Evidence map›Paper›PMID 42124337›Full record

ArticleJournal of computational chemistry2026

Local Quadrupole Ellipticity as Predictor of Anion-Affinity in Nanographenes.

Omkar Charapale, Sergio Posada-Pérez, Albert Poater, Miquel Solà

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Journal of computational chemistry, 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

4 authors.

Omkar CharapaleInstitut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, Girona, Catalonia, Spain.ORCID https://orcid.org/0000-0003-4665-7916
Sergio Posada-PérezEenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Brussels, Belgium.ORCID https://orcid.org/0000-0003-4200-4264
Albert PoaterInstitut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, Girona, Catalonia, Spain.ORCID https://orcid.org/0000-0002-8997-2599
Miquel SolàInstitut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, Girona, Catalonia, Spain.ORCID https://orcid.org/0000-0002-1917-7450

Funding

Barcelona Supercomputing Center QHS-2025-1-0018Barcelona Supercomputing Center QHS-2025-2-0038Direcció General de Recerca, Generalitat de Catalunya 2021SGR623Direcció General de Recerca, Generalitat de Catalunya ICREA Acadèmia 2024Direcció General de Recerca, Generalitat de Catalunya ICREA Excel·lència 2025Horizon 2020 Framework Programme 945380Ministerio de Ciencia, Innovación y Universidades PID2023-147424NB-I00Ministerio de Ciencia, Innovación y Universidades PID2024-155989NB-I00Ministerio de Ciencia, Innovación y Universidades RED2024-154178-TUniversitat de Girona IFUdG2023/12
6 · The paper itself

Abstract

Anion binding to nanographenes is governed by noncovalent interactions, particularly anion-π interactions in electron-deficient aromatic regions and CH---anion hydrogen bonding in electron-rich domains. These interactions are primarily driven by electrostatic effects, with the quadrupole moment of the aromatic system playing a central role in determining the strength and directionality of anion-π binding. The perpendicular component of the quadrupole moment (Q

Identifiers

PMID42124337
PMCPMC13168782

What OpenQuestion holds

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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.