Layered Double Hydroxides as Systems for Capturing Small-Molecule Air Pollutants: A Density Functional Theory Study.

Elaheh Mohebbi, Cristina Minnelli, Eleonora Pavoni, Laura Sisti, Emiliano Laudadio, Pierluigi Stipa

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2024. 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

–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

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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

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0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

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5 · Who and what money

Authors and funding

6 authors.

Elaheh MohebbiDepartment of Science and Engineering of Matter, Environment and Urban Planning, Polytechnic University of Marche, 60121 Ancona, AN, Italy.ORCID 0000-0002-5866-7911

Cristina MinnelliDepartment of Life and Environmental Sciences, Polytechnic University of Marche, 60121 Ancona, AN, Italy.ORCID 0000-0001-8034-8557

Eleonora PavoniDepartment of Science and Engineering of Matter, Environment and Urban Planning, Polytechnic University of Marche, 60121 Ancona, AN, Italy.ORCID 0000-0002-0711-0021

Laura SistiDepartment of Civil, Chemical, Environmental and Materials Engineering, University of Bologna, 40126 Bologna, BO, Italy.ORCID 0000-0003-4445-3880

Emiliano LaudadioDepartment of Science and Engineering of Matter, Environment and Urban Planning, Polytechnic University of Marche, 60121 Ancona, AN, Italy.ORCID 0000-0002-8053-6539

Pierluigi StipaDepartment of Science and Engineering of Matter, Environment and Urban Planning, Polytechnic University of Marche, 60121 Ancona, AN, Italy.ORCID 0000-0001-9024-0398

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Air pollutants are usually formed by easily spreading small molecules, representing a severe problem for human health, especially in urban centers. Despite the efforts to stem their diffusion, many diseases are still associated with exposure to these molecules. The present study focuses on modeling and designing two-dimensional systems called Layered Double Hydroxides (LDHs), which can potentially trap these molecules. For this purpose, a Density Functional Theory (DFT) approach has been used to study the role of the elemental composition of LDHs, the type of counterion, and the ability of these systems to intercalate NO

Indexed as

air pollutantscharge transferdensity of statesDFTLDH

Identifiers

PMID39519636

DOI10.3390/molecules29214996

PMCPMC11547713

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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.