A Comprehensive Computational NMR Analysis of Organic Polyarsenicals including the Marine Sponge-Derived Arsenicins A-D and Their Synthetic Analogs.

Abstract read

In one paragraph

Article in Marine drugs, 2023. 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

2 authors.

Andrea DefantLaboratory of Bioorganic Chemistry, Department of Physics, University of Trento, Via Sommarive 14, I-38123 Trento, Italy.ORCID 0009-0000-2460-3015

Ines ManciniLaboratory of Bioorganic Chemistry, Department of Physics, University of Trento, Via Sommarive 14, I-38123 Trento, Italy.ORCID 0000-0003-0297-3685

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The adamantane structure of arsenicin A and nor-adamantane structures of arsenicins B-D have gained attention as unique natural polyarsenicals, as well as hits showing promising anticancer activity. The purpose of this study is to apply the predictive power of NMR DFT calculations in order to identify a valid tool to be used in the structural elucidation of similar molecules.

Indexed as

AdamantaneArsenicalsPoriferaAnimalsMagnetic Resonance SpectroscopyProtonsAdamantaneArsenicalsarsenicin AProtonscalculated NMR spectrumchemical shiftCSGTdensity functional theoryGIAOmarine metabolitepolyarsenicalstructural characterization

Identifiers

PMID37888446

DOI10.3390/md21100511

PMCPMC10608599

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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.