Evidence map›Paper›PMID 32052351›Full record

ArticleJournal of computer-aided molecular design2020

How N-(pyridin-4-yl)pyridin-4-amine and its methyl and nitro derivatives are arranged in the interlayer space of zirconium sulfophenylphosphonate: a problem solved by experimental and calculation methods.

Petr Kovář, Jakub Škoda, Miroslav Pospíšil, Klára Melánová, Jan Svoboda, Ludvík Beneš, Petr Kutálek, Vítězslav Zima, Filip Bureš

Abstract read
PubMed Publisher
In one paragraph

Article in Journal of computer-aided molecular design, 2020. 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

9 authors.

Petr KovářFaculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 121 16, Prague 2, Czech Republic.
Jakub ŠkodaFaculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 121 16, Prague 2, Czech Republic.
Miroslav PospíšilFaculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 121 16, Prague 2, Czech Republic. pospisil@karlov.mff.cuni.cz.ORCID 0000-0002-5437-0141
Klára MelánováInstitute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovského nám. 2, 162 06, Prague 6, Czech Republic.ORCID 0000-0001-7163-2476
Jan SvobodaInstitute of Organic Chemistry and Technology, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 532 10, Pardubice, Czech Republic.ORCID 0000-0001-7948-4746
Ludvík BenešJoint Laboratory of Solid State Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 84, 532 10, Pardubice, Czech Republic.ORCID 0000-0002-0936-7090
Petr KutálekJoint Laboratory of Solid State Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 84, 532 10, Pardubice, Czech Republic.
Vítězslav ZimaInstitute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovského nám. 2, 162 06, Prague 6, Czech Republic.ORCID 0000-0002-2456-2628
Filip BurešInstitute of Organic Chemistry and Technology, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 532 10, Pardubice, Czech Republic.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Classical molecular simulation methods were used for a description of an arrangement of intercalated molecules N-(pyridin-4-yl)pyridin-4-amine (AH) and its derivatives, 3-methyl-N-(pyridin-4-yl)pyridin-4-amine (AMe), and 3-nitro-N-(pyridin-4-yl)pyridin-4-amine (ANO2) within a layered structure of zirconium 4-sulfophenylphosphonate. The intercalated molecules were placed between SO

Indexed as

Models, MolecularAminesComputer SimulationHydrogen BondingMolecular StructurePyridinesZirconiumAminesPyridinesZirconiumAminopyridineIntercalationMolecular simulationsPush–pull moleculesZirconium sulfophenylphosphonate

Identifiers

PMID32052351

What OpenQuestion holds

Textmetadata
Read underepoch 390

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.