Utilizing ion mobility spectrometry and mass spectrometry for the analysis of polycyclic aromatic hydrocarbons, polychlorinated biphenyls, polybrominated diphenyl ethers and their metabolites

Zheng, Xueyun; Dupuis, Kevin T.; Aly, Noor A.; Zhou, Yuxuan; Smith, Francesca B.; Tang, Keqi; Smith, Richard D.; Baker, Erin S.

doi:10.1016/j.aca.2018.02.054

Title: Utilizing ion mobility spectrometry and mass spectrometry for the analysis of polycyclic aromatic hydrocarbons, polychlorinated biphenyls, polybrominated diphenyl ethers and their metabolites

Journal Article · 01 March 2018 · Analytica Chimica Acta

DOI: https://doi.org/10.1016/j.aca.2018.02.054 · OSTI ID:1437019

^[1]; Dupuis, Kevin T. ^[1]; Aly, Noor A. ^[1]; Zhou, Yuxuan ^[1]; Smith, Francesca B. ^[1]; Tang, Keqi ^[1]; Smith, Richard D. ^[1];

^[1]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Biological Sciences Division

Polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) are persistent environmental pollutants originating from incomplete combustion of organic materials and synthetic sources. PAHs, PCBs, and PBDEs have all been shown to have a significant effect on human health with correlations to cancer and other diseases. Therefore, measuring the presence of these xenobiotics in the environment and human body is imperative for assessing their health risks. To date, their analyses require both gas chromatography and liquid chromatography separations in conjunction with mass spectrometry measurements for detection of both the parent molecules and their hydroxylated metabolites, making their studies extremely time consuming. Here in this work, we characterized PAHs, PCBs, PBDEs and their hydroxylated metabolites using ion mobility spectrometry coupled with mass spectrometry (IMS-MS) and in combination with different ionization methods including electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI). In conclusion, the collision cross section and m/z trend lines derived from the IMS-MS analyses displayed distinct trends for each molecule type. Additionally, the rapid isomeric and molecular separations possible with IMS-MS showed great promise for quickly distinguishing the parent and metabolized PAH, PCB, and PDBE molecules in complex environmental and biological samples.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1437019

Alternate ID(s):: OSTI ID: 1503620; OSTI ID: 1703100; OSTI ID: 22763906

Report Number(s):: PNNL-SA--130591; {"PII: S0003267018302824","Journal ID: ISSN 0003-2670"}

Journal Information:: Analytica Chimica Acta, Journal Name: Analytica Chimica Acta Vol. 1037; ISSN 0003-2670

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (36)

Negative ion-atmospheric pressure photoionization-mass spectrometry Kauppila, Tiina J.; Kotiaho, Tapio; Kostiainen, Risto Journal of the American Society for Mass Spectrometry, Vol. 15, Issue 2 https://doi.org/10.1016/j.jasms.2003.10.012	journal	February 2004
Towards a global historical emission inventory for selected PCB congeners — A mass balance approach Breivik, Knut; Sweetman, Andy; Pacyna, Jozef M. Science of The Total Environment, Vol. 377, Issue 2-3 https://doi.org/10.1016/j.scitotenv.2007.02.026	journal	May 2007
Atmospheric Pressure Photoionization. 1. General Properties for LC/MS Hanold, Karl A.; Fischer, Stephen M.; Cormia, Patricia H. Analytical Chemistry, Vol. 76, Issue 10 https://doi.org/10.1021/ac035442i	journal	May 2004
PCBs and OH-PCBs in Serum from Children and Mothers in Urban and Rural U.S. Communities Marek, Rachel F.; Thorne, Peter S.; Wang, Kai Environmental Science & Technology, Vol. 47, Issue 7 https://doi.org/10.1021/es304455k	journal	March 2013
Polychlorinated Biphenyls (PCBs): Routes of Exposure and Effects on Human Health Carpenter, David O. Reviews on Environmental Health, Vol. 21, Issue 1 https://doi.org/10.1515/REVEH.2006.21.1.1	journal	January 2006
Cumulative exposure assessment for trace-level polycyclic aromatic hydrocarbons (PAHs) using human blood and plasma analysis Pleil, J. D.; Stiegel, M. A.; Sobus, J. R. Journal of Chromatography B, Vol. 878, Issue 21 https://doi.org/10.1016/j.jchromb.2010.04.035	journal	July 2010
A review of airborne polycyclic aromatic hydrocarbons (PAHs) and their human health effects Kim, Ki-Hyun; Jahan, Shamin Ara; Kabir, Ehsanul Environment International, Vol. 60 https://doi.org/10.1016/j.envint.2013.07.019	journal	October 2013
Distinguishing d - and l -aspartic and isoaspartic acids in amyloid β peptides with ultrahigh resolution ion mobility spectrometry Zheng, Xueyun; Deng, Liulin; Baker, Erin S. Chemical Communications, Vol. 53, Issue 56 https://doi.org/10.1039/C7CC03321D	journal	January 2017
Structural Elucidation of cis / trans Dicaffeoylquinic Acid Photoisomerization Using Ion Mobility Spectrometry-Mass Spectrometry Zheng, Xueyun; Renslow, Ryan S.; Makola, Mpho M. The Journal of Physical Chemistry Letters, Vol. 8, Issue 7 https://doi.org/10.1021/acs.jpclett.6b03015	journal	March 2017
Uncovering biologically significant lipid isomers with liquid chromatography, ion mobility spectrometry and mass spectrometry Kyle, Jennifer E.; Zhang, Xing; Weitz, Karl K. The Analyst, Vol. 141, Issue 5 https://doi.org/10.1039/C5AN02062J	journal	January 2016
Polybrominated Diphenyl Ethers (PBDEs): New Pollutants-Old Diseases Siddiqi, M. A.; Laessig, R. H.; Reed, K. D. Clinical Medicine & Research, Vol. 1, Issue 4 https://doi.org/10.3121/cmr.1.4.281	journal	October 2003
An Interlaboratory Evaluation of Drift Tube Ion Mobility–Mass Spectrometry Collision Cross Section Measurements Stow, Sarah M.; Causon, Tim J.; Zheng, Xueyun Analytical Chemistry, Vol. 89, Issue 17 https://doi.org/10.1021/acs.analchem.7b01729	journal	August 2017
Dietary exposure to polychlorinated biphenyls and risk of breast, endometrial and ovarian cancer in a prospective cohort Donat-Vargas, Carolina; Åkesson, Agneta; Berglund, Marika British Journal of Cancer, Vol. 115, Issue 9 https://doi.org/10.1038/bjc.2016.282	journal	September 2016
Towards unsupervised polyaromatic hydrocarbons structural assignment from SA-TIMS –FTMS data Benigni, Paolo; Marin, Rebecca; Fernandez-Lima, Francisco International Journal for Ion Mobility Spectrometry, Vol. 18, Issue 3-4 https://doi.org/10.1007/s12127-015-0175-y	journal	June 2015
Isomer separation of polybrominated diphenyl ether metabolites using nanoESI-TIMS-MS Adams, Kendra J.; Montero, Dennise; Aga, Diana International Journal for Ion Mobility Spectrometry, Vol. 19, Issue 2-3 https://doi.org/10.1007/s12127-016-0198-z	journal	April 2016
A structural examination and collision cross section database for over 500 metabolites and xenobiotics using drift tube ion mobility spectrometry Zheng, Xueyun; Aly, Noor A.; Zhou, Yuxuan Chem. Sci., Vol. 8, Issue 11 https://doi.org/10.1039/C7SC03464D	journal	January 2017
A review on polycyclic aromatic hydrocarbons: Source, environmental impact, effect on human health and remediation Abdel-Shafy, Hussein I.; Mansour, Mona S. M. Egyptian Journal of Petroleum, Vol. 25, Issue 1 https://doi.org/10.1016/j.ejpe.2015.03.011	journal	March 2016
Health effects and exposure to polychlorinated biphenyls (PCBs) and metals in a contaminated community Helmfrid, Ingela; Berglund, Marika; Löfman, Owe Environment International, Vol. 44 https://doi.org/10.1016/j.envint.2012.01.009	journal	September 2012
Fast analysis of 29 polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs with ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry Lung, Shih-Chun Candice; Liu, Chun-Hu Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep12992	journal	August 2015
Development of a new ion mobility time-of-flight mass spectrometer Ibrahim, Yehia M.; Baker, Erin S.; Danielson, William F. International Journal of Mass Spectrometry, Vol. 377 https://doi.org/10.1016/j.ijms.2014.07.034	journal	February 2015
Prenatal Exposure to PBDEs and Neurodevelopment Herbstman, Julie B.; Sjödin, Andreas; Kurzon, Matthew Environmental Health Perspectives, Vol. 118, Issue 5 https://doi.org/10.1289/ehp.0901340	journal	May 2010
Detection and Monitoring of PAH and Oxy-PAHs by High Resolution Mass Spectrometry: Comparison of ESI, APCI and APPI Source Detection Ghislain, Thierry; Faure, Pierre; Michels, Raymond Journal of The American Society for Mass Spectrometry, Vol. 23, Issue 3 https://doi.org/10.1007/s13361-011-0304-8	journal	January 2012
Fast and Simultaneous Determination of Urinary 8-Hydroxy-2′-deoxyguanosine and Ten Monohydroxylated Polycyclic Aromatic Hydrocarbons by Liquid Chromatography/Tandem Mass Spectrometry Fan, Ruifang; Wang, Dongli; Ramage, Robert Chemical Research in Toxicology, Vol. 25, Issue 2 https://doi.org/10.1021/tx200517h	journal	January 2012
Ion mobility detector for gas chromatography with a direct photoionization source Baim, Michael A.; Eatherton, Randy L.; Hill, Herbert H. Analytical Chemistry, Vol. 55, Issue 11 https://doi.org/10.1021/ac00261a026	journal	September 1983
Charge Exchange Reaction in Dopant-Assisted Atmospheric Pressure Chemical Ionization and Atmospheric Pressure Photoionization Vaikkinen, Anu; Kauppila, Tiina J.; Kostiainen, Risto Journal of The American Society for Mass Spectrometry, Vol. 27, Issue 8 https://doi.org/10.1007/s13361-016-1399-8	journal	April 2016
Targeting the untargeted in molecular phenomics with structurally-selective ion mobility-mass spectrometry May, Jody Christopher; Gant-Branum, Randi Lee; McLean, John Allen Current Opinion in Biotechnology, Vol. 39 https://doi.org/10.1016/j.copbio.2016.04.013	journal	June 2016
Enhancing bottom-up and top-down proteomic measurements with ion mobility separations Baker, Erin Shammel; Burnum-Johnson, Kristin E.; Ibrahim, Yehia M. PROTEOMICS, Vol. 15, Issue 16 https://doi.org/10.1002/pmic.201500048	journal	July 2015
Lipid and Glycolipid Isomer Analyses Using Ultra-High Resolution Ion Mobility Spectrometry Separations Wojcik, Roza; Webb, Ian; Deng, Liulin International Journal of Molecular Sciences, Vol. 18, Issue 1 https://doi.org/10.3390/ijms18010183	journal	January 2017
Occurrence and Distribution of Two Hydroxylated Polychlorinated Biphenyl Congeners in Chicago Air Awad, Andrew M.; Martinez, Andres; Marek, Rachel F. Environmental Science & Technology Letters, Vol. 3, Issue 2 https://doi.org/10.1021/acs.estlett.5b00337	journal	December 2015
Human dietary exposure to polycyclic aromatic hydrocarbons: A review of the scientific literature Domingo, José L.; Nadal, Martí Food and Chemical Toxicology, Vol. 86 https://doi.org/10.1016/j.fct.2015.10.002	journal	December 2015
Exposure to Polychlorinated Biphenyls (PCBs) and Male Reproduction Meeker, John D.; Hauser, Russ Systems Biology in Reproductive Medicine, Vol. 56, Issue 2 https://doi.org/10.3109/19396360903443658	journal	January 2010
Human internal and external exposure to PBDEs – A review of levels and sources Frederiksen, Marie; Vorkamp, Katrin; Thomsen, Marianne International Journal of Hygiene and Environmental Health, Vol. 212, Issue 2 https://doi.org/10.1016/j.ijheh.2008.04.005	journal	March 2009
Fast screening of polycyclic aromatic hydrocarbons using trapped ion mobility spectrometry – mass spectrometry Castellanos, A.; Benigni, P.; Hernandez, D. R. Anal. Methods, Vol. 6, Issue 23 https://doi.org/10.1039/C4AY01655F	journal	January 2014
Characterizing the lipid and metabolite changes associated with placental function and pregnancy complications using ion mobility spectrometry-mass spectrometry and mass spectrometry imaging Burnum-Johnson, Kristin E.; Baker, Erin S.; Metz, Thomas O. Placenta, Vol. 60 https://doi.org/10.1016/j.placenta.2017.03.016	journal	December 2017
Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer May, Jody C.; Goodwin, Cody R.; Lareau, Nichole M. Analytical Chemistry, Vol. 86, Issue 4, p. 2107-2116 https://doi.org/10.1021/ac4038448	journal	February 2014
Developmental toxicity of polychlorinated biphenyls (PCBs): a systematic review of experimental data Ulbrich, Beate; Stahlmann, Ralf Archives of Toxicology, Vol. 78, Issue 5 https://doi.org/10.1007/s00204-003-0519-y	journal	April 2004

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Ion Mobility Spectrometry in Food Analysis: Principles, Current Applications and Future Trends Hernández-Mesa, Maykel; Ropartz, David; García-Campaña, Ana M. Molecules, Vol. 24, Issue 15 https://doi.org/10.3390/molecules24152706	journal	July 2019
Use of carbon quantum dots and fluorescein isothiocyanate in developing an improved competitive fluoroimmunoassay for detecting polybrominated diphenyl ether Li, Weili; Yao, Lu; Geng, Hongchao Journal of the Iranian Chemical Society, Vol. 16, Issue 8 https://doi.org/10.1007/s13738-019-01639-w	journal	February 2019
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Ion mobility spectrometry
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Polybrominated diphenyl ethers
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