Evidence map›Paper›PMID 41116231›Full record

ArticleJournal of the American Chemical Society2025

Virtual Ligand-Assisted Screening for the Generation of Ketyl Radicals from Alkyl Ketones via Photoexcited Palladium Catalysis.

Kosaku Tanaka, Ren Yamada, Suvankar Debbarma, Wataru Kanna, Hiroki Hayashi, Wataru Matsuoka, Satoshi Maeda, Tsuyoshi Mita

Abstract read
In one paragraph

Article in Journal of the American Chemical Society, 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

8 authors.

Kosaku TanakaResearch Foundation ITSUU Laboratory, C1232 Kanagawa Science Park R & D Building, 3-2-1 Sakado, Takatsu-ku, Kawasaki, Kanagawa 213-0012, Japan.ORCID 0000-0002-3591-5409
Ren YamadaDepartment of Chemistry, Faculty of Science, Hokkaido University, Kita 10, Nishi 8, Kita-ku, Sapporo, Hokkaido 060-0810, Japan.ORCID 0009-0000-5061-6485
Suvankar DebbarmaInstitute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21, Nishi 10, Kita-ku, Sapporo, Hokkaido 001-0021, Japan.ORCID 0000-0002-6467-8764
Wataru KannaDepartment of Chemistry, Faculty of Science, Hokkaido University, Kita 10, Nishi 8, Kita-ku, Sapporo, Hokkaido 060-0810, Japan.ORCID 0000-0002-2931-6661
Hiroki HayashiInstitute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21, Nishi 10, Kita-ku, Sapporo, Hokkaido 001-0021, Japan.ORCID 0000-0003-2081-6886
Wataru MatsuokaInstitute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21, Nishi 10, Kita-ku, Sapporo, Hokkaido 001-0021, Japan.ORCID 0000-0002-8342-249X
Satoshi MaedaInstitute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21, Nishi 10, Kita-ku, Sapporo, Hokkaido 001-0021, Japan.ORCID 0000-0001-8822-1147
Tsuyoshi MitaInstitute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21, Nishi 10, Kita-ku, Sapporo, Hokkaido 001-0021, Japan.ORCID 0000-0002-6655-3439

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Ketyl radicals are versatile radical intermediates that enable diverse C-C-bond-forming reactions. However, their generation from substrates with highly negative potentials such as alkyl ketones via single-electron reduction remains underdeveloped. In this study, we report a new strategy that harnesses the strong reducing power of photoexcited palladium species to provide access to ketyl radicals from alkyl ketones and to promote subsequent C-C-bond-forming reactions. The key to this approach is a computationally guided virtual ligand-assisted screening (VLAS) strategy. Mechanistic investigations revealed that back-electron transfer (BET) is the major factor suppressing reactivity. By systematically evaluating virtual phosphine ligands with varying electronic and steric properties, we established design guidelines for ligands that effectively suppress BET and promote the desired transformations. Using the optimized ligands identified through VLAS, we developed efficient reductive couplings and Heck-type reactions involving both unactivated alkenes and alkynes, which are challenging substrates under conventional SmI

Identifiers

PMID41116231
PMCPMC12576828

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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.