Title

Method Development for Selective and Nontargeted Identification of Nitro Compounds in Diesel Particulate Matter

ORCID Identifiers

0000-0002-1476-0962

Document Type

Article

Source of Publication

Energy and Fuels

Publication Date

11-16-2017

Abstract

© 2017 American Chemical Society. Nitro-aromatic compounds are associated with a host of adverse human health and ecological outcomes; however, current methods of detection are limited by the lack of accuracy for the nontargeted identification of nitro compounds. This paper describes the development of a novel, accurate, and selective method of identifying nitro compounds, especially nitro polycyclic aromatic hydrocarbons (PAHs), in complex soot mixtures. For the first time, high-performance liquid chromatography was used in combination with Orbitrap mass spectrometry for the nontargeted identification of nitro compounds. This method was validated on a mixture of 84 standard molecules containing 23 nitro compounds and then applied to a complex soot sample, the National Institute of Standards and Technology standard reference material (SRM) 1650a, to successfully identify 105 masses, 62% of which were monosubstituted nitro compounds. All nitro compounds reported in the latest certificate of analysis (COA) for SRM 1650b were successfully identified except for 1,3-dinitropyrene and 1,6-dinitropyrene. Compounds not reported in the COA of the SRM 1650b, including but not limited to 1,8-dinitropyrene, alkylated nitro-molecules of all masses in the COA of SRM 1650b, nitro-phenylnaphthalene isomers, dinitronaphthalene, nitro-phenols, nitro-keto-PAHs, nitro-carboxylic-PAHs, and other nitro partial polar compounds, were also tentatively identified. Future work will consider a larger set of classes, including isomers. This will help identify the chemical composition of mixtures in order to take proactive approaches to prevent health and environmental hazards.

ISSN

0887-0624

Publisher

American Chemical Society

Volume

31

Issue

11

First Page

11615

Last Page

11626

Disciplines

Life Sciences

Keywords

Aromatic compounds; Aromatic hydrocarbons; Chemical hazards; Chromatography; Health hazards; High performance liquid chromatography; Isomers; Liquid chromatography; Mass spectrometry; Mixtures; Molecules; Soot; Certificate of analysis; Chemical compositions; Diesel particulate matters; Environmental hazards; National Institute of Standards and Technology; Nitro aromatic compounds; Nitropolycyclic aromatic hydrocarbons; Orbitrap mass spectrometries; Polycyclic aromatic hydrocarbons

Scopus ID

85034568605

Indexed in Scopus

yes

Open Access

no

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