Evidence map›Paper›PMID 37957206›Full record

ArticleNature communications2023

The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter.

Gonzalo Díaz Mirón, Jonathan A Semelak, Luca Grisanti, Alex Rodriguez, Irene Conti, Martina Stella, Jayaramakrishnan Velusamy, Nicola Seriani, Nadja Došlić, Ivan Rivalta and 6 more

Open access · goldAbstract read
In one paragraph

Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.

0numbers the graph read from it
0cells of the map it votes in
13citing papers in PubMed
4.6field-weighted citation impact, top 4% 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

13 citing papers in PubMed, 31 citations in OpenAlex.

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  8. Anomalous Water Fluorescence Induced by Solutes.The journal of physical chemistry letters · 2025
    Article
  9. Crystallization of L-Cysteine in Heavy Water Induces Intrinsic Fluorescence.Angewandte Chemie (International ed. in English) · 2025
    Article
  10. Article
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  13. Review
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

16 authors at 6 institutions in 5 countries.

Gonzalo Díaz MirónDepartamento de Química Inorgánica, Analítica y Química Física, Instituto de Química Física de los Materiales, Medio Ambiente y Energía (INQUIMAE), Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina.
Jonathan A SemelakDepartamento de Química Inorgánica, Analítica y Química Física, Instituto de Química Física de los Materiales, Medio Ambiente y Energía (INQUIMAE), Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina.
Luca GrisantiDivision of Theoretical Physics, Ruder Bošković Institute, Zagreb, Croatia.ORCID 0000-0003-4311-4676
Alex RodriguezCondensed Matter and Statistical Physics, The Abdus Salam International Centre for Theoretical Physics, Trieste, Italy.ORCID 0000-0002-0213-6695
Irene ContiDipartimento di Chimica industriale "Toso Montanari", Università di Bologna, Bologna, Italy.ORCID 0000-0001-7982-4480
Martina StellaCondensed Matter and Statistical Physics, The Abdus Salam International Centre for Theoretical Physics, Trieste, Italy.
Jayaramakrishnan VelusamyChemical Engineering and Biotechnology, University of Cambridge, Cambridge, UK.ORCID 0000-0003-4854-814X
Nicola SerianiCondensed Matter and Statistical Physics, The Abdus Salam International Centre for Theoretical Physics, Trieste, Italy.
Nadja DošlićDivision of Theoretical Physics, Ruder Bošković Institute, Zagreb, Croatia.
Ivan RivaltaDipartimento di Chimica industriale "Toso Montanari", Università di Bologna, Bologna, Italy.ORCID 0000-0002-1208-602X
Marco GaravelliDipartimento di Chimica industriale "Toso Montanari", Università di Bologna, Bologna, Italy.ORCID 0000-0002-0796-289X
Dario A EstrinDepartamento de Química Inorgánica, Analítica y Química Física, Instituto de Química Física de los Materiales, Medio Ambiente y Energía (INQUIMAE), Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina.ORCID 0000-0002-5006-7225
Gabriele S Kaminski SchierleChemical Engineering and Biotechnology, University of Cambridge, Cambridge, UK.ORCID 0000-0002-1843-2202
Mariano C González LebreroDepartamento de Química Inorgánica, Analítica y Química Física, Instituto de Química Física de los Materiales, Medio Ambiente y Energía (INQUIMAE), Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina.
Ali HassanaliCondensed Matter and Statistical Physics, The Abdus Salam International Centre for Theoretical Physics, Trieste, Italy. ahassana@ictp.it.ORCID 0000-0002-3208-1488
Uriel N MorzanCondensed Matter and Statistical Physics, The Abdus Salam International Centre for Theoretical Physics, Trieste, Italy. umorzan@ictp.it.
The Abdus Salam International Centre for Theoretical Physics (ICTP) · ITUniversidad de Buenos Aires · ARRuđer Bošković Institute · HRUniversity of Bologna · ITUniversity of Cambridge · GBÉcole Normale Supérieure de Lyon · FR

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Challenging the basis of our chemical intuition, recent experimental evidence reveals the presence of a new type of intrinsic fluorescence in biomolecules that exists even in the absence of aromatic or electronically conjugated chemical compounds. The origin of this phenomenon has remained elusive so far. In the present study, we identify a mechanism underlying this new type of fluorescence in different biological aggregates. By employing non-adiabatic ab initio molecular dynamics simulations combined with a data-driven approach, we characterize the typical ultrafast non-radiative relaxation pathways active in non-fluorescent peptides. We show that the key vibrational mode for the non-radiative decay towards the ground state is the carbonyl elongation. Non-aromatic fluorescence appears to emerge from blocking this mode with strong local interactions such as hydrogen bonds. While we cannot rule out the existence of alternative non-aromatic fluorescence mechanisms in other systems, we demonstrate that this carbonyl-lock mechanism for trapping the excited state leads to the fluorescence yield increase observed experimentally, and set the stage for design principles to realize novel non-invasive biocompatible probes with applications in bioimaging, sensing, and biophotonics.

Indexed as

Molecular Dynamics SimulationPeptidesFluorescenceSpectrometry, FluorescencePeptides

Identifiers

PMID37957206
PMCPMC10643446
OpenAlexW4388637082

What OpenQuestion holds

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LicenceCC BY
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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.