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Untargeted Profiling of Environmental Chemicals and Their Transformation Metabolites by...
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Untargeted Profiling of Environmental Chemicals and Their Transformation Metabolites by Mass Spectrometry

A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Environmental Metabolomics".

Deadline for manuscript submissions: closed (31 December 2024) | Viewed by 2280

Special Issue Editor

Dr. Jin Y. Chen

E-Mail Website
Guest Editor
Christina Lee Brown Envirome Institute, University of Louisville, Louisville, KY 40202, USA
Interests: mass spectrometry; metabolomics, exposomics; urinary phase II metabolome; environmental health science

Special Issue Information

Dear Colleagues,

Environmental chemicals encompass volatile organic compounds (VOCs), persistent organic pollutants (POPs), pharmaceuticals, and other xenobiotics and chemical elements. Studies have reported strong links between exposure to pollutants and adverse health outcomes such as cancer, cardiovascular disease, and respiratory illness. However, the comprehensive characterization of these chemicals and their transformation metabolites/products in the environment, and in exposed individuals, is limited and challenging. With superior sensitivity, specificity, and capability to analyze small molecules, mass spectrometry (LC-MS and GC-MS) methods are widely used in metabolomics and exposomics research. Specifically, untargeted mass spectrometry workflows are influential in uncovering novel and unknown compounds in environmental samples and biological specimens, when authentic analytical standards are inadequately available.

This Special Issue aims to highlight innovative original research on topics including (but not limited to) studies on the untargeted mass spectrometric profiling of environmental chemicals and/or their metabolites in (i) environmental media (air, water, soil, wastewater, etc.), (ii) human biological samples (urine, blood, tissue, etc.), and (iii) in vitro or in vivo experiments. The presented results will contribute to enriching the knowledge on environmental metabolomics and facilitate exposure assessment and health risk prevention.

Dr. Jin Y. Chen
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metabolites is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • LC-MS
  • GC-MS
  • metabolomics
  • exposomics
  • pollutants and xenobiotics
  • transformation metabolites
  • environmental samples
  • biological specimen
  • in vitro/in vivo experiments

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Published Papers (2 papers)

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Research

16 pages, 2628 KiB  
Article
Possible Missing Sources of Atmospheric Glyoxal Part I: Phospholipid Oxidation from Marine Algae
by Renee T. Williams, Annika Caspers-Brown, Camille M. Sultana, Christopher Lee, Jessica L. Axson, Francesca Malfatti, Yanyan Zhou, Kathryn A. Moore, Natalie Stevens, Mitchell V. Santander, Farooq Azam, Kimberly A. Prather and Robert S. Pomeroy
Metabolites 2024, 14(11), 639; https://doi.org/10.3390/metabo14110639 - 19 Nov 2024
Viewed by 1030
Abstract
Background: Glyoxal has been implicated as a significant contributor to the formation of secondary organic aerosols, which play a key role in our ability to estimate the impact of aerosols on climate. Elevated concentrations of glyoxal over remote ocean waters suggests that there [...] Read more.
Background: Glyoxal has been implicated as a significant contributor to the formation of secondary organic aerosols, which play a key role in our ability to estimate the impact of aerosols on climate. Elevated concentrations of glyoxal over remote ocean waters suggests that there is an additional source, distinct from urban and forest environments, which has yet to be identified. Herein, we demonstrate that the ocean can serve as an appreciable source of glyoxal in the atmosphere due to microbiological activity. Methods and Results: Based on mass spectrometric analyses of nascent sea spray aerosols and the sea surface microlayer (SSML) of naturally occurring algal blooms, we provide evidence that during the algae death phase phospholipids become enriched in the SSML and undergo autoxidation thereby generating glyoxal as a degradation product. Conclusions: We propose that the death phase of an algal bloom could serve as an important and currently missing source of glyoxal in the atmosphere. Full article
(This article belongs to the Special Issue Untargeted Profiling of Environmental Chemicals and Their Transformation Metabolites by Mass Spectrometry)
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14 pages, 2302 KiB  
Article
Possible Missing Sources of Atmospheric Glyoxal Part II: Oxidation of Toluene Derived from the Primary Production of Marine Microorganisms
by Renee T. Williams, Annika Caspers-Brown, Jennifer Michaud, Natalie Stevens, Michael Meehan, Camille M. Sultana, Christopher Lee, Francesca Malfatti, Yanyan Zhou, Farooq Azam, Kimberly A. Prather, Pieter Dorrestein, Michael D. Burkart and Robert S. Pomeroy
Metabolites 2024, 14(11), 631; https://doi.org/10.3390/metabo14110631 - 16 Nov 2024
Viewed by 879
Abstract
Background: Glyoxal has been implicated as a significant contributor to the formation of secondary organic aerosols, which play a key role in our ability to estimate the impact of aerosols on climate. Elevated concentrations of glyoxal over open ocean waters suggest that there [...] Read more.
Background: Glyoxal has been implicated as a significant contributor to the formation of secondary organic aerosols, which play a key role in our ability to estimate the impact of aerosols on climate. Elevated concentrations of glyoxal over open ocean waters suggest that there exists an additional source, different from urban and forest environments, which has yet to be identified. Methods: Based on mass spectrometric analyses of nascent sea spray aerosols (SSAs) and gas-phase molecules generated during the course of a controlled algal bloom, the work herein suggests that marine microorganisms are capable of excreting toluene in response to environmental stimuli. Additional culture flask experiments demonstrated that pathogenic attack could also serve as a trigger for toluene formation. Using solid-phase microextraction methods, the comparison of samples collected up-channel and over the breaking wave suggests it was transferred across the air–water interface primarily through SSA formation. Results: The presence and then absence of phenylacetic acid in the SSA days prior to the appearance of toluene support previous reports that proposed toluene is produced as a metabolite of phenylalanine through the Shikimate pathway. As a result, once in the atmosphere, toluene is susceptible to oxidation and subsequent degradation into glyoxal. Conclusions: This work adds to a minimal collection of literature that addresses the primary production of aromatic hydrocarbons from marine microorganisms and provides a potential missing source of glyoxal that should be considered when accounting for its origins in remote ocean regions. Full article
(This article belongs to the Special Issue Untargeted Profiling of Environmental Chemicals and Their Transformation Metabolites by Mass Spectrometry)
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