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Suspect screening of OH-PAHs and non-target screening of other organic compounds in wood smoke particles using HR-Orbitrap-MS
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
Number of Authors: 3
2016 (English)In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 163, 313-321 p.Article in journal (Refereed) Published
Abstract [en]

Wood combustion has been shown to contribute significantly to emissions of polycyclic aromatic hydrocarbons and hydroxylated polycyclic aromatic hydrocarbons, compounds with toxic and carcinogenic properties. However, only a small number of hydroxylated polycyclic aromatic hydrocarbons have been determined in particles from wood combustion, usually compounds with available reference standards. In this present study, suspect and non-target screening strategies were applied to characterize the wood smoke particles from four different wood types and two combustion conditions with respect to hydroxylated polycyclic aromatic hydrocarbons and other organic compounds. In the suspect screening, 32 peaks corresponding to 12 monohydroxylated masses were tentatively identified by elemental composition assignments and matching of isotopic pattern and fragments. More than one structure was suggested for most of the measured masses. Statistical analysis was performed on the non-target screening data in order to single out significant peaks having intensities that depend on the wood type and/or combustion condition. Significant peaks were found in both negative and positive ionization modes, with unique peaks for each wood type and combustion condition, as well as a combination of both factors. Furthermore, structural elucidation of some peaks was done by comparing the spectra in the samples with spectra found in the spectral databases. Six compounds were tentatively identified in positive ionization mode, and 19 in negative ionization mode. The results in this present study demonstrate that there are significant overall differences in the chemistry of wood smoke particles that depends on both the wood type and the combustion condition used.

Place, publisher, year, edition, pages
2016. Vol. 163, 313-321 p.
Keyword [en]
OH-PAHs, Wood smoke particles, Suspect screening, Non-target screening, Orbitrap, TracMass 2
National Category
Earth and Related Environmental Sciences Chemical Sciences
Research subject
Analytical Chemistry
Identifiers
URN: urn:nbn:se:su:diva-135213DOI: 10.1016/j.chemosphere.2016.08.039ISI: 000384776800036PubMedID: 27544654OAI: oai:DiVA.org:su-135213DiVA: diva2:1046901
Available from: 2016-11-15 Created: 2016-11-01 Last updated: 2017-01-16Bibliographically approved
In thesis
1. From source to the environment: Strategies for identification and determination of hydroxylated polycyclic aromatic hydrocarbons in complex particulate matrices
Open this publication in new window or tab >>From source to the environment: Strategies for identification and determination of hydroxylated polycyclic aromatic hydrocarbons in complex particulate matrices
2017 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Adverse health effects have been linked to exposure to particulate matter, and wood combustion is considered as an important source of harmful particulate matter in the urban air and environment. Hydroxylated polycyclic aromatic hydrocarbons are a group of compounds with toxic, endocrine disrupting and carcinogenic properties. Sources of hydroxylated polycyclic aromatic hydrocarbons are different incomplete combustion processes, such as coal and wood combustion. They can also be formed by microbiological and/or photochemical degradation of polycyclic aromatic hydrocarbons in the environment.

This thesis describes analytical strategies and methods that have been developed and used for screening, tentative identification and determination of hydroxylated polycyclic aromatic hydrocarbons in wood combustion and urban air particles. Conventional targeted analytical methods have been developed for compounds with available reference standards, while suspect and non-target screening strategies have been used for the identification of suspects and unknown compounds lacking reference standards. Each step of the developed analytical methods is described and discussed: the choice of the analytical strategy, sampling of the matrices, extraction, clean-up, instrumental analysis, data processing and validation of the methods.

The influence of wood type (birch, spruce, pine and aspen) and burning conditions (nominal and high burn rate) on the hydroxylated polycyclic aromatic hydrocarbon emissions has been examined, showing that emissions from nominal burn rate combustion correspond on average to 14 % of the emissions from high burn rate combustion. It has been shown that spruce and pine have the highest emissions for nominal burn rate and high burn rate combustion, respectively.

The composition of wood combustion particles has been examined and 32 suspect hydroxylated polycyclic aromatic hydrocarbons have been tentatively identified together with 20 other oxygen-containing small molecular weight compounds. Furthermore, the presence of hydroxylated polycyclic aromatic hydrocarbons in airborne particles from an urban background and a car tunnel has been investigated, and nine target and 11 suspect hydroxylated polycyclic aromatic hydrocarbons have been determined and tentatively identified, respectively.

In summary, this thesis has shown that wood combustion is an important emission source of hydroxylated aromatic hydrocarbons and that the chemical composition of the emitted particles strongly depends on both burning conditions and wood type. Furthermore, the findings suggest that there might be other sources of these compounds in the urban environment than wood burning, such as the traffic. Thus, further investigations are required to fully understand the formation, sources and presence of hydroxylated polycyclic aromatic hydrocarbons in the atmosphere. The suitability of different analytical strategies and methods for identification and determination of hydroxylated polycyclic aromatic hydrocarbons is also discussed.

Place, publisher, year, edition, pages
Stockholm: Department of Environmental Science and Analytical Chemistry, Stockholm University, 2017. 80 p.
Keyword
OH-PAHs, hydroxy-PAHs, particulate matter, PM, airborne particles, combustion particles, wood combustion, suspect screening, non-target screening, high resolution mass spectrometry, HRMS, atmospheric pressure photoionization, APPI
National Category
Analytical Chemistry
Research subject
Analytical Chemistry
Identifiers
urn:nbn:se:su:diva-137214 (URN)978-91-7649-646-6 (ISBN)978-91-7649-647-3 (ISBN)
Public defence
2017-02-24, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 16 B, Stockholm, 10:00 (English)
Opponent
Supervisors
Note

At the time of the doctoral defense, the following paper was unpublished and had a status as follows: Paper 4: Manuscript.

Available from: 2017-02-01 Created: 2016-12-30 Last updated: 2017-01-25Bibliographically approved

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Avagyan, RozannaÅberg, MagnusWesterholm, Roger
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