Evidence map›Paper›PMID 41323714›Full record

ArticleRSC advances2025

Density functional theory insights into the formation mechanisms and reaction rates of Strecker aldehydes.

Shota Ishida, Koichi Miyagawa, Mitsuo Shoji

Abstract read
In one paragraph

Article in RSC advances, 2025. 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
–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

1 citing paper in PubMed.

  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.

Shota IshidaGraduate School of Science and Technology, University of Tsukuba 1-1-1 Tennodai, Tsukuba Ibaraki 305-8571 Japan.ORCID https://orcid.org/0000-0003-3217-9554
Koichi MiyagawaCenter for Computational Sciences, University of Tsukuba 1-1-1 Tennodai, Tsukuba Ibaraki 305-8577 Japan mshoji@ccs.tsukuba.ac.jp.ORCID https://orcid.org/0000-0002-7409-3727
Mitsuo ShojiCenter for Computational Sciences, University of Tsukuba 1-1-1 Tennodai, Tsukuba Ibaraki 305-8577 Japan mshoji@ccs.tsukuba.ac.jp.ORCID https://orcid.org/0000-0001-7465-6326

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Although Strecker degradation significantly affects food quality, its atomistic-level reaction mechanisms remain poorly understood. In this study, new reaction mechanisms for the initial steps of Strecker degradation leading to the formation of aldehydes or ketones were revealed using a first-principles approach based on density functional theory (DFT). We employed a minimal model consisting of glycine and methylglyoxal, and explored a broad reaction space using the conformational search algorithm, the random sampling method. Our results show that both aldehyde and ketone formation pathways proceed with maximum activation energies of less than 25 kcal mol

Identifiers

PMID41323714
PMCPMC12661492

What OpenQuestion holds

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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.