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 · Fri Mar 02 00:00:00 EST 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)

Grant/Contract Number:: AC05-76RL01830; AC05-76RL0 1830

OSTI ID:: 1437019

Alternate ID(s):: OSTI ID: 1703100

Report Number(s):: PNNL-SA-130591; PII: S0003267018302824

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

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 37 works

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Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics Blaženović, Ivana; Kind, Tobias; Ji, Jian Metabolites, Vol. 8, Issue 2 https://doi.org/10.3390/metabo8020031	journal	May 2018
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Related Subjects

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