Evidence map›Paper›PMID 37953387›Full record

ArticleJournal of molecular modeling2023

Electronic structure and molecular properties of nitisinone and mesotrione in water.

Richard Imrich, Juraj Štofko, Roman Boča, Cyril Rajnák

Open access · hybridAbstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Journal of molecular modeling, 2023. 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
0.3field-weighted citation impact, top 46% 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, 2 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

4 authors at 1 institution in 1 country.

Richard ImrichFaculty of Health Sciences, University of Ss. Cyril and Methodius, 917 01, Trnava, Slovakia.
Juraj ŠtofkoFaculty of Health Sciences, University of Ss. Cyril and Methodius, 917 01, Trnava, Slovakia.
Roman BočaFaculty of Health Sciences, University of Ss. Cyril and Methodius, 917 01, Trnava, Slovakia. roman.boca@ucm.sk.
Cyril RajnákFaculty of Natural Sciences, University of Ss. Cyril and Methodius, 917 01, Trnava, Slovakia.
University of Ss. Cyril and Methodius in Trnava · SK

Funding

Vedecká Grantová Agentúra MŠVVaŠ SR a SAV VEGA 1/0191/22
6 · The paper itself

Abstract

contextNitisinone is a medium-sized organic molecule that is used in treating hereditary tyrosinemia type 1 (HT-1). The structurally analogous mesotrione, however, is used as a pesticide/herbicide. What molecular properties are responsible for the similarity/dissimilarity of these molecules is investigated here. The solvent effect reduces the electron affinity to rather negative values and causes the negative electron affinity which manifests itself in a very high positive absolute reduction potential.

methodsB3LYP method was utilized for a geometry optimization of nitisinone and mesotrione in their neural and ionized (L

Indexed as

Ab initio calculationsElectronic structureMesotrioneMolecular propertiesNitisinone

Identifiers

PMID37953387
PMCPMC10641058
OpenAlexW4388617253

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.