search.noResults

search.searching

dataCollection.invalidEmail
note.createNoteMessage

search.noResults

search.searching

orderForm.title

orderForm.productCode
orderForm.description
orderForm.quantity
orderForm.itemPrice
orderForm.price
orderForm.totalPrice
orderForm.deliveryDetails.billingAddress
orderForm.deliveryDetails.deliveryAddress
orderForm.noItems
Perspective Metz, Baker, Schymanski et al.


Financial & competing interests disclosure This work was supported by the Pacific Northwest National Laboratory (PNNL) Laboratory Directed Research and Devel- opment program and is a contribution of the Global Forensic Chemical Exposure Assessment for the Environmental Expo- some project (JG Teeguarden and TO Metz) and the Microbi- omes in Transition Initiative (RS Renslow and TO Metz), as well as the National Institutes of Health National Institute of Envi- ronmental Health Sciences grant R01ES022190) (ES Baker). EL Schymanski was supported in part by the SOLUTIONS project, funded by the European Union’s Seventh Framework Pro- gramme for research, technological development and demon- stration under Grant Agreement No. 603437. TJ Causon and S Hann would like to thank the Vienna Business Agency for funding, as well as EQ BOKU VIBT GmbH for providing mass spectrometry instrumentation. Research to develop Structures for Lossless Ion Manipulations (SLIM) was supported by the National


Institutes of Health, National Institute of General


Medical Sciences grant P41 GM103493 (RD Smith), and the US Department of Energy Office of Biological and Environ- mental Research via the Genome Science Program and is a contribution of the PNNL Pan-omics Program (RD Smith). The authors would like to thank Nathan Johnson for assistance in preparing figures. PNNL is a multiprogram national laboratory operated by Battelle for the DOE under Contract DE-AC05– 76RLO 1830. Co-author RD Smith is a co-inventor on one of the patents licensed by Agilent for the 6560 IMS-QTOF MS instrument utilized for some of the work presented in this pa- per. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or ma- terials discussed in the manuscript apart from those disclosed. No writing assistance was utilized in the production of this


manuscript.


Open access This work is licensed under the Attribution-NonCommercial- No Derivatives 4.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/4.0


References Papers of special note have been highlighted as: •• of considerable interest.


1 Wild CP. Complementing the genome with an ‘exposome’: the outstanding challenge of environmental exposure measurement in molecular epidemiology. Cancer Epidemiol. Biomarkers Prev. 14(8), 1847–1850 (2005).


••


Introduces the concept of the exposome and the rationale for measuring it, citing the relative lack of expected progress from previous genome-based studies.


2 Wild CP. The exposome: from concept to utility. Int. J. Epidemiol. 41(1), 24–32 (2012).


3 Thomas D. Gene–environment-wide association studies: emerging approaches. Nat. Rev. Genet. 11(4), 259–272


(2010). 4


Norris SL, Nichols PJ, Caspersen CJ et al. The effectiveness of disease and case management for people with diabetes: a systematic review. Am. J. Prev. Med. 22(4), 15–38 (2002).


5 Committee on Human and Environmental Exposure Science in the 21st Century. Exposure Science in the 21st Century: A Vision and a Strategy. The National Academies Press, Washington, DC (2012).


6 Weis BK, Balshaw D, Barr JR et al. Personalized exposure assessment: promising approaches for human environmental health research. Environ. Health Perspect. 113(7), 840–848 (2005).


7


Johnson CH, Patterson AD, Idle JR, Gonzalez FJ. Xenobiotic metabolomics: major impact on the metabolome. Annu. Rev. Pharmacol. Toxicol. 52, 37–56 (2012).


8 Bundy JG, Davey MP, Viant MR. Environmental metabolomics: a critical review and future perspectives. Metabolomics 5(1), 3–21 (2008).


9 Vineis P, Khan AE, Vlaanderen J, Vermeulen R. The impact of new research technologies on our understanding of environmental causes of disease: the concept of clinical vulnerability. Environ. Health 8, 54 (2009).


10 Athersuch T. Metabolome analyses in exposome studies: profiling methods for a vast chemical space. Arch. Biochem. Biophys. 589, 177–186 (2016).


11 Ruddigkeit L, Awale M, Reymond JL. Expanding the fragrance chemical space for virtual screening. J. Cheminform. 6, 27 (2014).


12 O’hagan S, Kell DB. Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolites. Front. Pharmacol. 6, 105 (2015).


13 Wishart DS. Advances in metabolite identification. Bioanalysis 3(15), 1769–1782 (2011).


14 Menikarachchi LC, Hill DW, Hamdalla MA, Mandoiu II, Grant DF. In silico enzymatic synthesis of a 400,000 compound biochemical database for nontargeted metabolomics. J. Chem. Inf. Model. 53(9), 2483–2492 (2013).


15 Peironcely JE, Reijmers T, Coulier L, Bender A, Hankemeier T. Understanding and classifying metabolite space and metabolite-likeness. PLoS ONE 6(12), e28966 (2011).


16 Senko MW, Beu SC, Mclaffertycor FW. Determination of monoisotopic masses and ion populations for large biomolecules from resolved isotopic distributions. J. Am. Soc. Mass Spectrom. 6(4), 229–233 (1995).


17 Metz TO, Zhang Q, Page JS et al. The future of liquid chromatography–mass spectrometry (LC-MS) in metabolic profiling and metabolomic studies for biomarker discovery. Biomark. Med. 1(1), 159–185 (2007).


18 Stein SE, Ausloos P, Lias SG. Comparative evaluations of mass spectral databases. J. Am. Soc. Mass Spectrom. 2(5), 441–443 (1991).


19 Ausloos P, Clifton CL, Lias SG et al. The critical evaluation of a comprehensive mass spectral library. J. Am. Soc. Mass Spectrom. 10(4), 287–299 (1999).


20 Smith CA, O’maille G, Want EJ et al. METLIN: a 41 Bioanalysis (2017) Bioanalysis (2017) 9(1), 81–98(1) future science group


Page 1  |  Page 2  |  Page 3  |  Page 4  |  Page 5  |  Page 6  |  Page 7  |  Page 8  |  Page 9  |  Page 10  |  Page 11  |  Page 12  |  Page 13  |  Page 14  |  Page 15  |  Page 16  |  Page 17  |  Page 18  |  Page 19  |  Page 20  |  Page 21  |  Page 22  |  Page 23  |  Page 24  |  Page 25  |  Page 26  |  Page 27  |  Page 28  |  Page 29  |  Page 30  |  Page 31  |  Page 32  |  Page 33  |  Page 34  |  Page 35  |  Page 36  |  Page 37  |  Page 38  |  Page 39  |  Page 40  |  Page 41  |  Page 42  |  Page 43  |  Page 44  |  Page 45  |  Page 46  |  Page 47  |  Page 48  |  Page 49  |  Page 50  |  Page 51  |  Page 52  |  Page 53  |  Page 54  |  Page 55  |  Page 56  |  Page 57  |  Page 58