Current and future perspectives on the structural identification of small molecules in biological systems

D. Dias; O. Jones; D. Beale; B. Boughton; D. Benheim; K. Kouremenos; J-L Wolfender; D. Wishart

doi:10.3390/metabo6040046

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Current and future perspectives on the structural identification of small molecules in biological systems

Journal article

Open access

Peer reviewed

Current and future perspectives on the structural identification of small molecules in biological systems

D. Dias, O. Jones, D. Beale, B. Boughton, D. Benheim, K. Kouremenos, J-L Wolfender and D. Wishart

Metabolites, Vol.6(4), Article 46

2016

DOI: https://doi.org/10.3390/metabo6040046

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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.

Details

Title: Current and future perspectives on the structural identification of small molecules in biological systems
Authors/Creators: D. Dias (Author/Creator) - RMIT University
O. Jones (Author/Creator)
D. Beale (Author/Creator) - Commonwealth Scientific and Industrial Research Organisation
B. Boughton (Author/Creator) - The University of Melbourne
D. Benheim (Author/Creator) - La Trobe University
K. Kouremenos (Author/Creator) - The University of Melbourne
J-L Wolfender (Author/Creator) - University of Geneva
D. Wishart (Author/Creator) - University of Alberta
Publication Details: Metabolites, Vol.6(4), Article 46
Publisher: MDPI
Identifiers: 991005540816907891
Copyright: © 2016 by the authors
Murdoch Affiliation: Murdoch University
Language: English
Resource Type: Journal article

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Collaboration types: Domestic collaboration; International collaboration
Citation topics: 2 Chemistry; 2.211 Mass Spectrometry; 2.211.990 Metabolomics
Web Of Science research areas: Biochemistry & Molecular Biology
ESI research areas: Biology & Biochemistry