Evidence map›Paper›PMID 42126462›Full record

ArticleJournal of molecular modeling2026

Density functional theory study of Morin coordination with redox-active metal oxides (CdO, PbO, Hg

Manohar Srinivas Naik R, Venkatramana Reddy A T

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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.

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0cells of the map it votes in
0citing papers in PubMed
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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

2 authors.

Manohar Srinivas Naik R *Department of Zoology, Yogi Vemana University, 516005, Andhra Pradesh, India. littlesproutsscienceclub@gmail.com.ORCID http://orcid.org/0009-0005-8255-078X
Venkatramana Reddy A T *Department of Zoology, Yogi Vemana University, 516005, Andhra Pradesh, India.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextEnvironmental exposure to redox-active metal oxides, such as CdO, Hg

methodsDensity functional theory (DFT) calculations were conducted in the gas phase using ORCA 6.0 at the B3LYP/def2-TZVPP level of theory, with the def2/J auxiliary basis and RI-J approximation. Geometry optimizations were performed using tight SCF convergence criteria with a maximum of 900 iterations, employing DIIS and SOSCF convergence schemes. Frequency calculations confirmed the absence of imaginary frequencies, indicating the presence of true minima. Chemcraft 1.8 was utilized to visualize and analyze the structural, electronic, and vibrational properties.

Indexed as

Chelating AgentsDensity Functional TheoryFlavonoidsOxidesFlavonesLeadModels, MolecularNickelOxidation-ReductionOxidative StressReactive Oxygen SpeciesChelating AgentsFlavonesFlavonoidsLeadlead oxidemorinNickelnickel monoxideOxidesReactive Oxygen SpeciesDensity functional theory (DFT)Metal chelationMetal oxide toxicityMorinOxidative stressReactive oxygen species (ROS)

Identifiers

PMID42126462

What OpenQuestion holds

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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.