Evidence map›Paper›PMID 41194408›Full record

ArticleChemistryOpen2026

Ruthenium-Catalyzed CH Alkenylation of Trypanocidal Naphthoquinones: A Mechanistic Benchmarking Study.

Esther R S Paz, Cauê P Souza, Joyce C De Oliveira, Renata G Almeida, Chonny Herrera-Acevedo, Sulaiman Lakoh, Guilherme A M Jardim, Eufrânio N da Silva Júnior, Felipe Fantuzzi

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in ChemistryOpen, 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.

Esther R S PazInstituto de Ciências Exatas, Departamento de Química, Universidade Federal de Minas Gerais, Belo Horizonte, MG, 31270-901, Brazil.ORCID https://orcid.org/0000-0001-5489-5100
Cauê P SouzaChemistry and Forensic Science, School of Natural Sciences, University of Kent, Park Wood Road, Canterbury, CT2 7NH, UK.ORCID https://orcid.org/0000-0001-5545-004X
Joyce C De OliveiraInstituto de Ciências Exatas, Departamento de Química, Universidade Federal de Minas Gerais, Belo Horizonte, MG, 31270-901, Brazil.
Renata G AlmeidaInstituto de Ciências Exatas, Departamento de Química, Universidade Federal de Minas Gerais, Belo Horizonte, MG, 31270-901, Brazil.
Chonny Herrera-AcevedoDepartment of Chemical Engineering, Universidad ECCI, Carrera 19 # 49-20, 111311, Bogotá D.C., Colombia.ORCID https://orcid.org/0000-0002-6220-9091
Sulaiman LakohDepartment of Internal Medicine, College of Medicine and Allied Health Sciences, University of Sierra Leone, Freetown, Sierra Leone.ORCID https://orcid.org/0000-0002-7639-0004
Guilherme A M JardimInstituto de Ciências Exatas, Departamento de Química, Universidade Federal de Minas Gerais, Belo Horizonte, MG, 31270-901, Brazil.ORCID https://orcid.org/0000-0002-9882-3085
Eufrânio N da Silva JúniorInstituto de Ciências Exatas, Departamento de Química, Universidade Federal de Minas Gerais, Belo Horizonte, MG, 31270-901, Brazil.ORCID https://orcid.org/0000-0003-1281-5453
Felipe FantuzziChemistry and Forensic Science, School of Natural Sciences, University of Kent, Park Wood Road, Canterbury, CT2 7NH, UK.ORCID https://orcid.org/0000-0002-8200-8262

Funding

CAPESFAPEMIG APQ-00724-23FAPEMIG APQ-01538-24FAPEMIG APQ-04401-23,FAPEMIG TEC-RED-00081-23Royal Society ISPF International Collaboration Awards 2024 ICAO\R1\241112
6 · The paper itself

Abstract

Quinones are privileged scaffolds in biological redox chemistry and drug discovery, but methods to install versatile click handles onto their cores remain scarce. This work presents a comprehensive computational study of the Ru(II)-catalyzed CH alkenylation of menadione with ethenesulfonyl fluoride, a transformation that introduces sulfonyl-fluoride groups for subsequent SuFEx chemistry. Nine density functionals-from GGAs to double hybrids-are first benchmarked against DLPNO-CCSD(T) reference energies for all key on-cycle intermediates and transition states along the cationic [Ru(OAc)(p-cymene)]

Indexed as

CH activationdensity functional calculationsdrug discoveryquinonesruthenium

Identifiers

PMID41194408
PMCPMC12927953

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

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.