ACS Publications. Most Trusted. Most Cited. Most Read
Network Analysis for Prioritizing Biodegradation Metabolites of Polycyclic Aromatic Hydrocarbons

OR SEARCH CITATIONS

My Activity
Publications

Figure 1Loading Img
Download Hi-Res ImageDownload to MS-PowerPointCite This:Environ. Sci. Technol. 2020, 54, 17, 10735-10744
    Ecotoxicology and Public Health

    Network Analysis for Prioritizing Biodegradation Metabolites of Polycyclic Aromatic Hydrocarbons
    Click to copy article linkArticle link copied!

    • Trevor W. Sleight
      Trevor W. Sleight
      Department of Civil and Environmental Engineering, University of Pittsburgh, Benedum Hall, 3700 O’Hara Street, Pittsburgh, Pennsylvania 15261, United States
      More by Trevor W. Sleight
      Orcidhttp://orcid.org/0000-0002-6076-1085
    • Vikas Khanna
      Vikas Khanna
      Department of Civil and Environmental Engineering, University of Pittsburgh, Benedum Hall, 3700 O’Hara Street, Pittsburgh, Pennsylvania 15261, United States
      Secondary Appointment, Department of Chemical and Petroleum Engineering, University of Pittsburgh, Benedum Hall, 3700 O’Hara Street, Pittsburgh, Pennsylvania 15261, United States
      More by Vikas Khanna
      Orcidhttp://orcid.org/0000-0002-7211-5195
    • Leanne M. Gilbertson*
      Leanne M. Gilbertson
      Department of Civil and Environmental Engineering, University of Pittsburgh, Benedum Hall, 3700 O’Hara Street, Pittsburgh, Pennsylvania 15261, United States
      Secondary Appointment, Department of Chemical and Petroleum Engineering, University of Pittsburgh, Benedum Hall, 3700 O’Hara Street, Pittsburgh, Pennsylvania 15261, United States
      *Email: [email protected]
      More by Leanne M. Gilbertson
      Orcidhttp://orcid.org/0000-0003-3396-4204
    • Carla A. Ng*
      Carla A. Ng
      Department of Civil and Environmental Engineering, University of Pittsburgh, Benedum Hall, 3700 O’Hara Street, Pittsburgh, Pennsylvania 15261, United States
      Secondary Appointment, Department of Environmental and Occupational Health, Graduate School of Public Health, University of Pittsburgh, 130 De Soto Street, Pittsburgh, Pennsylvania 15261, United States
      *Email: [email protected]
      More by Carla A. Ng
      Orcidhttp://orcid.org/0000-0001-5521-7862
    Other Access OptionsSupporting Information (2)

    Environmental Science & Technology

    Cite this: Environ. Sci. Technol. 2020, 54, 17, 10735–10744
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.est.0c02217
    Published July 21, 2020
    Copyright © 2020 American Chemical Society
    Request reuse permissions

    Abstract

    Click to copy section linkSection link copied!
    Abstract Image

    Polycyclic aromatic hydrocarbons (PAHs) are a diverse group of environmental contaminants released during the combustion of organic materials and the production and utilization of fossil fuels. Once released, PAHs deposit in soil and water bodies where they are subjected to environmental transport and transformations. As they degrade, intermediate transformation products may play an important role in their environmental impact. However, studying the effects of these degradation products has proven challenging because of the complexity, transience, and low concentration of many intermediates. Herein, a novel integration of a pathway prediction system and network theory was developed and applied to a set of four PAHs to demonstrate a possible solution to this challenge. Network analysis techniques were employed to refine the thousands of potential outputs and elucidate compounds of interest. Using these tools, we determined correlations between PAH degradation network data and intermediate metabolite structures, gaining information about the chemical characteristics of compounds based on their placement within the degradation network. Upon applying our developed filtering algorithm, we are able to predict up to 48% of the most common transformation products identified in a comprehensive empirical literature review. Additionally, our integrated approach uncovers potential metabolites which connect those found by past empirical studies but are currently undetected, thereby filling in the gaps of information in PAH degradation pathways.

    Copyright © 2020 American Chemical Society

    Subjects

    what are subjects

    Read this article

    To access this article, please review the available access options below.

    Get instant access

    Purchase Access

    Read this article for 48 hours. Check out below using your ACS ID or as a guest.

    Recommended

    Access through Your Institution

    You may have access to this article through your institution.

    Your institution does not have access to this content. Add or change your institution or let them know you’d like them to include access.

    Supporting Information

    Click to copy section linkSection link copied!

    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.est.0c02217.

    • SMILES codes of the Pathway Matches (XLSX)

    • Additional details and similar plots for PAHs not shown in the primary text, full empirical literature review for each PAH including all references, images of structures, and SMILES codes, and summary of the python scripts and the process for data analysis and the sensitivity analysis (PDF)

    Terms & Conditions

    Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html.

    Cited By

    Click to copy section linkSection link copied!

    This article is cited by 14 publications.

    1. Trevor W. Sleight, Caitlin N. Sexton, Giannis Mpourmpakis, Leanne M. Gilbertson, Carla A. Ng. A Classification Model to Identify Direct-Acting Mutagenic Polycyclic Aromatic Hydrocarbon Transformation Products. Chemical Research in Toxicology 2021, 34 (11) , 2273-2286. https://doi.org/10.1021/acs.chemrestox.1c00187
    2. Joel B. Njewa, Grace Mweta, Jimmy Sumani, Timothy Tiwonge Biswick. The impact of dumping sites on air, soil and water pollution in selected Southern African countries: challenges and recommendations. Water Emerging Contaminants & Nanoplastics 2025, 4 (1) https://doi.org/10.20517/wecn.2024.71
    3. Mengshuo Li, Jingjing Chen, Yaxian Zhu, Yong Zhang. In Situ Study on Biodegradation Differences Between Dissolved Phenanthrene and Methylphenanthrene Using First Derivative Synchronous Fluorescence Spectrometry With Double Scans. Luminescence 2024, 39 (11) https://doi.org/10.1002/bio.70037
    4. Jia Wei, Jiayou Luo, Tangjian Peng, Pengji Zhou, Jiajia Zhang, Fei Yang. Comparative genomic analysis and functional investigations for MCs catabolism mechanisms and evolutionary dynamics of MCs-degrading bacteria in ecology. Environmental Research 2024, 248 , 118336. https://doi.org/10.1016/j.envres.2024.118336
    5. Ashish Khandelwal, Lata Nain, Shashi Bala Singh, Eldho Varghese, Anamika Sharma, Suman Gupta, Neera Singh. Bacteria and fungi mediated degradation of poly aromatic hydrocarbons and effect of surfactant Tween-80. International Journal of Environmental Analytical Chemistry 2024, 104 (1) , 27-42. https://doi.org/10.1080/03067319.2021.2015584
    6. Yi Zhu, Man Hu, Liqin Yin, Wei Qin, Xiaoyi Hu, Shengmei Lyu, Junfeng Dou. Multi-omics analyses reveal metabolic pathways of benzo[a]pyrene biodegradation under sole or mixed carbon sources. International Biodeterioration & Biodegradation 2023, 184 , 105665. https://doi.org/10.1016/j.ibiod.2023.105665
    7. Shiva Hosseini, Davood Azadi, Abdorrahim Absalan. Bioremediation of phenol, sulfate sodium, and polycyclic aromatic hydrocarbons by Rhodococcus sp. first time isolated and molecular characterized from aquatic and terrestrial ecosystems. Water and Environment Journal 2023, 37 (3) , 594-603. https://doi.org/10.1111/wej.12862
    8. Mohamed Ateia, Gabriel Sigmund, Michael J. Bentel, John W. Washington, Adelene Lai, Nathaniel H. Merrill, Zhanyun Wang. Integrated data-driven cross-disciplinary framework to prevent chemical water pollution. One Earth 2023, 6 (8) , 952-963. https://doi.org/10.1016/j.oneear.2023.07.001
    9. Qiaoyu Li, Jianqiao Wang, Ziyu Wang, Wenquan Zhang, Hongjie Zhan, Tangfu Xiao, Xiaolong Yu, Yan Zheng. Surfactants double the biodegradation rate of persistent polycyclic aromatic hydrocarbons (PAHs) by a white-rot fungus Phanerochaete sordida. Environmental Earth Sciences 2023, 82 (12) https://doi.org/10.1007/s12665-023-10970-8
    10. Ashish Khandelwal, Ramya Sugavanam, Balasubramanian Ramakrishnan, Anirban Dutta, Eldho Varghese, Tirthankar Banerjee, Lata Nain, Shashi Bala Singh, Neera Singh. Bio-polysaccharide composites mediated degradation of polyaromatic hydrocarbons in a sandy soil using free and immobilized consortium of Kocuria rosea and Aspergillus sydowii. Environmental Science and Pollution Research 2022, 29 (53) , 80005-80020. https://doi.org/10.1007/s11356-022-19252-5
    11. Xinya Chen, Huifang Bi, Rengyu Yue, Zhikun Chen, Chunjiang An. Effects of oil characteristics on the performance of shoreline response operations: A review. Frontiers in Environmental Science 2022, 10 https://doi.org/10.3389/fenvs.2022.1033909
    12. Shanquan Wang, Yixuan Wang, Xiaosong He, Qihong Lu. Degradation or humification: rethinking strategies to attenuate organic pollutants. Trends in Biotechnology 2022, 40 (9) , 1061-1072. https://doi.org/10.1016/j.tibtech.2022.02.007
    13. Sushma Rani Tirkey, Shristi Ram, Madhusree Mitra, Sandhya Mishra. Performance analysis of Pseudomonas sp. strain SA3 in naphthalene degradation using phytotoxicity and microcosm studies. Biodegradation 2022, 33 (2) , 169-180. https://doi.org/10.1007/s10532-022-09972-3
    14. Qianchun Zhang, Xiaolan Zhang, Bingnian Yang, Shan Liu, Ming Wen, Linchun Bao, Li Jiang. Development of a highly efficient in‐tube solid‐phase microextraction system coupled with UHPLC‐MS/MS for analyzing trace hydroxyl polycyclic aromatic hydrocarbons in biological samples. Journal of Separation Science 2022, 45 (4) , 919-928. https://doi.org/10.1002/jssc.202100751
    Download PDF
    Go to Environmental Science & Technology
    Get e-Alerts
    Get e-Alerts

    Environmental Science & Technology

    Cite this: Environ. Sci. Technol. 2020, 54, 17, 10735–10744
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.est.0c02217
    Published July 21, 2020
    Copyright © 2020 American Chemical Society
    Request reuse permissions

    Article Views

    1760

    Altmetric

    -

    Citations

    14
    Learn about these metrics

    Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.

    Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.

    The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated.