Evidence map›Paper›PMID 42662647›Full record

ArticleACS omega2026

Theoretical Analysis of Electronic, Vibrational Properties, and Noncovalent Interactions in Methylxanthines: Monomers to Antiparallel Dimers.

Raúl Mendoza-Báez, Dolores Garcia-Toral, Alexandra Deriabina, María Patricia Sánchez Gutiérrez, Víctor M Vázquez-Báez, Akari Narayama Sosa Camposeco, Alexandra Bustamante Camacho, Gregorio Hernández Cocoletzi, Juan Francisco Rivas-Silva

Abstract read
In one paragraph

Article in ACS omega, 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

9 authors.

Raúl Mendoza-BáezDepartamento de Química, Centro de Investigación y de Estudios Avanzados del IPN (Cinvestav), Avenida IPN 2508, Col. San Pedro Zacatenco, Ciudad de México 07360, México.
Dolores Garcia-ToralFacultad de Ingeniería Química, Benemérita Universidad Autónoma de Puebla, Av. San Claudio y 18 Sur S/N, San Manuel, Puebla 72570, México.ORCID https://orcid.org/0000-0001-7944-4242
Alexandra DeriabinaFacultad de Ciencias Físico Matemáticas, Benemérita Universidad Autónoma de Puebla, Puebla 72570, México.
María Patricia Sánchez GutiérrezFacultad de Ciencias Físico Matemáticas, Benemérita Universidad Autónoma de Puebla, Puebla 72570, México.
Víctor M Vázquez-BáezFacultad de Ingeniería, Benemérita Universidad Autónoma de Puebla, Puebla 72570, México.
Akari Narayama Sosa CamposecoInstituto de Física "Ing. Luis Rivera Terrazas", Benemérita Universidad Autónoma de Puebla, Av. San Claudio y Blvd. 18 Sur, Col. San Manuel, Ciudad Universitaria, Puebla, Pue. 72570, México.
Alexandra Bustamante CamachoInstituto de Física "Ing. Luis Rivera Terrazas", Benemérita Universidad Autónoma de Puebla, Av. San Claudio y Blvd. 18 Sur, Col. San Manuel, Ciudad Universitaria, Puebla, Pue. 72570, México.
Gregorio Hernández CocoletziInstituto de Física "Ing. Luis Rivera Terrazas", Benemérita Universidad Autónoma de Puebla, Av. San Claudio y Blvd. 18 Sur, Col. San Manuel, Ciudad Universitaria, Puebla, Pue. 72570, México.
Juan Francisco Rivas-SilvaInstituto de Física "Ing. Luis Rivera Terrazas", Benemérita Universidad Autónoma de Puebla, Av. San Claudio y Blvd. 18 Sur, Col. San Manuel, Ciudad Universitaria, Puebla, Pue. 72570, México.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This study provides a comprehensive characterization of methylxanthines in monomeric and antiparallel dimeric configurations using DFT-D3 and SAPT0 analysis. Our results elucidate a synergistic interplay between hydrogen bonding and π-π stacking, where London dispersion accounts for over 50% of the total attractive forces. The wide HOMO-LUMO gaps (7.2-9.4 eV) obtained with M06-2X and ωB97X correlate with minimal induction contributions (E

Identifiers

PMID42662647
PMCPMC13520041

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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.