Evidence map›Paper›PMID 41322257›Full record

ArticleMarine life science & technology2025

Impact of dispersion correction in DFT-enhanced anisotropic NMR for stereochemical elucidation of flexible marine natural products.

Lu-Ping Chi, Xiao-Lu Li, Anton F Ketzel, Armando Navarro-Vázquez, Caspar J Schattenberg, Xiao-Ming Li, Xin Li, Han Sun, Bin-Gui Wang

Abstract read
In one paragraph

Article in Marine life science & technology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Article
  2. Article
  3. The Evolving Landscape of NMR Structural Elucidation.Molecules (Basel, Switzerland) · 2026
    Review
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.

Lu-Ping Chi *CAS and Shandong Province Key Laboratory of Experimental Marine Biology, Institute of Oceanology, Chinese Academy of Sciences, and Laboratory for Marine Biology and Biotechnology, Qingdao Marine Science and Technology Center, Qingdao, 266071 China.
Xiao-Lu Li *Structural Chemistry and Computational Biophysics, Leibniz-Forschungsinstitut Für Molekulare Pharmakologie (FMP), 13125 Berlin, Germany.
Anton F KetzelStructural Chemistry and Computational Biophysics, Leibniz-Forschungsinstitut Für Molekulare Pharmakologie (FMP), 13125 Berlin, Germany.
Armando Navarro-VázquezDepartamento de Química Fundamental, Centro de Ciências Exatas E da Natureza, Universidade Federal de Pernambuco, Cidade Universitária, Recife, PE CEP 50.740-540 Brazil.
Caspar J SchattenbergStructural Chemistry and Computational Biophysics, Leibniz-Forschungsinstitut Für Molekulare Pharmakologie (FMP), 13125 Berlin, Germany.
Xiao-Ming LiCAS and Shandong Province Key Laboratory of Experimental Marine Biology, Institute of Oceanology, Chinese Academy of Sciences, and Laboratory for Marine Biology and Biotechnology, Qingdao Marine Science and Technology Center, Qingdao, 266071 China.
Xin LiCAS and Shandong Province Key Laboratory of Experimental Marine Biology, Institute of Oceanology, Chinese Academy of Sciences, and Laboratory for Marine Biology and Biotechnology, Qingdao Marine Science and Technology Center, Qingdao, 266071 China.
Han SunStructural Chemistry and Computational Biophysics, Leibniz-Forschungsinstitut Für Molekulare Pharmakologie (FMP), 13125 Berlin, Germany.
Bin-Gui WangCAS and Shandong Province Key Laboratory of Experimental Marine Biology, Institute of Oceanology, Chinese Academy of Sciences, and Laboratory for Marine Biology and Biotechnology, Qingdao Marine Science and Technology Center, Qingdao, 266071 China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Although anisotropic NMR spectroscopy has emerged as a powerful method for determining the relative configuration of complex natural products, major challenges persist with structurally flexible molecules. In this study, we conducted a systematic comparative analysis of stereochemical elucidation, combining anisotropic NMR spectroscopy and density functional theory (DFT) calculations on spiroepicoccin B ( Supplementary Information: The online version contains supplementary material available at 10.1007/s42995-025-00294-w.

Indexed as

Computer-assisted structural elucidation 3D (CASE-3D) approachResidual chemical shifts anisotropy (RCSAs)Residual dipolar couplings (RDCs)Stereochemical elucidationTD-DFT calculations

Identifiers

PMID41322257
PMCPMC12662982

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.