Evidence map›Paper›PMID 33977354›Full record

ReviewJournal of molecular modeling2021

Computational studies of reactivity descriptors, electronic and nonlinear optical properties of multifunctionalized fullerene ylide with acetylsalicylic acid.

Christian Aimé Njeumen, Geh Wilson Ejuh, Yannick Tadjouteu Assatse, Richard Arnaud Yossa Kamsi, Jean Marie Bienvenu Ndjaka

Abstract readReview
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In one paragraph

Review in Journal of molecular modeling, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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.

Christian Aimé NjeumenFaculty of Science, Department of Physics, Materials Science Laboratory, University of Yaoundé I, P. O. Box 812, Yaoundé, Cameroon. njeumenac@gmail.com.
Geh Wilson EjuhIUT Bandjoun, Department of General and Scientific Studies, University of Dschang, P. O. Box 134, Bandjoun, Cameroon.
Yannick Tadjouteu AssatseFaculty of Science, Department of Physics, Materials Science Laboratory, University of Yaoundé I, P. O. Box 812, Yaoundé, Cameroon.
Richard Arnaud Yossa KamsiFaculty of Science, Department of Physics, Materials Science Laboratory, University of Yaoundé I, P. O. Box 812, Yaoundé, Cameroon.
Jean Marie Bienvenu NdjakaFaculty of Science, Department of Physics, Materials Science Laboratory, University of Yaoundé I, P. O. Box 812, Yaoundé, Cameroon.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

DFT calculations were performed to study the nanostructures obtained by the multifunctionalization of one and two acetylsalicylic acid radicals on fullerene ylide. The increase in the number of aspirin molecules functionalized on fullerene ylide increases the stability of the formed nanostructures. The analysis of the vibrational spectra of these nanostructures shows that the formed systems are stable and present some vibrational modes in accordance with the experimental data. The degree of solubility and polarity of these nanostructures increases with the number of functionalized molecules. Multifunctionalization considerably improves the nonlinear optical properties of the modeled nanostructures. With functionalization of isolated aspirin molecule, the electronic properties are very improved, not too much passing to multifunctionalization. The formed nanostructures are soft, more electrophilic, and more reactive than the aspirin molecule, but with multifunctionalization the charge transfer decreases.

Indexed as

Acetylsalicylic acidFullerene ylideMultifunctionalizationNanostructures

Identifiers

PMID33977354

What OpenQuestion holds

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Registered trials

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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.