Evidence map›Paper›PMID 33646769›Full record

ArticleJournal of chemical theory and computation2021

Exploring the Spatial Features of Electronic Transitions in Molecular and Biomolecular Systems by Swift Electrons.

Ciro A Guido, Enzo Rotunno, Matteo Zanfrognini, Stefano Corni, Vincenzo Grillo

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

5 authors.

Ciro A GuidoDipartimento di Scienze Chimiche, Università di Padova, via F. Marzolo 1, 35131 Padova, Italy.ORCID http://orcid.org/0000-0003-1924-2862
Enzo RotunnoCNR-NANO, Institute of Nanoscience, via Campi 213/A, Modena, Italy.ORCID http://orcid.org/0000-0003-1313-3884
Matteo ZanfrogniniCNR-NANO, Institute of Nanoscience, via Campi 213/A, Modena, Italy.
Stefano CorniDipartimento di Scienze Chimiche, Università di Padova, via F. Marzolo 1, 35131 Padova, Italy.ORCID http://orcid.org/0000-0001-6707-108X
Vincenzo GrilloCNR-NANO, Institute of Nanoscience, via Campi 213/A, Modena, Italy.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We devise a new kind of experiment that extends the technology of electron energy loss spectroscopy to probe (supra-)molecular systems: by using an electron beam in a configuration that avoids molecular damage and a very recently introduced electron optics setup for the analysis of the outcoming electrons, one can obtain information on the spatial features of the investigated excitations. Physical insight into the proposed experiment is provided by means of a simple but rigorous model to obtain the transition rate and selection rule. Numerical simulations of DNA G-quadruplexes and other biomolecular systems, based on time dependent density functional theory calculations, point out that the conceived new technique can probe the multipolar components and even the chirality of molecular transitions, superseding the usual optical spectroscopies for those cases that are problematic, such as dipole-forbidden transitions, at a very high spatial resolution.

Indexed as

Density Functional TheoryElectronsDNAElectron TransportG-QuadruplexesSpectroscopy, Electron Energy-LossDNA

Identifiers

PMID33646769
PMCPMC8047794

What OpenQuestion holds

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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.