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

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 signif...
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Autor*in:	Daniel A. Dias [verfasserIn] Oliver A.H. Jones [verfasserIn] David J. Beale [verfasserIn] Berin A. Boughton [verfasserIn] Devin Benheim [verfasserIn] Konstantinos A. Kouremenos [verfasserIn] Jean-Luc Wolfender [verfasserIn] David S. Wishart [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2016

Schlagwörter:	structure elucidation metabolomics nuclear magnetic resonance spectroscopy mass spectrometry Fourier transform-infrared spectroscopy metabolite profiling

Übergeordnetes Werk:	In: Metabolites - MDPI AG, 2012, 6(2016), 4, p 46
Übergeordnetes Werk:	volume:6 ; year:2016 ; number:4, p 46

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.3390/metabo6040046

Katalog-ID:	DOAJ013462229

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allfieldsSound	10.3390/metabo6040046 doi (DE-627)DOAJ013462229 (DE-599)DOAJaccbf25c5168466490427fbafa43ed82 DE-627 ger DE-627 rakwb eng QR1-502 Daniel A. Dias verfasserin aut Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier 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. structure elucidation metabolomics nuclear magnetic resonance spectroscopy mass spectrometry Fourier transform-infrared spectroscopy metabolite profiling Microbiology Oliver A.H. Jones verfasserin aut David J. Beale verfasserin aut Berin A. Boughton verfasserin aut Devin Benheim verfasserin aut Konstantinos A. Kouremenos verfasserin aut Jean-Luc Wolfender verfasserin aut David S. Wishart verfasserin aut In Metabolites MDPI AG, 2012 6(2016), 4, p 46 (DE-627)718627164 (DE-600)2662251-8 22181989 nnns volume:6 year:2016 number:4, p 46 https://doi.org/10.3390/metabo6040046 kostenfrei https://doaj.org/article/accbf25c5168466490427fbafa43ed82 kostenfrei http://www.mdpi.com/2218-1989/6/4/46 kostenfrei https://doaj.org/toc/2218-1989 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 6 2016 4, p 46
language	English
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topic_facet	structure elucidation metabolomics nuclear magnetic resonance spectroscopy mass spectrometry Fourier transform-infrared spectroscopy metabolite profiling Microbiology
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title_auth	Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems
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.
abstractGer	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.
abstract_unstemmed	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.
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Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems

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