Utilizing ion mobility spectrometry and mass spectrometry for the analysis of polycyclic aromatic hydrocarbons, polychlorinated biphenyls, polybrominated diphenyl ethers and their metabolites
Abstract
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.
- Authors:
-
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Biological Sciences Division
- Publication Date:
- Research Org.:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Biological and Environmental Research (BER)
- OSTI Identifier:
- 1437019
- Alternate Identifier(s):
- OSTI ID: 1703100
- Report Number(s):
- PNNL-SA-130591
Journal ID: ISSN 0003-2670; PII: S0003267018302824
- Grant/Contract Number:
- AC05-76RL01830; AC05-76RL0 1830
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Analytica Chimica Acta
- Additional Journal Information:
- Journal Volume: 1037; Journal ID: ISSN 0003-2670
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 59 BASIC BIOLOGICAL SCIENCES; Ion mobility spectrometry; Collision cross section; Xenobiotics; Polycyclic aromatic hydrocarbons; Polychlorinated biphenyls; Polybrominated diphenyl ethers; Electrospray ionization; Atmospheric pressure chemical ionization; Atmospheric pressure photoionization
Citation Formats
Zheng, Xueyun, Dupuis, Kevin T., Aly, Noor A., Zhou, Yuxuan, Smith, Francesca B., Tang, Keqi, Smith, Richard D., and Baker, Erin S. Utilizing ion mobility spectrometry and mass spectrometry for the analysis of polycyclic aromatic hydrocarbons, polychlorinated biphenyls, polybrominated diphenyl ethers and their metabolites. United States: N. p., 2018.
Web. doi:10.1016/j.aca.2018.02.054.
Zheng, Xueyun, Dupuis, Kevin T., Aly, Noor A., Zhou, Yuxuan, Smith, Francesca B., Tang, Keqi, Smith, Richard D., & Baker, Erin S. Utilizing ion mobility spectrometry and mass spectrometry for the analysis of polycyclic aromatic hydrocarbons, polychlorinated biphenyls, polybrominated diphenyl ethers and their metabolites. United States. https://doi.org/10.1016/j.aca.2018.02.054
Zheng, Xueyun, Dupuis, Kevin T., Aly, Noor A., Zhou, Yuxuan, Smith, Francesca B., Tang, Keqi, Smith, Richard D., and Baker, Erin S. Fri .
"Utilizing ion mobility spectrometry and mass spectrometry for the analysis of polycyclic aromatic hydrocarbons, polychlorinated biphenyls, polybrominated diphenyl ethers and their metabolites". United States. https://doi.org/10.1016/j.aca.2018.02.054. https://www.osti.gov/servlets/purl/1437019.
@article{osti_1437019,
title = {Utilizing ion mobility spectrometry and mass spectrometry for the analysis of polycyclic aromatic hydrocarbons, polychlorinated biphenyls, polybrominated diphenyl ethers and their metabolites},
author = {Zheng, Xueyun and Dupuis, Kevin T. and Aly, Noor A. and Zhou, Yuxuan and Smith, Francesca B. and Tang, Keqi and Smith, Richard D. and Baker, Erin S.},
abstractNote = {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.},
doi = {10.1016/j.aca.2018.02.054},
journal = {Analytica Chimica Acta},
number = ,
volume = 1037,
place = {United States},
year = {Fri Mar 02 00:00:00 EST 2018},
month = {Fri Mar 02 00:00:00 EST 2018}
}
Web of Science
Figures / Tables:
Works referenced in this record:
A review on polycyclic aromatic hydrocarbons: Source, environmental impact, effect on human health and remediation
journal, March 2016
- Abdel-Shafy, Hussein I.; Mansour, Mona S. M.
- Egyptian Journal of Petroleum, Vol. 25, Issue 1
A review of airborne polycyclic aromatic hydrocarbons (PAHs) and their human health effects
journal, October 2013
- Kim, Ki-Hyun; Jahan, Shamin Ara; Kabir, Ehsanul
- Environment International, Vol. 60
Human dietary exposure to polycyclic aromatic hydrocarbons: A review of the scientific literature
journal, December 2015
- Domingo, José L.; Nadal, Martí
- Food and Chemical Toxicology, Vol. 86
Cumulative exposure assessment for trace-level polycyclic aromatic hydrocarbons (PAHs) using human blood and plasma analysis
journal, July 2010
- Pleil, J. D.; Stiegel, M. A.; Sobus, J. R.
- Journal of Chromatography B, Vol. 878, Issue 21
Polychlorinated Biphenyls (PCBs): Routes of Exposure and Effects on Human Health
journal, January 2006
- Carpenter, David O.
- Reviews on Environmental Health, Vol. 21, Issue 1
Developmental toxicity of polychlorinated biphenyls (PCBs): a systematic review of experimental data
journal, April 2004
- Ulbrich, Beate; Stahlmann, Ralf
- Archives of Toxicology, Vol. 78, Issue 5
Towards a global historical emission inventory for selected PCB congeners — A mass balance approach
journal, May 2007
- Breivik, Knut; Sweetman, Andy; Pacyna, Jozef M.
- Science of The Total Environment, Vol. 377, Issue 2-3
Exposure to Polychlorinated Biphenyls (PCBs) and Male Reproduction
journal, January 2010
- Meeker, John D.; Hauser, Russ
- Systems Biology in Reproductive Medicine, Vol. 56, Issue 2
Health effects and exposure to polychlorinated biphenyls (PCBs) and metals in a contaminated community
journal, September 2012
- Helmfrid, Ingela; Berglund, Marika; Löfman, Owe
- Environment International, Vol. 44
Dietary exposure to polychlorinated biphenyls and risk of breast, endometrial and ovarian cancer in a prospective cohort
journal, September 2016
- Donat-Vargas, Carolina; Åkesson, Agneta; Berglund, Marika
- British Journal of Cancer, Vol. 115, Issue 9
PCBs and OH-PCBs in Serum from Children and Mothers in Urban and Rural U.S. Communities
journal, March 2013
- Marek, Rachel F.; Thorne, Peter S.; Wang, Kai
- Environmental Science & Technology, Vol. 47, Issue 7
Human internal and external exposure to PBDEs – A review of levels and sources
journal, March 2009
- Frederiksen, Marie; Vorkamp, Katrin; Thomsen, Marianne
- International Journal of Hygiene and Environmental Health, Vol. 212, Issue 2
Polybrominated Diphenyl Ethers (PBDEs): New Pollutants-Old Diseases
journal, October 2003
- Siddiqi, M. A.; Laessig, R. H.; Reed, K. D.
- Clinical Medicine & Research, Vol. 1, Issue 4
Prenatal Exposure to PBDEs and Neurodevelopment
journal, May 2010
- Herbstman, Julie B.; Sjödin, Andreas; Kurzon, Matthew
- Environmental Health Perspectives, Vol. 118, Issue 5
Occurrence and Distribution of Two Hydroxylated Polychlorinated Biphenyl Congeners in Chicago Air
journal, December 2015
- Awad, Andrew M.; Martinez, Andres; Marek, Rachel F.
- Environmental Science & Technology Letters, Vol. 3, Issue 2
Fast and Simultaneous Determination of Urinary 8-Hydroxy-2′-deoxyguanosine and Ten Monohydroxylated Polycyclic Aromatic Hydrocarbons by Liquid Chromatography/Tandem Mass Spectrometry
journal, January 2012
- Fan, Ruifang; Wang, Dongli; Ramage, Robert
- Chemical Research in Toxicology, Vol. 25, Issue 2
Fast analysis of 29 polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs with ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry
journal, August 2015
- Lung, Shih-Chun Candice; Liu, Chun-Hu
- Scientific Reports, Vol. 5, Issue 1
Enhancing bottom-up and top-down proteomic measurements with ion mobility separations
journal, July 2015
- Baker, Erin Shammel; Burnum-Johnson, Kristin E.; Ibrahim, Yehia M.
- PROTEOMICS, Vol. 15, Issue 16
Uncovering biologically significant lipid isomers with liquid chromatography, ion mobility spectrometry and mass spectrometry
journal, January 2016
- Kyle, Jennifer E.; Zhang, Xing; Weitz, Karl K.
- The Analyst, Vol. 141, Issue 5
Characterizing the lipid and metabolite changes associated with placental function and pregnancy complications using ion mobility spectrometry-mass spectrometry and mass spectrometry imaging
journal, December 2017
- Burnum-Johnson, Kristin E.; Baker, Erin S.; Metz, Thomas O.
- Placenta, Vol. 60
Targeting the untargeted in molecular phenomics with structurally-selective ion mobility-mass spectrometry
journal, June 2016
- May, Jody Christopher; Gant-Branum, Randi Lee; McLean, John Allen
- Current Opinion in Biotechnology, Vol. 39
Ion mobility detector for gas chromatography with a direct photoionization source
journal, September 1983
- Baim, Michael A.; Eatherton, Randy L.; Hill, Herbert H.
- Analytical Chemistry, Vol. 55, Issue 11
Fast screening of polycyclic aromatic hydrocarbons using trapped ion mobility spectrometry – mass spectrometry
journal, January 2014
- Castellanos, A.; Benigni, P.; Hernandez, D. R.
- Anal. Methods, Vol. 6, Issue 23
Towards unsupervised polyaromatic hydrocarbons structural assignment from SA-TIMS –FTMS data
journal, June 2015
- Benigni, Paolo; Marin, Rebecca; Fernandez-Lima, Francisco
- International Journal for Ion Mobility Spectrometry, Vol. 18, Issue 3-4
Isomer separation of polybrominated diphenyl ether metabolites using nanoESI-TIMS-MS
journal, April 2016
- Adams, Kendra J.; Montero, Dennise; Aga, Diana
- International Journal for Ion Mobility Spectrometry, Vol. 19, Issue 2-3
Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer
journal, February 2014
- May, Jody C.; Goodwin, Cody R.; Lareau, Nichole M.
- Analytical Chemistry, Vol. 86, Issue 4, p. 2107-2116
Development of a new ion mobility time-of-flight mass spectrometer
journal, February 2015
- Ibrahim, Yehia M.; Baker, Erin S.; Danielson, William F.
- International Journal of Mass Spectrometry, Vol. 377
An Interlaboratory Evaluation of Drift Tube Ion Mobility–Mass Spectrometry Collision Cross Section Measurements
journal, August 2017
- Stow, Sarah M.; Causon, Tim J.; Zheng, Xueyun
- Analytical Chemistry, Vol. 89, Issue 17
A structural examination and collision cross section database for over 500 metabolites and xenobiotics using drift tube ion mobility spectrometry
journal, January 2017
- Zheng, Xueyun; Aly, Noor A.; Zhou, Yuxuan
- Chem. Sci., Vol. 8, Issue 11
Atmospheric Pressure Photoionization. 1. General Properties for LC/MS
journal, May 2004
- Hanold, Karl A.; Fischer, Stephen M.; Cormia, Patricia H.
- Analytical Chemistry, Vol. 76, Issue 10
Negative ion-atmospheric pressure photoionization-mass spectrometry
journal, February 2004
- Kauppila, Tiina J.; Kotiaho, Tapio; Kostiainen, Risto
- Journal of the American Society for Mass Spectrometry, Vol. 15, Issue 2
Detection and Monitoring of PAH and Oxy-PAHs by High Resolution Mass Spectrometry: Comparison of ESI, APCI and APPI Source Detection
journal, January 2012
- Ghislain, Thierry; Faure, Pierre; Michels, Raymond
- Journal of The American Society for Mass Spectrometry, Vol. 23, Issue 3
Charge Exchange Reaction in Dopant-Assisted Atmospheric Pressure Chemical Ionization and Atmospheric Pressure Photoionization
journal, April 2016
- Vaikkinen, Anu; Kauppila, Tiina J.; Kostiainen, Risto
- Journal of The American Society for Mass Spectrometry, Vol. 27, Issue 8
Distinguishing d - and l -aspartic and isoaspartic acids in amyloid β peptides with ultrahigh resolution ion mobility spectrometry
journal, January 2017
- Zheng, Xueyun; Deng, Liulin; Baker, Erin S.
- Chemical Communications, Vol. 53, Issue 56
Structural Elucidation of cis / trans Dicaffeoylquinic Acid Photoisomerization Using Ion Mobility Spectrometry-Mass Spectrometry
journal, March 2017
- Zheng, Xueyun; Renslow, Ryan S.; Makola, Mpho M.
- The Journal of Physical Chemistry Letters, Vol. 8, Issue 7
Lipid and Glycolipid Isomer Analyses Using Ultra-High Resolution Ion Mobility Spectrometry Separations
journal, January 2017
- Wojcik, Roza; Webb, Ian; Deng, Liulin
- International Journal of Molecular Sciences, Vol. 18, Issue 1
Works referencing / citing this record:
Ion Mobility Spectrometry in Food Analysis: Principles, Current Applications and Future Trends
journal, July 2019
- Hernández-Mesa, Maykel; Ropartz, David; García-Campaña, Ana M.
- Molecules, Vol. 24, Issue 15
Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics
journal, May 2018
- Blaženović, Ivana; Kind, Tobias; Ji, Jian
- Metabolites, Vol. 8, Issue 2
Use of carbon quantum dots and fluorescein isothiocyanate in developing an improved competitive fluoroimmunoassay for detecting polybrominated diphenyl ether
journal, February 2019
- Li, Weili; Yao, Lu; Geng, Hongchao
- Journal of the Iranian Chemical Society, Vol. 16, Issue 8
Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics
journal, May 2018
- Blaženović, Ivana; Kind, Tobias; Ji, Jian
- Metabolites, Vol. 8, Issue 2
Figures / Tables found in this record: