Evidence map›Paper›PMID 34123167›Full record

ArticleChemical science2020

Conformation control through concurrent N-H⋯S and N-H⋯O[double bond, length as m-dash]C hydrogen bonding and hyperconjugation effects.

Zeynab Imani, Venkateswara Rao Mundlapati, Gildas Goldsztejn, Valérie Brenner, Eric Gloaguen, Régis Guillot, Jean-Pierre Baltaze, Katia Le Barbu-Debus, Sylvie Robin, Anne Zehnacker and 2 more

Abstract read
In one paragraph

Article in Chemical science, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing 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

4 citing papers in PubMed.

  1. Article
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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

12 authors.

Zeynab ImaniInstitut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), CNRS, Université Paris-Saclay 91405 Orsay France david.aitken@u-psud.fr.ORCID https://orcid.org/0000-0003-0161-5106
Venkateswara Rao MundlapatiLaboratoire Interactions, Dynamiques et Lasers (LIDYL), CEA, CNRS, Université Paris-Saclay 91191 Gif-sur-Yvette France michel.mons@cea.fr.ORCID https://orcid.org/0000-0003-0559-9684
Gildas GoldsztejnLaboratoire Interactions, Dynamiques et Lasers (LIDYL), CEA, CNRS, Université Paris-Saclay 91191 Gif-sur-Yvette France michel.mons@cea.fr.ORCID https://orcid.org/0000-0002-9123-6419
Valérie BrennerLaboratoire Interactions, Dynamiques et Lasers (LIDYL), CEA, CNRS, Université Paris-Saclay 91191 Gif-sur-Yvette France michel.mons@cea.fr.ORCID https://orcid.org/0000-0002-8004-1157
Eric GloaguenLaboratoire Interactions, Dynamiques et Lasers (LIDYL), CEA, CNRS, Université Paris-Saclay 91191 Gif-sur-Yvette France michel.mons@cea.fr.ORCID https://orcid.org/0000-0002-1023-2791
Régis GuillotInstitut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), CNRS, Université Paris-Saclay 91405 Orsay France david.aitken@u-psud.fr.ORCID https://orcid.org/0000-0002-9003-0670
Jean-Pierre BaltazeInstitut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), CNRS, Université Paris-Saclay 91405 Orsay France david.aitken@u-psud.fr.ORCID https://orcid.org/0000-0001-7271-8538
Katia Le Barbu-DebusInstitut des Sciences Moléculaires d'Orsay (ISMO), CNRS, Université Paris-Saclay 91405 Orsay France.ORCID https://orcid.org/0000-0003-4019-4973
Sylvie RobinInstitut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), CNRS, Université Paris-Saclay 91405 Orsay France david.aitken@u-psud.fr.ORCID https://orcid.org/0000-0003-3450-1412
Anne ZehnackerInstitut des Sciences Moléculaires d'Orsay (ISMO), CNRS, Université Paris-Saclay 91405 Orsay France.ORCID https://orcid.org/0000-0001-5540-0667
Michel MonsLaboratoire Interactions, Dynamiques et Lasers (LIDYL), CEA, CNRS, Université Paris-Saclay 91191 Gif-sur-Yvette France michel.mons@cea.fr.ORCID https://orcid.org/0000-0001-9930-831X
David J AitkenInstitut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), CNRS, Université Paris-Saclay 91405 Orsay France david.aitken@u-psud.fr.ORCID https://orcid.org/0000-0002-5164-6042

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In addition to the classical N-H⋯O[double bond, length as m-dash]C non-covalent interaction, less conventional types of hydrogen bonding, such as N-H⋯S, may play a key role in determining the molecular structure. In this work, using theoretical calculations in combination with spectroscopic analysis in both gas phase and solution phase, we demonstrate that both these H-bonding modes exist simultaneously in low-energy conformers of capped derivatives of Attc, a thietane α-amino acid. 6-Membered ring inter-residue N-H⋯S interactions (C6

Identifiers

PMID34123167
PMCPMC8163419

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.