Evidence map›Paper›PMID 34164058›Full record

ArticleChemical science2021

Redesigning donor-acceptor Stenhouse adduct photoswitches through a joint experimental and computational study.

Romain Berraud-Pache, Eduardo Santamaría-Aranda, Bernardo de Souza, Giovanni Bistoni, Frank Neese, Diego Sampedro, Róbert Izsák

Open access · diamondAbstract read
In one paragraph

Article in Chemical science, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
2.2field-weighted citation impact, top 13% of its field
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

6 citing papers in PubMed, 33 citations in OpenAlex.

  1. Development of Parallel On-the-FlyJournal of chemical theory and computation · 2025
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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

7 authors at 3 institutions in 3 countries.

Romain Berraud-PacheMax-Planck-Institut für Kohlenforschung Kaiser-Wilhelm Platz 1 45470 Mülheim an der Ruhr Germany robert.izsak@kofo.mpg.de.ORCID https://orcid.org/0000-0002-3028-3481
Eduardo Santamaría-ArandaDepartamento de Química, Centro de Investigación en Síntesis Química (CISQ), Universidad de La Rioja Madre de Dios 53 E-26006 Logroño Spain diego.sampedro@unirioja.es.ORCID https://orcid.org/0000-0001-9570-3291
Bernardo de SouzaFAccTs GmbH Rolandstrasse 67 50677 Köln Germany.
Giovanni BistoniMax-Planck-Institut für Kohlenforschung Kaiser-Wilhelm Platz 1 45470 Mülheim an der Ruhr Germany robert.izsak@kofo.mpg.de.ORCID https://orcid.org/0000-0003-4849-1323
Frank NeeseMax-Planck-Institut für Kohlenforschung Kaiser-Wilhelm Platz 1 45470 Mülheim an der Ruhr Germany robert.izsak@kofo.mpg.de.
Diego SampedroDepartamento de Química, Centro de Investigación en Síntesis Química (CISQ), Universidad de La Rioja Madre de Dios 53 E-26006 Logroño Spain diego.sampedro@unirioja.es.ORCID https://orcid.org/0000-0003-2772-6453
Róbert IzsákMax-Planck-Institut für Kohlenforschung Kaiser-Wilhelm Platz 1 45470 Mülheim an der Ruhr Germany robert.izsak@kofo.mpg.de.ORCID https://orcid.org/0000-0001-9236-9718
Max-Planck-Institut für Kohlenforschung · DEUniversidad de La Rioja · ESSorbonne Université · FR

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Many studies have recently explored a new class of reversible photoswitching compounds named Donor-Acceptor Stenhouse Adducts (DASAs). Upon light irradiation, these systems evolve from a coloured open-chain to a colourless closed-ring form, while the thermal back-reaction occurs at room temperature. In order to fulfill the requirements for different applications, new molecules with specific properties need to be designed. For instance, shifting the activation wavelength towards the red part of the visible spectrum is of relevance to biological applications. By using accurate computational calculations, we have designed new DASAs and predicted some of their photophysical properties. Starting from well-studied donor and acceptor parts, we have shown that small chemical modifications can lead to substantial changes in both photophysical and photoswitching properties of the resulting DASAs. Furthermore, we have also analysed how these substitutions impact the electronic structure of the systems. Finally, some pertinent candidates have been successfully synthesized and their photoswitching properties have been characterized experimentally.

Identifiers

PMID34164058
PMCPMC8179403
OpenAlexW3119648757

What OpenQuestion holds

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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.