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Publications: Industrial and Specialty Chemicals

PostersIndustrial and Specialty Chemicals2015

Hepatic Biotransformation of 14C-Decamethylcyclopentasiloxane (D5) and 14C-Decamethyltetrasiloxane (L4) in Fish, Birds and Mammals

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PRESENTATION DATE: Thursday, November 5, 2015

LOCATION: Exhibit Hall


When considering bioconcentration (BCF), bioaccumulation (BAF) and trophic magnification (TMF) assessments, biotransformation and elimination of a chemical are important processes within an organism to understand. Recent efforts have been made in extrapolating in vitro fish biotransformation data to a whole body BCF value in an effort to better guide the need for an OECD 305 fish bioconcentration study. By integrating biotransformation estimates into BCF models, a more realistic estimation of BCF can be calculated while providing a cost-effective assay that uses less vertebrate animals. Building on this single species extrapolation concept, biotransformation data from multiple species may be used to construct a biomagnification or trophic magnification model for a given chemical. Using 14C radiolabelled compounds and high performance liquid radiochromatography, in vitro metabolism data utilizing liver microsomes were developed for a cyclic siloxane, D5, and a linear siloxane, L4. Of the species investigated, mink demonstrated the greatest potential to biotransform D5 and L4 siloxane. 14C radiochromatograms show the loss of D5 and L4 siloxane, as well as increases in metabolite production over the 60 min incubation period. The percentage loss of D5 was similar with human and rat microsomes and greater then observed with fish. The percentage loss of D5 in birds is low compared to fish and mammals. Similar relationships for loss of parent hold true for L4 (kestrel data not available). These data suggest that D5 and L4 siloxane are biotransformed by a wide array of species, which can influence “B” assessments. In addition, these data can be used to estimate whole-body rates of metabolism for incorporation into predictive environmental assessments.

Duane Huggett, Waterborne Environmental; Mark Cantu, David Hala, University of North Texas; Jeanne Domoradzki, Debra McNett,Dow Corning Corporation.”Hepatic Biotransformation of 14C-Decamethylcyclopentasiloxane (D5) and 14C-Decamethyltetrasiloxane (L4) in Fish, Birds and Mammals”. SETAC Salt Lake City November 2015.

PostersAgriculture and Food, Home and Personal Care Products, Industrial and Specialty Chemicals2015

Green-washing: What Is a Meaningful Ecolabel

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PRESENTATION DATE: Wednesday, November 4, 2015

LOCATION: Exhibit Hall


Currently there are over 400 ecolabels for food and consumer products in the global marketplace. These labels are marketing efforts informing the purchaser of a variety of claims of sustainability measures enacted by companies. The marketplace is flooded with several similar claims on whether a product is less hazardous, sustainable, organic, non-GMO, fair-trade, recyclable, recycled, carbon neutral, or biodegradable. Generally there are four types of labels in order of volume, 1) voluntary environmental certification programs, 2) self- or 3) cause-related claims and 4) governmentally regulated. The federal, some state, and International governments have limited direct roles in ecolabeling beyond mandatory hazard warning (e.g., pesticide or Prop. 65) or informational disclosures (EPA fuel economy, certified organic, WaterSense, or Energy Star). There are several third-party certification and quasi-governmental programs that lend credibility to an ecolabel; however, standardization or centralization of these programs are lacking. Several seals of approval overlap in required data for certification; however, a comprehensive comparison of each standard has not been performed. The US EPA and GAO are reviewing the Environmentally Preferable Purchasing program currently by reviewing a subset of ecolabeling in regards to building paints/coatings/removers, building flooring, and furniture; however, implications towards the general public are unknown. Several questions arise when considering comparison of ecolabeling standards. What would be the best way to implement meaningful change to ecolabel marketing? Develop a list and score each label? Who will collect the information and develop trustworthy comprehensive scoring standards for each product sector? How to engage all stakeholders to agree on the standards? Finally how does all the data collection conform to expanding regulations such as Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), Restriction of Hazardous Substances (RoHS) Directive, California’s Safer Consumer Products, and Washington’s Chemicals of High Concern to Children?

Nikki Maples-Reynolds, Duane Huggett, Waterborne Environmental.”Green-washing: What Is a Meaningful Ecolabel”. SETAC Salt Lake City November 2015.

PresentationsIndustrial and Specialty Chemicals2015

Characterization of HFO-1233zd (E) Leaching Potential Using Numerical Simulation

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The objective of this simulation was to characterize environmental fate properties of HFO-1233zd (E) and compare them with other relatively well characterized ‘benchmarking’ chemicals. The benchmarking chemicals used in this simulation are methyl-bromide, trans-1,2-dichloroethylene and tri-chloroethene. The simulations were run using EpiSuite(1) and PRZM(2) simulation packages to determine the mass partitioning behavior of all four chemicals in different environmental compartments.

The PRZM simulations were used to identify a highly conservative scenario for a continuous leak of each compound over a period of 15 years. The conditions for simulations, outlining a conservative scenario, were selected to provide a soil with the easiest transition to sub-surface ground water and weather conditions selected to represent the least beneficial for volatility. Using the conservative scenario for transport of HFO-1233zd from a continuous surface leak at the soil surface, results from the PRZM model indicate that HFO-1233zd will volatilize (99.66 % of applied mass for HFO-1233zd) the most of the compounds studied. HFO-1233zd that penetrates the soil surface would have the lowest relative mass that is retained in the top 1m of soil, followed by methyl-bromide, TCE and then trans-dichloroethylene which has the highest retention of the compounds modeled.. Also, the PRZM model results indicate that HFO-1233zd will have the smallest relative percentage of leaching potential. Finally, the modeling results are also consistent with the physical-chemical properties of all of the compounds that were included in this study.

Michael K. Mrozik, Daniel Perkins, Kevin Wright, Mark Cheplick, Gregg Hancock, Waterborne Environmental; Sandeep Mukhi, Honeywell.”Characterization of HFO-1233zd (E) Leaching Potential Using Numerical Simulation”. ACS Boston 2015. 

PostersHome and Personal Care Products, Human Pharmaceuticals, Industrial and Specialty Chemicals2014

Tools for Probabilistic Environmental Exposure Assessment of “Down-The-Drain” Chemicals in The U.S.

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Environmental exposure assessment of down-the-drain chemicals (home and personal care products, pharmaceuticals, etc.) is strongly dependent upon the in-stream dilution of receiving waters, which varies by geography and flow conditions. In this study, the iSTREEM® model (www.istreem.org, American Cleaning Institute) was utilized to delineate probabilistic distributions of practical dilution factors (flow-based as well as incorporating varying chemical biodegradation rates) in mean and low flow conditions, as well as the national distribution of per capita domestic wastewater production. The distributions yielded by this work can serve as a reference for probabilistic exposure assessments for down-the-drain chemicals in wastewater treatment plant (WWTP) mixing zones and at drinking water intakes in the conterminous U.S. In addition, an assessment of treatment processes based on the WWTP facilities within the iSTREEM model provided an assessment of the proportion of wastewater flow volume treated by various processes (activated sludge, lagoon, etc.). The ability to quantitatively evaluate waste water production, treatment, and dilution in a spatial context provides a practical and powerful tool for assessing exposure and risk of down-the-drain chemicals of various types.

Katherine E. Kapo, Kathleen McDonough, Tom Federle, Scott D. Dyer, Raghu Vamshi, Chris M. Holmes. Tools for Probabilistic Environmental Exposure Assessment of “Down-The-Drain” Chemicals in The U.S. SETAC North America 35th Annual Meeting, Vancover, B.C. November 14, 2014.

PostersIndustrial and Specialty Chemicals2014

Washoff Potential of Pyrethroid Products From External Building Materials and Driveway Concrete Under Indoor Simulated Rainfall Conditions

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Two studies were conducted to investigate the washoff potential of pyrethroid residues arising from urban/residential use patterns. Using a laboratory research track sprayer and indoor rainfall simulator, commercially available pyrethroid products were applied to small concrete slabs at typical label rates and subjected to a one-hour 25mm simulated rainfall event. The first study examined washoff from 2 commercial formulations of the same active ingredient (AI) applied to a wide range of building materials including concrete, asphalt, wood, vinyl, stucco, and aluminum. The second study further investigated the effects of formulation on driveway concrete using 17 commercial products covering a wide range of formulations and a number of different active ingredients. Chemical analyses quantified the mass of active ingredients found in the washoff and results were expressed as percent of applied chemical washed off. The studies found textured surfaces demonstrated reduced mass washoff compared to smoother surfaces and that, while pyrethroid AI’s generally behaved similarly, different formulations could cause significant differences in washoff potential.

Jennifer R. Trask, Paul Hendley, Russell L. Jones, Christopher M Harbourt, Joseph R. Chepega, Megan Cox, Paul Miller. (1) Waterborne Environmental, Inc., Leesburg, VA 20175, United States, (2) Phasera Ltd., Bracknell, Berkshire RG12 2JJ, United Kingdom, (3) Bayer CropScience LP, Research Triangle Park, NC 27709, United States

Papers & ReportsIndustrial and Specialty Chemicals2014

Washoff Of Cypermethrin Residues From Slabs of External Building Material Surfaces Using Simulated Rainfall

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The use of pesticides by homeowners or pest-control operators in urban settings is common, yet contributions of washoff from these materials are not easily understood. In the present study, cypermethrin, formulated as Cynoff EC (emulsifiable concentrate) and Cynoff WP (wettable powder) insecticides, was applied at typical rates to 10 different building material surfaces to examine its washoff potential from each surface. Using an indoor rainfall simulator, a 1-h rainfall event was generated and washoff samples were collected from 3 replicates of each surface type. Washoff was analyzed for cypermethrin using gas chromatography-negative chemical ionization mass spectrometry. An analysis of variance for a split-plot design was performed. Many building materials had similar water runoff masses, but asphalt resulted in significantly reduced average water runoff masses (73% less). The Cynoff WP formulation generally produced greater cypermethrin washoff than the Cynoff EC formulation. In addition, results for both the WP and EC formulations indicated that smoother surfaces such as vinyl and aluminum siding had higher washoff (1.0–14.1% mean percentage of applied mass). Cypermethrin washoff from rough absorptive surfaces like concrete and stucco was lower and ranged from 0.1 to 1.3% and from 0 to 0.2%, respectively, mean percentage of applied mass. Both building material surface and formulation play a significant role in cypermethrin washoff.

Trask, J. R., Harbourt, C. M., Miller, P., Cox, M., Jones, R., Hendley, P. and Lam, C., Washoff of cypermethrin residues from slabs of external building material surfaces using simulated rainfall. Environ Toxicol Chem 2014;33:302–307. doi: 10.1002/etc.2432.

Papers & ReportsIndustrial and Specialty Chemicals2012


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A next-generation mobile automobile air-conditioning (MAC) refrigerant, HFO-1234yf (CF3CF¼CH2), is being developed with improved environmental characteristics. In the atmosphere, it ultimately forms trifluoroacetic acid (TFA(A); CF3COOH), which is subsequently scavenged by precipitation and deposited on land and water as trifluoroacetate (TFA; CF3COO-). Trifluoroacetate is environmentally stable and has the potential to accumulate in terminal water bodies, that is, aquatic systems receiving inflow but with little or no outflow and with high rates of evaporation. Previous studies have estimated the emission rates of HFO-1234yf and have modeled the deposition concentrations and rates of TFA across North America. The present study uses multimedia modeling and geographic information system (GIS)-based modeling to assess the potential concentrations of TFA in terminal water bodies over extended periods. After 10 years of emissions, predicted concentrations of TFA in terminal water bodies across North America are estimated to range between current background levels (i.e., 0.01–0.22 mg/L) and 1 to 6 mg/L. After 50 years of continuous emissions, aquatic concentrations of 1 to 15 mg/L are predicted, with extreme concentrations of up to 50 to 200 mg/L in settings such as the Sonoran Desert along the California/Arizona (USA) border. Based on the relative insensitivity of aquatic organisms to TFA, predicted concentrations of TFA in terminal water bodies are not expected to impair aquatic systems, even considering potential emissions over extended periods.

Russell, M. H., Hoogeweg, G., Webster, E. M., Ellis, D. A., Waterland, R. L. and Hoke, R. A. (2012), TFA from HFO-1234yf: Accumulation and aquatic risk in terminal water bodies. Environmental Toxicology and Chemistry, 31: 1957–1965. doi: 10.1002/etc.1925