Evidence map›Paper›PMID 30740288›Full record

ArticleChemistryOpen2019

Designing Self-Assembled Rosettes: Why Ammeline is a Superior Building Block to Melamine.

Andre Nicolai Petelski, Célia Fonseca Guerra

Abstract read
In one paragraph

Article in ChemistryOpen, 2019. 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
–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

6 citing papers in PubMed.

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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

2 authors.

Andre Nicolai PetelskiDepartment of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling Vrije Universiteit Amsterdam De Boelelaan 1083 1081 HV Amsterdam The Netherlands.ORCID 0000-0003-3807-8578
Célia Fonseca GuerraDepartment of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling Vrije Universiteit Amsterdam De Boelelaan 1083 1081 HV Amsterdam The Netherlands.ORCID 0000-0002-2973-5321

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In supramolecular chemistry, the rational design of self-assembled systems remains a challenge. Herein, hydrogen-bonded rosettes of melamine and ammeline have been theoretically examined by using dispersion-corrected density functional theory (DFT-D). Our bonding analyses, based on quantitative Kohn-Sham molecular orbital theory and corresponding energy decomposition analyses (EDA), show that ammeline is a much better building block than melamine for the fabrication of cyclic complexes based on hydrogen bonds. This superior capacity is explained by both stronger hydrogen bonding and the occurrence of a strong synergy.

Indexed as

cooperative effectshydrogen bondsrosettesself-assemblysupramolecular chemistry

Identifiers

PMID30740288
PMCPMC6356174

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.