Evidence map›Paper›PMID 42622915›Full record

ArticleJournal of molecular modeling2026

Zn

João Pedro Dionizio, Henrique Rodrigues Souza-Silva, Jean Valdir Uchôa Teixeira, Orisson Ponce Gomes, Didier Bégué, Paulo Noronha Lisboa-Filho, Augusto Batagin-Neto

Abstract read
In one paragraph

Article in Journal of molecular modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

7 authors.

João Pedro DionizioPOSMAT, School of Sciences, São Paulo State University (UNESP), Bauru/SP, 17033-360, Brazil.ORCID http://orcid.org/0009-0009-9137-6401
Henrique Rodrigues Souza-SilvaPOSMAT, School of Sciences, São Paulo State University (UNESP), Bauru/SP, 17033-360, Brazil.
Jean Valdir Uchôa TeixeiraPOSMAT, School of Sciences, São Paulo State University (UNESP), Bauru/SP, 17033-360, Brazil.ORCID http://orcid.org/0000-0002-2481-2244
Orisson Ponce GomesE2S UPPA, CNRS, Institut des Sciences Analytiques et Physico-chimie pour l'environnement et les matériaux (IPREM), Université de Pau et des Pays de l'Adour, 64000, Pau, France.ORCID http://orcid.org/0000-0002-0035-8489
Didier BéguéE2S UPPA, CNRS, Institut des Sciences Analytiques et Physico-chimie pour l'environnement et les matériaux (IPREM), Université de Pau et des Pays de l'Adour, 64000, Pau, France.ORCID http://orcid.org/0000-0002-4553-0166
Paulo Noronha Lisboa-FilhoDepartment of Physics and Meteorology, School of Sciences, São Paulo State University (UNESP), Bauru/SP, SP, 17033-360, Brazil.ORCID http://orcid.org/0000-0002-7734-4069
Augusto Batagin-NetoInstitute of Sciences and Engineering, São Paulo State University (UNESP), Itapeva/SP, 18409-010, Brazil. a.batagin@unesp.br.ORCID https://orcid.org/0000-0003-4609-9002

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextMelanin-like dopamine oligomers are promising biomaterials due to their biocompatibility and metal-chelating ability. In this work, Zn

methodsDensity functional theory (DFT) calculations were performed for 5,6-dihydroxyindole (DHI), 5,6-dihydroxyindole-2-carboxylic acid (DHICA), and DHI-based oligomeric structures in different deprotonation states. Geometry optimizations and electronic-structure analyses were carried out using the B3LYP functional and 6-31G(d,p) basis set, including Grimme correction (GD3) and solvent effects through the polarizable continuum model (PCM) for water, as implemented in the Gaussian 16 software package. Local reactivity was investigated through condensed-to-atom Fukui indices (CAFIs) and molecular electrostatic potential (MEP) analyses. Zn

Indexed as

DopamineMelaninsZincDensity Functional TheoryElectronsIndolesModels, MolecularStatic Electricity5,6-dihydroxy-2-indolylcarboxylic acid5,6-dihydroxyindoleDopamineIndolesMelaninsZincAntibacterial effectsDensity functional theoryElectronic structure calculationsMelanin-derivatives

Identifiers

PMID42622915
PMCPMC13493412

What OpenQuestion holds

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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.