Persistence, bioaccumulation and toxicity-assessment of petroleum UVCBs: A case study on alkylated three-ring PAHs

Wassenaar, Pim N.H.; Verbruggen, Eric

doi:10.1016/j.chemosphere.2021.130113

Cited by 27 publications

(16 citation statements)

References 36 publications

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“…A fourth, less common approach consists of in silico PBT screening, as recently performed for 884 constituents in the same hydrocarbon block of alkylated three-ring PAHs via relative trend analysis of experimental and modeled data. 110 The half-lives of petroleum products modeled by BioHCWin were validated by newly generated empirical data, suggesting that preliminary persistence screening of petroleum UVCBs is feasible using models. 111 Although in silico PBT screening may circumvent experimental difficulties associated with dealing with complex UVCBs, it ultimately requires experimental validation, is extremely data-intensive, and thus is only viable for wellstudied UVCBs whose constituents are well-characterized and chemically similar.…”

mentioning

confidence: 85%

The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs)

Lai

Clark

Escher

et al. 2022

Environ. Sci. Technol.

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Substances of unknown or variable composition, complex reaction products, or biological materials (UVCBs) are over 70 000 "complex" chemical mixtures produced and used at significant levels worldwide. Due to their unknown or variable composition, applying chemical assessments originally developed for individual compounds to UVCBs is challenging, which impedes sound management of these substances. Across the analytical sciences, toxicology, cheminformatics, and regulatory practice, new approaches addressing specific aspects of UVCB assessment are being developed, albeit in a fragmented manner. This review attempts to convey the "big picture" of the state of the art in dealing with UVCBs by holistically examining UVCB characterization and chemical identity representation, as well as hazard, exposure, and risk assessment. Overall, information gaps on chemical identities underpin the fundamental challenges concerning UVCBs, and better reporting and substance characterization efforts are needed to support subsequent chemical assessments. To this end, an information level scheme for improved UVCB data collection and management within databases is proposed. The development of UVCB testing shows early progress, in line with three main methods: whole substance, known constituents, and fraction profiling. For toxicity assessment, one option is a whole-mixture testing approach. If the identities of (many) constituents are known, grouping, read across, and mixture toxicity modeling represent complementary approaches to overcome data gaps in toxicity assessment. This review highlights continued needs for concerted efforts from all stakeholders to ensure proper assessment and sound management of UVCBs.

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confidence: 85%

The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs)

Lai

Clark

Escher

et al. 2022

Environ. Sci. Technol.

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“…24 This temperature dependent headspace partitioning is a potential confounding factor when quantifying the temperature effect on the biodegradation kinetics of test chemicals with a signicant partitioning into headspace. 24 In the temperature dependency plots, data were thus omitted for chemicals (8) with a K aw > 1 L/L (at 20 C, Table ESI2 †), which partition > 25% into the headspace of a 20 mL vial lled with 15 mL water. This is a conservative approach since 20 C was the highest test temperature, and the air-water partitioning coefficient decreases with decreasing temperature.…”

Section: Data Treatmentmentioning

confidence: 99%

“…A very recent example of this is the persistency assessment of three ringed alkylated PAHs, where all 18 different biodegradation data sets identied were rejected and this hydrocarbon group was then assessed to be persistent without using the experimental degradation data. 8 There is thus an urgent need for the continuous improvement of test methods especially for difficult-to-test substances, while at the same time increasing the mechanistic understanding of how various test factors affect biodegradation kinetics and the microbial composition in the test. [9][10][11][12] The OECD 309 test guideline 13 provides ample space for adjustments to specic chemicals or a specic regulatory purpose.…”

Section: Introductionmentioning

confidence: 99%

Linking biodegradation kinetics, microbial composition and test temperature – Testing 40 petroleum hydrocarbons using inocula collected in winter and summer

Sjøholm

Dechesne

Lyon

et al. 2022

Environ. Sci.: Processes Impacts

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“…Before the publication of the OECD WoE guiding principles (OECD, 2019 ), many of the key elements outlined by the OECD were already applied in chemical safety assessments (Brandt et al, 2016 ; Bridges & Solomon, 2016 ; Giesy et al, 2014 ; Hughes et al, 2020 ; Wassenaar & Verbruggen, 2021 ). Giesy et al ( 2014 ) used a WoE approach to assess the organophosphorus pesticide chlorpyrifos.…”

Section: Woe Framework For Persistence Assessmentmentioning

confidence: 99%

“…In Wassenaar and Verbruggen ( 2021 ), a WoE approach, as indicated by Chapter R.11 of the ECHA Guidance on Information Requirements and Chemical Safety Assessment, was used to evaluate the persistence, bioaccumulation, and toxicity of alkylated 3‐ring PAHs (polyaromatic hydrocarbons). Eighteen studies with persistence data were screened for relevance to determine environmental degradation half‐life values.…”

Section: Woe Framework For Persistence Assessmentmentioning

confidence: 99%

Moving persistence assessments into the 21st century: A role for weight‐of‐evidence and overall persistence

Redman

Bietz

Davis

et al. 2021

Integr Envir Assess & Manag

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Assessing the persistence of chemicals in the environment is a key element in existing regulatory frameworks to protect human health and ecosystems. Persistence in the environment depends on many fate processes, including abiotic and biotic transformations and physical partitioning, which depend on substances' physicochemical properties and environmental conditions. A main challenge in persistence assessment is that existing frameworks rely on simplistic and reductionist evaluation schemes that may lead substances to be falsely assessed as persistent or the other way around—to be falsely assessed as nonpersistent. Those evaluation schemes typically assess persistence against degradation half‐lives determined in single‐compartment simulation tests or against degradation levels measured in stringent screening tests. Most of the available test methods, however, do not apply to all types of substances, especially substances that are poorly soluble, complex in composition, highly sorptive, or volatile. In addition, the currently applied half‐life criteria are derived mainly from a few legacy persistent organic pollutants, which do not represent the large diversity of substances entering the environment. Persistence assessment would undoubtedly benefit from the development of more flexible and holistic evaluation schemes including new concepts and methods. A weight‐of‐evidence (WoE) approach incorporating multiple influencing factors is needed to account for chemical fate and transformation in the whole environment so as to assess overall persistence. The present paper's aim is to begin to develop an integrated assessment framework that combines multimedia approaches to organize and interpret data using a clear WoE approach to allow for a more consistent, transparent, and thorough assessment of persistence. Integr Environ Assess Manag 2022;18:868–887. © 2021 ExxonMobil Biomedical Sciences, Inc. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

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Persistence, bioaccumulation and toxicity-assessment of petroleum UVCBs: A case study on alkylated three-ring PAHs

Cited by 27 publications

References 36 publications

The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs)

The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs)

Linking biodegradation kinetics, microbial composition and test temperature – Testing 40 petroleum hydrocarbons using inocula collected in winter and summer

Moving persistence assessments into the 21st century: A role for weight‐of‐evidence and overall persistence

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