Chemical activity–based environmental risk analysis of the plasticizer di‐ethylhexyl phthalate and its main metabolite mono‐ethylhexyl phthalate

Gobas, Frank A.P.C.; Otton, S. Victoria; Tupper-Ring, Laura F.; Crawford, Meara A.; Clark, Kathryn; Ikonomou, Michael G.

doi:10.1002/etc.3689

Cited by 23 publications

(18 citation statements)

References 39 publications

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“…Methods for the conversion of chemical activities to environmentally and experimentally relevant concentrations are also available. Chemical activity calculators exist for water, sediment, soil, air, and biological media of varying compositions as well as for experimentally relevant media such as incubation media in in vitro bioassays (Gobas et al ). Also, methods exist to calculate the chemical activity in in vitro bioassays used in high‐throughput toxicity testing (Armitage et al ).…”

Section: Discussionmentioning

confidence: 99%

“…For chemicals in heterogeneous environmental media, a combined solubility ( S T ) of the chemical in the environmental matrix can be derived from the solubilities of the chemical in the constituent pure media

S_{T} = {normalΣ}_{j = 1}^{m} ϕ_{j} \times S_{j}

where ϕ j is the volume fraction of each component j of a particular medium consisting of m components. Methods to derive chemical activities from concentrations in a range of environmental and experimental media can be found online (Gobas et al ) The methods are presented in an Excel spreadsheet and aim to facilitate the calculation of chemical activities. Chemical activity can also be measured in the laboratory and field by passive sampling using various polymers such as polydimethylsiloxane, low‐density polyethylene, and polyoxymethylene (Ghosh et al ) as discussed in further detail in the next section.…”

Section: Theorymentioning

confidence: 99%

“…For example, Ding et al (, ) reported the toxicity of several pesticides in Chironomus dilutus and Hyalella azteca in terms of the concentration of the pesticide in the polymer used for passive sampling (derived by equilibrating aqueous test media with fibers coated with polydimethylsiloxane) and the concentration of the pesticide in the lipids of the exposed test organisms (obtained by tissue and lipid analysis of test organisms collected at the end of the tests). We converted the concentrations in the passive sampling polymer into an external chemical activity and the concentrations in the lipids into an internal chemical activity (Figure ) using the Activity Calculator (Gobas et al ) as described in the Supplemental Data. Figure shows that toxicity was exerted at internal chemical activities in the organism that are far below the range of chemical activities associated with baseline toxicity.…”

Section: Theorymentioning

confidence: 99%

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A chemical activity approach to exposure and risk assessment of chemicals

Gobas

Mayer

Parkerton

et al. 2018

Enviro Toxic and Chemistry

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To support the goals articulated in the vision for exposure and risk assessment in the twenty-first century, we highlight the application of a thermodynamic chemical activity approach for the exposure and risk assessment of chemicals in the environment. The present article describes the chemical activity approach, its strengths and limitations, and provides examples of how this concept may be applied to the management of single chemicals and chemical mixtures. The examples demonstrate that the chemical activity approach provides a useful framework for 1) compiling and evaluating exposure and toxicity information obtained from many different sources, 2) expressing the toxicity of single and multiple chemicals, 3) conducting hazard and risk assessments of single and multiple chemicals, 4) identifying environmental exposure pathways, and 5) reducing error and characterizing uncertainty in risk assessment. The article further illustrates that the chemical activity approach can support an adaptive management strategy for environmental stewardship of chemicals where "safe" chemical activities are established based on toxicological studies and presented as guidelines for environmental quality in various environmental media that can be monitored by passive sampling and other techniques. Environ Toxicol Chem 2018;37:1235-1251. © 2018 The Authors. Published by Wiley Periodicals, Inc. on behalf of SETAC.

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Section: Discussionmentioning

confidence: 99%

S_{T} = {normalΣ}_{j = 1}^{m} ϕ_{j} \times S_{j}

Section: Theorymentioning

confidence: 99%

Section: Theorymentioning

confidence: 99%

See 1 more Smart Citation

A chemical activity approach to exposure and risk assessment of chemicals

Gobas

Mayer

Parkerton

et al. 2018

Enviro Toxic and Chemistry

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“…Once absorbed, phthalate diesters are quickly metabolized into monoesters (as MEHP), which are biologically active and ultimately excreted in urine (Genuis et al, 2012). DEHP metabolite, the mono (2-ethylhexyl) phthalate (MEHP), is the most toxic and active one among these phthalates (Gobas et al, 2016). The EFSA and the European Chemical agency (ECHA) established a TDI of 50 µg/kg bw/day for DEHP (EFSA, 2015;ECHA, 2010).…”

Section: Introductionmentioning

confidence: 99%

“…These metabolites are not toxic in comparison to BPA (Gramec Skledar and Peterlin Mašič, 2016). Instead, DEHP is metabolized into mono (2-ethylhexyl) phthalate (MEHP), which is more toxic than DEHP (Gobas et al, 2016;Latini, 2005).…”

Section: Introductionmentioning

confidence: 99%

Prenatal exposure estimation of BPA and DEHP using integrated external and internal dosimetry: A case study

Martínez

Rovira

Sharma

et al. 2017

Environmental Research

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Prenatal exposure to Endocrine disruptors (EDs), such as Bisphenol A (BPA) and di (2-ethylhexyl) phthalate (DEHP), has been associated with obesity and diabetes diseases in childhood, as well as reproductive, behavioral and neurodevelopment problems. The aim of this study was to estimate the prenatal exposure to BPA and DEHP through food consumption for pregnant women living in Tarragona County (Spain). Probabilistic calculations of prenatal exposure were estimated by integrated external and internal dosimetry modelling, physiologically based pharmacokinetic (PBPK) model, using a Monte-Carlo simulation. Physical characteristic data from the cohort, along with food intake information from the questionnaires (concentrations of BPA and DEHP in different food categories and the range of the different food ratios), were used to estimate the value of the total dietary intake for the Tarragona pregnancy cohort. The major contributors to the total dietary intake of BPA were canned fruits and vegetables, followed by canned meat and meat products. In turn, milk and dairy products, followed by ready to eat food (including canned dinners), were the most important contributors to the total dietary intake of DEHP. Despite the dietary variations among the participants, the intakes of both chemicals were considerably lower than their respective current tolerable daily intake (TDI) values established by the European Food Safety Authority (EFSA). Internal dosimetry estimates suggest that the plasma concentrations of free BPA and the most important DEHP metabolite, mono (2-ethylhexyl) phthalate (MEHP), in pregnant women were characterized by transient peaks (associated with meals) and short half-lives (< 2h). In contrast, fetal exposure was characterized by a low and sustained basal BPA and MEHP concentration due to a lack of metabolic activity in the fetus. Therefore, EDs may have a greater effect on developing organs in young children or in the unborn child.

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PFAS Exposure Pathways for Humans and Wildlife: A Synthesis of Current Knowledge and Key Gaps in Understanding

Silva

Armitage

Bruton

et al. 2021

Enviro Toxic and Chemistry

420

225

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We synthesize current understanding of the magnitudes and methods for assessing human and wildlife exposures to poly‐ and perfluoroalkyl substances (PFAS). Most human exposure assessments have focused on 2 to 5 legacy PFAS, and wildlife assessments are typically limited to targeted PFAS (up to ~30 substances). However, shifts in chemical production are occurring rapidly, and targeted methods for detecting PFAS have not kept pace with these changes. Total fluorine measurements complemented by suspect screening using high‐resolution mass spectrometry are thus emerging as essential tools for PFAS exposure assessment. Such methods enable researchers to better understand contributions from precursor compounds that degrade into terminal perfluoroalkyl acids. Available data suggest that diet is the major human exposure pathway for some PFAS, but there is large variability across populations and PFAS compounds. Additional data on total fluorine in exposure media and the fraction of unidentified organofluorine are needed. Drinking water has been established as the major exposure source in contaminated communities. As water supplies are remediated, for the general population, exposures from dust, personal care products, indoor environments, and other sources may be more important. A major challenge for exposure assessments is the lack of statistically representative population surveys. For wildlife, bioaccumulation processes differ substantially between PFAS and neutral lipophilic organic compounds, prompting a reevaluation of traditional bioaccumulation metrics. There is evidence that both phospholipids and proteins are important for the tissue partitioning and accumulation of PFAS. New mechanistic models for PFAS bioaccumulation are being developed that will assist in wildlife risk evaluations. Environ Toxicol Chem 2021;40:631–657. © 2020 SETAC

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Chemical activity–based environmental risk analysis of the plasticizer di‐ethylhexyl phthalate and its main metabolite mono‐ethylhexyl phthalate

Cited by 23 publications

References 39 publications

A chemical activity approach to exposure and risk assessment of chemicals

A chemical activity approach to exposure and risk assessment of chemicals

Prenatal exposure estimation of BPA and DEHP using integrated external and internal dosimetry: A case study

PFAS Exposure Pathways for Humans and Wildlife: A Synthesis of Current Knowledge and Key Gaps in Understanding

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