Evidence map›Paper›PMID 39934127›Full record

ArticleNature communications2025

Unraveling metal effects on CO

Nency P Domingues, Miriam J Pougin, Yutao Li, Elias Moubarak, Xin Jin, F Pelin Uran, Andres Ortega-Guerrero, Christopher P Ireland, Pascal Schouwink, Christian Schürmann and 5 more

Abstract read
In one paragraph

Article in Nature communications, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Article
  2. Article
  3. 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

15 authors.

Nency P DominguesLaboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.ORCID http://orcid.org/0000-0003-3010-7450
Miriam J PouginLaboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.
Yutao LiLaboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.
Elias MoubarakLaboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.
Xin JinLaboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.ORCID http://orcid.org/0000-0002-2618-9775
F Pelin UranLaboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.
Andres Ortega-GuerreroLaboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.
Christopher P IrelandLaboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.
Pascal SchouwinkX-ray Diffraction and Surface Analytics Platform, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.
Christian SchürmannRigaku Europe SE, Hugenottenallee 167, 63263, Neu-Isenburg, Germany.ORCID http://orcid.org/0000-0002-0568-6924
Jordi EspínLaboratory for Functional Inorganic Materials (LFIM), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.ORCID http://orcid.org/0000-0001-6381-6259
Emad OveisiInterdisciplinary Centre for Electron Microscopy (CIME), École Polytechnique Fédérale de Lausanne (EPFL), 1015, Lausanne, Switzerland.ORCID http://orcid.org/0000-0001-7483-7880
Fatmah Mish EbrahimLaboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.
Wendy Lee QueenLaboratory for Functional Inorganic Materials (LFIM), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland.
Berend SmitLaboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, 1951, Sion, Switzerland. berend.smit@epfl.ch.ORCID http://orcid.org/0000-0003-4653-8562

Funding

Partnership for Advanced Computing in Europe AISBL (PRACE) ID: pr128 and ID: mr30Swiss National Science Foundation | National Center of Competence in Research Materials' Revolution: Computational Design and Discovery of Novel Materials (NCRR Materials' Revolution: Computational Design and Discovery of Novel Materials) ID 51NF40-182892
6 · The paper itself

Abstract

Pyrene-based metal-organic frameworks (MOFs) have tremendous potential for various applications. With infinite structural possibilities, the MOF community often relies on simulations to identify the most promising candidates for given applications. Among thousands of reported structures, many exhibit limited reproducibility - in either synthesis, performance, or both - owing to the sensitivity of synthetic conditions. Geometric distortions that may arise in the functional groups of pyrene-based ligands during synthesis and/or activation cannot easily be predicted. This sometimes leads to discrepancies between in silico and experimental results. Here, we investigate a series of pyrene-based MOFs for carbon capture. These structures share the same ligand (1,3,6,8-tetrakis(p-benzoic acid)pyrene (TBAPy)) but have different metals (M-TBAPy, M = Al, Ga, In, and Sc). The ligands stack parallel in their orthorhombic crystal structure, creating a promising binding site for CO

Identifiers

PMID39934127
PMCPMC11814143

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.