Evidence map›Paper›PMID 27983674›Full record

ReviewMetabolites2016

Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems.

Daniel A Dias, Oliver A H Jones, David J Beale, Berin A Boughton, Devin Benheim, Konstantinos A Kouremenos, Jean-Luc Wolfender, David S Wishart

Abstract readReview
In one paragraph

Review in Metabolites, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 59 papers.

0numbers the graph read from it
0cells of the map it votes in
59citing 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

59 citing papers in PubMed.

  1. Article
  2. Article
  3. Review
  4. Article
  5. Article
  6. 1H NMR spectra as a characteristic of herbal preparations.Journal of food science and technology · 2025
    Article
  7. Article
  8. Review
  9. Microorganisms · 2024
    Article
  10. Chemical Composition of Commercial Cannabis.Journal of agricultural and food chemistry · 2024
    Article
  11. Review
  12. Review
  13. Article
  14. Article
  15. Article
  16. Review
  17. Review
  18. Review
  19. Article
  20. 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

8 authors.

Daniel A DiasSchool of Health and Biomedical Sciences, RMIT University, 3083 Melbourne, Australia. daniel.dias@rmit.edu.au.
Oliver A H JonesAustralian Centre for Research on Separation Science (ACROSS), School of Science, RMIT University, 3001 Melbourne, Australia. oliver.jones@rmit.edu.au.
David J BealeCommonwealth Scientific and Industrial Research Organisation (CSIRO), Land and Water, EcoSciences Precinct, 4001 Brisbane, Australia. David.Beale@csiro.au.
Berin A BoughtonMetabolomics Australia, School of Biosciences, The University of Melbourne, 3010 Parkville, Australia. baboug@unimelb.edu.au.
Devin BenheimDepartment of Physiology, Anatomy and Microbiology, Latrobe University, 3086 Melbourne, Australia. D.Benheim@latrobe.edu.au.
Konstantinos A KouremenosMetabolomics Australia, Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, 3010 Parkville, Australia. konstantinos.kouremenos@unimelb.edu.au.
Jean-Luc WolfenderPhytochemistry and Bioactive Natural Products, School of Pharmaceutical Sciences, University of Geneva, University of Lausanne, CMU Rue Michel Servet 1, 1211 Geneva 11, Switzerland. Jean-Luc.Wolfender@unige.ch.
David S WishartDepartments of Computing Science and Biological Sciences, University of Alberta, Edmonton, T6G 2E8 AB, Canada. dwishart@ualberta.ca.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Although significant advances have been made in recent years, the structural elucidation of small molecules continues to remain a challenging issue for metabolite profiling. Many metabolomic studies feature unknown compounds; sometimes even in the list of features identified as "statistically significant" in the study. Such metabolic "dark matter" means that much of the potential information collected by metabolomics studies is lost. Accurate structure elucidation allows researchers to identify these compounds. This in turn, facilitates downstream metabolite pathway analysis, and a better understanding of the underlying biology of the system under investigation. This review covers a range of methods for the structural elucidation of individual compounds, including those based on gas and liquid chromatography hyphenated to mass spectrometry, single and multi-dimensional nuclear magnetic resonance spectroscopy, and high-resolution mass spectrometry and includes discussion of data standardization. Future perspectives in structure elucidation are also discussed; with a focus on the potential development of instruments and techniques, in both nuclear magnetic resonance spectroscopy and mass spectrometry that, may help solve some of the current issues that are hampering the complete identification of metabolite structure and function.

Indexed as

Fourier transform-infrared spectroscopymass spectrometrymetabolite profilingmetabolomicsnuclear magnetic resonance spectroscopystructure elucidation

Identifiers

PMID27983674
PMCPMC5192452

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.