map›Paper›PMID 35558904›Full record

ArticleRSC advances2018

Computational investigation of the control of the thermodynamics and microkinetics of the reductive amination reaction by solvent coordination and a co-catalyst.

Esra Boz, Nurcan Ş Tüzün, Matthias Stein

Abstract read
In one paragraph

Article in RSC advances, 2018. 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
–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

2 citing papers in PubMed.

  1. Article
  2. Improved HRSC advances · 2020
    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.

Esra BozMax Planck Institute for Dynamics of Complex Technical Systems, Molecular Simulations and Design Group Magdeburg Germany matthias.stein@mpi-magdeburg.mpg.de.ORCID https://orcid.org/0000-0001-5002-8624
Nurcan Ş TüzünIstanbul Technical University, Department of Chemistry Istanbul Turkey.ORCID https://orcid.org/0000-0001-5225-3876
Matthias SteinMax Planck Institute for Dynamics of Complex Technical Systems, Molecular Simulations and Design Group Magdeburg Germany matthias.stein@mpi-magdeburg.mpg.de.ORCID https://orcid.org/0000-0001-7793-0052

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Amines are among the most important and frequently used chemical compounds due to their biological activity and a wide range of applications in industry. Reductive amination reactions are an efficient and facile route to synthesize long chain amines from sustainable sources by using a different available aldehydes and ketones, and a large variety of amines including primary, secondary and tertiary forms. The pathway of the reaction process is critically dependent on reaction parameters such as the pH of the reaction medium, choice of solvent (explicitly coordinating solvent) and process conditions. These parameters are affecting the reaction performance and the selectivity but are still not fully rationalized. Here, we investigate the microkinetics and thermodynamics of the individual steps of the reductive amination reaction by exploring the systems' parameters. Explicit water coordination to the aldehyde leads to a stepwise rather than concerted nucleophilic addition with a lower activation barrier by 6-10 kcal mol

Identifiers

PMID35558904
PMCPMC9088820

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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.