Global chemical analysis of biology by mass spectrometry

被引:154
作者
Aksenov, Alexander A. [1 ,2 ]
da Silva, Ricardo [1 ,2 ]
Knight, Rob [1 ,3 ,4 ]
Lopes, Norberto P. [5 ]
Dorrestein, Pieter C. [1 ,2 ,3 ,6 ]
机构
[1] Univ Calif San Diego, Ctr Microbiome Innovat, San Diego, CA 92103 USA
[2] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, Collaborat Mass Spectrometry Innovat Ctr, San Diego, CA 92103 USA
[3] Univ Calif San Diego, Dept Pediat, San Diego, CA 92103 USA
[4] Univ Calif San Diego, Dept Comp Sci & Engn, San Diego, CA 92093 USA
[5] Univ Sao Paulo, Sch Pharmaceut Sci Ribeirao Preto, Dept Phys & Chem, Nucleo Pesquisa Prod Nat & Sintet, BR-14040903 Ribeirao Preto, SP, Brazil
[6] Univ Calif San Diego, Dept Pharmacol, San Diego, CA 92093 USA
基金
美国国家卫生研究院;
关键词
SMALL-MOLECULE IDENTIFICATION; METABOLITE IDENTIFICATION; NATURAL-PRODUCTS; MINIMUM INFORMATION; LIQUID-CHROMATOGRAPHY; STATISTICAL-ANALYSIS; STRUCTURE DATABASES; LARGE-SCALE; METABOLOMICS; MS;
D O I
10.1038/s41570-017-0054
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Mass spectrometry instruments measure the mass to charge ratio of ions, from which we infer the molecular structures. They are key tools for investigating the incredibly diverse chemistry that is associated with biological systems. Typically, when one thinks about the chemistry of biology, one thinks of biochemical pathways, structural lipids or carbohydrates. However, numerous additional chemistries are part of various biological systems. These include molecules that originate from diet, water treatment, personal care, medications, pollutants and environmental exposures including plastics, clothes and furniture. These principles apply not only to people but to all of biology, from the worms at the bottom of the ocean, to the bacteria in our belly buttons and to the birds that fly over Mount Everest. In the past decade, our capacity to inventory the chemistry of biological systems using mass spectrometry at a global level has been revolutionized. In this Review, we discuss the informatics and hardware tools that are available for small-molecule analysis and provide an overview of the tools that could transform how we study the chemistry of biological systems; perhaps in the future this will be as easy as taking a photograph with a smartphone.
引用
收藏
页数:20
相关论文
共 190 条
[11]   Wireless gas detection with a smartphone via rf communication [J].
Azzarelli, Joseph M. ;
Mirica, Katherine A. ;
Ravnsbaek, Jens B. ;
Swager, Timothy M. .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2014, 111 (51) :18162-18166
[12]  
Baker M, 2016, NATURE, V533, P452, DOI 10.1038/533452a
[13]   Wearable Chemical Sensors: Present Challenges and Future Prospects [J].
Bandodkar, Amay J. ;
Jeerapan, Itthipon ;
Wang, Joseph .
ACS SENSORS, 2016, 1 (05) :464-482
[14]   Training in metabolomics research. II. Processing and statistical analysis of metabolomics data, metabolite identification, pathway analysis, applications of metabolomics and its future [J].
Barnes, Stephen ;
Benton, H. Paul ;
Casazza, Krista ;
Cooper, Sara J. ;
Cui, Xiangqin ;
Du, Xiuxia ;
Engler, Jeffrey ;
Kabarowski, Janusz H. ;
Li, Shuzhao ;
Pathmasiri, Wimal ;
Prasain, Jeevan K. ;
Renfrowa, Matthew B. ;
Tiwarie, Hemant K. .
JOURNAL OF MASS SPECTROMETRY, 2016, 51 (08) :535-548
[15]   Coupled-cluster theory in quantum chemistry [J].
Bartlett, Rodney J. ;
Musial, Monika .
REVIEWS OF MODERN PHYSICS, 2007, 79 (01) :291-352
[16]   How to Compute Electron Ionization Mass Spectra from First Principles [J].
Bauer, Christoph Alexander ;
Grimme, Stefan .
JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 120 (21) :3755-3766
[17]   Quantitative Comparison of Tandem Mass Spectra Obtained on Various Instruments [J].
Bazso, Fanni Laura ;
Ozohanics, Oliver ;
Schlosser, Gitta ;
Ludanyi, Krisztina ;
Vekey, Karoly ;
Drahos, Laszlo .
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 2016, 27 (08) :1357-1365
[18]   Direct resistively heated column gas chromatography (Ultrafast module-GC) for high-speed analysis of essential oils of differing complexities [J].
Bicchi, C ;
Brunelli, C ;
Cordero, C ;
Rubiolo, P ;
Galli, M ;
Sironi, A .
JOURNAL OF CHROMATOGRAPHY A, 2004, 1024 (1-2) :195-207
[19]   Searching molecular structure databases using tandem MS data: are we there yet? [J].
Boecker, Sebastian .
CURRENT OPINION IN CHEMICAL BIOLOGY, 2017, 36 :1-6
[20]   SIRIUS: decomposing isotope patterns for metabolite identification [J].
Boecker, Sebastian ;
Letzel, Matthias C. ;
Liptak, Zsuzsanna ;
Pervukhin, Anton .
BIOINFORMATICS, 2009, 25 (02) :218-224