Development of environmental risk assessment framework and methodology for consumer product chemicals in China.

Environmental risk assessment (ERA) methodologies for consumer product chemicals are well established in most developed regions including the United States, Canada, and the European Union. However, such methodologies are not yet fully developed for emerging economies, such as China. The objective of the present study was to develop an ERA framework involving an exposure methodology using conditions specific to China (i.e., physical setting, infrastructure, and consumers' habits and practice). Incorporated in this newly developed ERA framework for assessing consumer product chemicals were China's current regulatory screening and prioritization schemes as part of a tiered risk assessment approach. The framework started with tier 0, which utilized the existing Chinese regulatory qualitative method; tiers 1 and 2 were quantitative, and used deterministic and probabilistic methods that accounted for per capita residential water usage, wastewater treatment capability, and wastewater/in-stream dilution factors. Due to major differences in wastewater treatment infrastructure and water usage between urban versus rural regions in China, 2 scenarios were identified for quantitatively assessing environmental exposure: 1) urban with wastewater treatment, and 2) rural without wastewater treatment (i.e., direct discharge of wastewater). Our study presents the methodology of the framework with its technical rationale and the companion model Chera, and also provides an overview of the current status of ERA research in China. Environ Toxicol Chem 2019;38:250-261. © 2018 SETAC.

Biodegradation of nonionic and anionic surfactants in domestic wastewater under simulated sewer conditions.

The ultimate disposition of chemicals discarded down the drain can be substantially impacted by their fate in the sewer, but to date limited data have been published on the biodegradability of chemicals in sewer systems. The recently established OECD 314 guideline (Simulation tests to assess the biodegradability of chemicals discharged in wastewater, 2008) contains a simulation method (314A) for evaluating the biodegradation of chemicals in sewage under simulated sewer conditions. This research used the OECD 314A method to evaluate the rates and pathways of primary and ultimate biodegradation of a suite of 14C-labeled homologues representing four classes of high volume surfactants including nonionic alkyl ethoxylates (AE), and anionic alkyl ethoxysulfates (AES), alkyl sulfate (AS) and linear alkyl benzene sulfonate (LAS). All the tested homologues exhibited >97 % loss of parent, formation of metabolites, and some level (16-94 %) of CO2 production after being incubated 96-100 h in raw domestic wastewater. Comparison of C12E3, C14E3, and C16E3 showed that the first order biodegradation rate was affected by alkyl chain length with rates ranging from 6.8 h-1 for C12E3 to 0.49 h-1 for C16E3. Conversely, comparison of C14E1, C14E3, and C14E9 showed that the number of ethoxy units did not impact the biodegradation rate. AES and AS degraded quickly with first order kinetic rates of 1.9-3.7 and 41 h-1 respectively. LAS did not exhibit first order decay kinetics and primary degradation was slow. Biodegradation pathways were also determined. This work shows that biodegradation in the sewer has a substantial impact on levels of surfactants and surfactant metabolites that ultimately reach wastewater treatment plants.

Probabilistic determination of the ecological risk from OTNE in aquatic and terrestrial compartments based on US-wide monitoring data.

OTNE [1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one; trade name Iso E Super] is a fragrance ingredient commonly used in consumer products which are disposed down the drain. This research measured effluent and sludge concentrations of OTNE at 44 US wastewater treatment plants (WWTP). The mean effluent and sludge concentrations were 0.69 ± 0.65 µg/L and 20.6 ± 33.8 mg/kg dw respectively. Distribution of OTNE effluent concentrations and dilution factors were used to predict surface water and sediment concentrations and distributions of OTNE sludge concentrations and loading rates were used to predict terrestrial concentrations. The 90th percentile concentration of OTNE in US WWTP mixing zones was predicted to be 0.04 and 0.85 µg/L under mean and 7Q10 low flow (lowest river flow occurring over a 7 day period every 10 years) conditions respectively. The 90th percentile sediment concentrations under mean and 7Q10 low flow conditions were predicted to be 0.081 and 1.6 mg/kg dw respectively. Based on current US sludge application practices, the 90th percentile OTNE terrestrial concentration was 1.38 mg/kg dw. The probability of OTNE concentrations being below the predicted no effect concentration (PNEC) for the aquatic and sediment compartments was greater than 99%. For the terrestrial compartment, the probability of OTNE concentrations being lower than the PNEC was 97% for current US sludge application practices. Based on the results of this study, OTNE concentrations in US WWTP effluent and sludge do not pose an ecological risk to aquatic, sediment and terrestrial organisms.

Evaluation of anionic surfactant concentrations in US effluents and probabilistic determination of their combined ecological risk in mixing zones.

Alcohol sulfates (AS), alcohol ethoxysulfates (AES), linear alkyl benzenesulfonates (LAS) and methyl ester sulfonates (MES) are anionic surfactants that are widely used in household detergents and consumer products resulting in over 1 million tons being disposed of down the drain annually in the US. A monitoring campaign was conducted which collected grab effluent samples from 44 wastewater treatment plants (WWTPs) across the US to generate statistical distributions of effluent concentrations for anionic surfactants. The mean concentrations for AS, AES, LAS and MES were 5.03±4.5, 1.95±0.7, 15.3±19, and 0.35±0.13µg/L respectively. Since each of these surfactants consist of multiple homologues that differ in their toxicity, the concentration of each homologue measured in an effluent sample was converted into a toxic unit (TU) by normalizing to the predicted no effect concentration (PNEC) derived from high tier effects data (mesocosm studies). The statistical distributions of the combined TUs in the effluents were used in combination with distributions of dilution factors for WWTP mixing zones to conduct a US-wide probabilistic risk assessment for the aquatic environment for each of the surfactants. The 90th percentile level of TUs for AS, AES, LAS and MES in mixing zones were 1.89×10-2, 2.73×10-3, 2.72×10-2, and 3.65×10-5 under 7Q10 (lowest river flow occurring over a 7day period every 10years) low flow conditions. Because these surfactants have the same toxicological mode of action, the TUs were summed and the aquatic safety for anionic surfactants as a whole was assessed. At the 90th percentile level under the conservative 7Q10 low flow conditions the forecasted TUs were 4.21×10-2 which indicates that there is a significant margin of safety for the class of anionic surfactants in US aquatic environments.

Determination of biodegradation rates for surfactants and a fatty alcohol in aerobic sediment using a simplified test system.

The development of specific regulatory persistence criteria and a growing need to conduct risk assessments in sediment have increased the need to better understand fate in this compartment. A simplified test approach was developed to assess the fate of chemicals in aerobic sediments and used to evaluate the biodegradation of (14) C-labeled representative analogs of alcohol sulfate, alcohol ethoxylate, alcohol ethoxy sulfate, linear alkylbenzene sulfonate, and tetradecanol in 2 different sediments. The method provides kinetic data on primary and ultimate biodegradation in sediments as well as information on biodegradation pathways and metabolites. All test materials exhibited extensive biodegradation in both sediments; disappearance of parent exhibited biphasic kinetics, described by a 2-compartment model, and mineralization was coupled to parent disappearance with little accumulation of metabolites. The first-compartment decay rates ranged from 10.8 d(-1) to 17.1 d(-1) for tetradecanol, 2.54 d(-1) to 24.8 d(-1) for alcohol sulfate, 0.17 d(-1) to 0.75 d(-1) for alcohol ethoxylate, 0.41 d(-1) to 0.71 d(-1) for alcohol ethoxy sulfate, and 0.26 d(-1) to 1.25 d(-1) for linear alkylbenzene sulfonate. These rates corresponded to half-lives ranging from 0.041 d to 4.08 d. This method's simplicity and focus on only sediment-associated processes offer potential benefits over the current Organisation for Economic Co-operation and Development 308 aerobic sediment-water test. Environ Toxicol Chem 2016;35:2199-2208. © 2016 SETAC.

Widespread Microbial Adaptation to l-Glutamate-N,N-diacetate (L-GLDA) Following Its Market Introduction in a Consumer Cleaning Product.

l-Glutamate-N,N-diacetate (L-GLDA) was recently introduced in the United States (U.S.) market as a phosphate replacement in automatic dishwashing detergents (ADW). Prior to introduction, L-GLDA exhibited poor biodegradation in OECD 301B Ready Biodegradation Tests inoculated with sludge from U.S. wastewater treatment plants (WWTPs). However, OECD 303A Activated Sludge WWTP Simulation studies showed that with a lag period to allow for growth (40-50 days) and a solids retention time (SRT) that allows establishment of L-GLDA degraders (>15 days), significant biodegradation (>80% dissolved organic carbon removal) would occur. Corresponding to the ADW market launch, a study was undertaken to monitor changes in the ready biodegradability of L-GLDA using activated sludge samples from various U.S. WWTPs. Initially all sludge inocula showed limited biodegradation ability, but as market introduction progressed, both the rate and extent of degradation increased significantly. Within 22 months, L-GLDA was ready biodegradable using inocula from 12 WWTPs. In an OECD 303A study repeated 18 months post launch, significant and sustained carbon removal (>94%) was observed after a 29-day acclimation period. This study systematically documented field adaptation of a new consumer product chemical across a large geographic region and confirmed the ability of laboratory simulation studies to predict field adaptation.

Mixing zone and drinking water intake dilution factor and wastewater generation distributions to enable probabilistic assessment of down-the-drain consumer product chemicals in the U.S.

Environmental exposure and associated ecological risk related to down-the-drain chemicals discharged by municipal wastewater treatment plants (WWTPs) are strongly influenced by in-stream dilution of receiving waters which varies by geography, flow conditions and upstream wastewater inputs. The iSTREEM® model (American Cleaning Institute, Washington D.C.) was utilized to determine probabilistic distributions for no decay and decay-based dilution factors in mean annual and low (7Q10) flow conditions. The dilution factors derived in this study are "combined" dilution factors which account for both hydrologic dilution and cumulative upstream effluent contributions that will differ depending on the rate of in-stream decay due to biodegradation, volatilization, sorption, etc. for the chemical being evaluated. The median dilution factors estimated in this study (based on various in-stream decay rates from zero decay to a 1h half-life) for WWTP mixing zones dominated by domestic wastewater flow ranged from 132 to 609 at mean flow and 5 to 25 at low flow, while median dilution factors at drinking water intakes (mean flow) ranged from 146 to 2×10(7) depending on the in-stream decay rate. WWTPs within the iSTREEM® model were used to generate a distribution of per capita wastewater generated in the U.S. The dilution factor and per capita wastewater generation distributions developed by this work can be used to conduct probabilistic exposure assessments for down-the-drain chemicals in influent wastewater, wastewater treatment plant mixing zones and at drinking water intakes in the conterminous U.S. In addition, evaluation of types and abundance of U.S. wastewater treatment processes provided insight into treatment trends and the flow volume treated by each type of process. Moreover, removal efficiencies of chemicals can differ by treatment type. Hence, the availability of distributions for per capita wastewater production, treatment type, and dilution factors at a national level provides a series of practical and powerful tools for building probabilistic exposure models.

Probabilistic assessment of environmental exposure to the polycyclic musk, HHCB and associated risks in wastewater treatment plant mixing zones and sludge amended soils in the United States.

The objective of this work was to conduct an environmental risk assessment for the consumer use of the polycyclic musk, HHCB (CAS No. 1222-05-5) in the U.S. focusing on mixing zones downstream from municipal wastewater treatment plants (WWTPs) and sludge amended soils. A probabilistic exposure approach was utilized combining statistical distributions of effluent and sludge concentrations for the U.S. WWTPs with distributions of mixing zone dilution factors and sludge loading rates to soil to estimate HHCB concentrations in surface waters and sediments below WWTPs and sludge amended soils. These concentrations were then compared to various toxicity values. Measured concentrations of HHCB in effluent and sludge from a monitoring program of 40 WWTPs across the U.S. formed the basis for estimating environmental loadings. Based upon a Monte Carlo analysis, the probability of HHCB concentrations being below the PNEC (predicted no effect concentration) for pelagic freshwater organisms was greater than or equal to 99.87% under both mean and low flow regimes. Similarly, the probability of HHCB concentrations being less than the PNEC for freshwater sediment organisms was greater than or equal to 99.98%. Concentrations of HHCB in sludge amended soils were estimated for single and repeated annual sludge applications with tilling of the sludge into the soil, surface application without tilling and a combination reflecting current practice. The probability of soil HHCB concentrations being below the PNEC for soil organisms after repeated sludge applications was 94.35% with current sludge practice. Probabilistic estimates of HHCB exposures in surface waters, sediments and sludge amended soils are consistent with the published values for the U.S. In addition, the results of these analyses indicate that HHCB entering the environment in WWTP effluent and sludge poses negligible risk to aquatic and terrestrial organisms in nearly all exposure scenarios.

Distributions of polycyclic musk fragrance in wastewater treatment plant (WWTP) effluents and sludges in the United States.

The polycyclic musks, AHTN and HHCB are fragrance ingredients widely used in consumer products. A monitoring campaign was conducted and collected grab effluent and sludge samples at 40 wastewater treatment plants (WWTP) across the United States to understand their occurrence and statistical distribution in these matrices. AHTN concentration in effluent ranged from <0.05 µg/L (LOQ) to 0.44 µg/L with a mean and standard deviation of 0.18 ± 0.11 µg/L. HHCB concentrations in effluent ranged from 0.45 to 4.79 µg/L with a mean of 1.86 ± 1.01 µg/L. AHTN concentrations in sludge ranged from 0.65 to 15.0mg/kg dw (dry weight) with a mean and standard deviation being 3.69 ± 2.57 mg/kg dw, while HHCB sludge concentrations were between 4.1 and 91 mg/kg with a mean of 34.0 ± 23.1mg/kg dw. Measured concentrations of AHTN and HHCB were significantly correlated with each other in both effluent and sludge. The concentrations of HHCB in both effluent and sludge were approximately an order of magnitude higher than those for AHTN, consistent with 2011 usage levels. The highest measured effluent concentrations for both AHTN and HHCB were below their respective freshwater PNECs (predicted no effect concentrations), indicating a negligible risk to biological communities below WWTPs, even in the absence of upstream dilution. Moreover, the large number of effluents and sludges sampled provides a statistical distribution of loadings that can be used to develop more extensive probabilistic exposure assessments for WWTP mixing zones and sludge amended soils.

Probabilistic analysis of risks to US drinking water intakes from 1,4-dioxane in domestic wastewater treatment plant effluents.

The risks of 1,4-dioxane (dioxane) concentrations in wastewater treatment plant (WWTP) effluents, receiving primarily domestic wastewater, to downstream drinking water intakes was estimated using distributions of measured dioxane concentrations in effluents from 40 WWTPs and surface water dilution factors of 1323 drinking water intakes across the United States. Effluent samples were spiked with a d8 -1,4-dioxane internal standard in the field immediately after sample collection. Dioxane was extracted with ENVI-CARB-Plus solid phase columns and analyzed by GC/MS/MS, with a limit of quantification of 0.30 µg/L. Measured dioxane concentrations in domestic wastewater effluents ranged from <0.30 to 3.30 µg/L, with a mean concentration of 1.11 ± 0.60 µg/L. Dilution of upstream inputs of effluent were estimated for US drinking water intakes using the iSTREEM model at mean flow conditions, assuming no in-stream loss of dioxane. Dilution factors ranged from 2.6 to 48 113, with a mean of 875. The distributions of dilution factors and dioxane concentration in effluent were then combined using Monte Carlo analysis to estimate dioxane concentrations at drinking water intakes. This analysis showed the probability was negligible (p = 0.0031) that dioxane inputs from upstream WWTPs could result in intake concentrations exceeding the USEPA drinking water advisory concentration of 0.35 µg/L, before any treatment of the water for drinking use.

A framework for using structural, reactivity, metabolic and physicochemical similarity to evaluate the suitability of analogs for SAR-based toxicological assessments.

A systematic expert-driven process is presented for evaluating analogs for read across in SAR (structure activity relationship) toxicological assessments. The approach involves categorizing potential analogs based upon their degree of structural, reactivity, metabolic and physicochemical similarity to the chemical with missing toxicological data (target chemical). It extends beyond structural similarity, and includes differentiation based upon chemical reactivity and addresses the potential that an analog and target could show toxicologically significant metabolic convergence or divergence. In addition, it identifies differences in physicochemical properties, which could affect bioavailability and consequently biological responses observed in vitro or in vivo. The approach provides a stepwise decision tree for categorizing the suitability of analogs, which qualitatively characterizes the strength of the evidence supporting the hypothesis of similarity and level of uncertainty associated with their use for read across. The result is a comprehensive framework to apply chemical, biochemical and toxicological principles in a systematic manner to identify and evaluate factors that can introduce uncertainty into SAR assessments, while maximizing the appropriate use of all available data.

Colonized beads as inoculum for marine biodegradability assessment: application to linear alkylbenzene sulfonate.

An innovative biodegradation test system was developed in order to fill the current gap for cost effective and environmentally relevant tools to assess marine biodegradability. Glass beads were colonized by a biofilm in an open flow-through system of seawater with continuous pre-exposure to Linear Alkylbenzene Sulfonate (LAS) (20 microg/L). Thereafter, such colonized beads were added as inoculum in different test systems. [(14)C]-LAS (5-100 microg/L) was added and primary and ultimate biodegradation were assessed. The bacterial density collected on the beads (10(9) bact./mL beads) was ca. 3 orders of magnitude higher than the typical seawater content. The LAS mineralization lag phase duration decreased from 55 to <1 days and the mineralization extent increased from 53 to 90% as the colonized beads volume increased from 10 to 275 mL. This is the first demonstration of marine bacteria's ability to mineralize LAS. On the opposite, less than 13% LAS was mineralized in seawater only. The colonized beads possibly enhanced the probability to encounter the full degraders' consortium in a low volume of seawater (100 mL).

Fate of free and linear alcohol-ethoxylate-derived fatty alcohols in activated sludge.

Pure homologues of [1-14C] C12, C14, and C16 alcohols and the linear alcohol ethoxylates, AE [1-14C alkyl] C13E9 and C16E9 were tested in a batch-activated sludge die-away system to assess their biodegradation kinetics and to predict levels of free alcohol derived from AE biodegradation in treated effluent. First-order rates for primary biodegradation were similar for all alcohols (86-113 h(-1)) and were used to predict removal under typical treatment conditions. Predicted removals of fatty alcohols ranged from 99.76% to 99.85%, consistent with published field data. During the biodegradation of the AE homologues, lower than expected levels of fatty alcohol based upon the assumption that biodegradation occurs through central fission were observed. Rather than fatty alcohols, the major metabolites were polar materials resulting from omega oxidation of the alkyl chain prior to or concurrent with central cleavage. The amounts of free fatty alcohols that were formed from AEs in influent and escape into effluent were negligible due both to their rapid degradation and to the finding that formation of free alcohol through central cleavage is only a minor degradation pathway in activated sludge.

Effect of ethoxylate number and alkyl chain length on the pathway and kinetics of linear alcohol ethoxylate biodegradation in activated sludge.

Batch activated-sludge die-away studies were conducted with various pure homologs to determine the effect of ethoxylate number and alkyl chain length on the kinetics of primary and ultimate biodegradation of linear alcohol ethoxylates. The 14C-(ethoxylate) homologs C14E1, C14E3, C14E6, and C14E9 were used to investigate the effect of ethoxylate number, and 14C-(ethoxylate) homologs C12E6, C14E6, and C16E6 were used to examine the effect of chain length. Activated sludge was dosed with a trace concentration (0.2 microM) of each homolog, and the disappearance of parent, formation of metabolites, production of 14CO2, and uptake into solids were monitored with time. Ethoxylate number had little effect on the first-order decay rates for primary biodegradation, which ranged from 61 to 78 h(-1). However, alkyl chain length had a larger effect, with the C16 chain-length homolog exhibiting a slower rate of parent decay (18 h(-1)) compared to its corresponding C12 and C14 homologs (61-69 h(-1)). Ethoxylate number affected the mechanism of biodegradation, with fission of the central ether bond to yield the corresponding fatty alcohol and (poly)ethylene glycol group increasing in dominance with increasing ethoxylate number. Based upon the measured rates of primary biodegradation, removal of parent during activated-sludge treatment was predicted to range between 99.7 and 99.8% for all homologs except C16E6, which had a predicted removal of 98.9%. Based upon the measured rates of ultimate biodegradation, removal of ethoxylate-containing metabolites was predicted to exceed 83% for all homologs. These predictions corresponded closely with previously published removal measurements in laboratory continuous activated-sludge systems and actual treatment plants.

Anaerobic biodegradation of aliphatic polyesters: poly(3-hydroxybutyrate-co-3-hydroxyoctanoate) and poly(epsilon-caprolactone).

Poly(3-hydroxybutyrate-co-3-hydroxyoctanoate), PHBO, represents a class of PHA copolymers that contain both short-chain-length and medium-chain-length repeat units. Radiolabeled and cold PHBO, containing 90 mol % 3-hydroxybutyrate and 10 mol % 3-hydroxyoctanoate were chemically synthesized using a new difunctional alkoxyzinc initiator. (14)C-PHBO was incubated with samples of anaerobic digester sludge, septage, freshwater sediment, and marine sediment under conditions resembling those in situ. In addition, it was incubated in laboratory-scale landfill reactors. (14)C-PCL (poly-epsilon-caprolactone) was incubated with anaerobic digester sludge and in landfill reactors. Biodegradation was determined by measuring generation of (14)CO(2) and (14)CH(4) resulting from mineralization of the radiolabeled polymers. PHBO was extensively mineralized in digester sludge, septage sediments, and the landfill reactors, with half-lives less than 30 days. PCL was not significantly mineralized in digester sludge over 122 days. In the landfill reactors, PCL mineralization was slow and was preceded by a long lag period (>200 days), suggesting that PCL mineralization is limited by its rate of hydrolysis. The results indicate that PHBO is practically biodegradable in the major anaerobic habitats that it may enter. In contrast, anaerobic biodegradation of PCL is less ubiquitous and much slower.

Fate and effects of triclosan in activated sludge.

Triclosan (TCS; 5-chloro-2-[2,4-dichloro-phenoxy]-phenol) is a widely used antimicrobial agent. To understand its fate during sewage treatment, the biodegradation and removal of TCS were determined in activated sludge. In addition, the effects of TCS on treatment processes were assessed. Fate was determined by examining the biodegradation and removal of TCS radiolabeled with 14C in the 2,4-dichlorphenoxy ring in laboratory batch mineralization experiments and bench-top continuous activated-sludge (CAS) systems. In batch experiments with unacclimated sludge, TCS was mineralized to 14CO2, but the total yield varied as a function of test concentration. Systems that were redosed with TCS exhibited more extensive and faster mineralization, indicating that adaptation was a critical factor determining the rate and extent of biodegradation. In a CAS study in which the influent level of TCS was incrementally increased from 40 microg/L to 2,000 microg/L, removal of the parent compound exceeded 98.5% and removal of total radioactivity (parent and metabolites) exceeded 85%. Between 1.5 and 4.5% of TCS in the influent was sorbed to the wasted solids, whereas >94% underwent primary biodegradation and 81 to 92% was mineralized to CO2 or incorporated in biomass. Increasing levels of TCS in the influent had no major adverse effects on any wastewater treatment process, including chemical oxygen demand, biological oxygen demand, and ammonia removal. In a subsequent experiment, a CAS system, acclimated to TCS at 35 microg/L, received two separate 4-h shock loads of 750 microg/L TCS. Neither removal of TCS nor treatment processes exhibited major adverse effects. An additional CAS study was conducted to examine the removal of a low level (10 microg/L) of TCS. Removal of parent equaled 94.7%, and biodegradation remained the dominant removal mechanism. A subsequent series of CAS experiments examined removal at four influent concentrations (7.5, 11, 20, and 50 microg/L) of TCS and demonstrated that removal of parent ranged from 98.2 to 99.3% and was independent of concentration. Although TCS removal across all experiments appeared unrelated to influent concentration, removal was significantly correlated (r2 = 0.87) with chemical oxygen demand removal, indicating that TCS removal was related to overall treatment efficiency of specific CAS units. In conclusion, the experiments show that TCS is extensively biodegraded and removed in activated-sludge systems and is unlikely to upset sewage treatment processes at levels expected in household and manufacturing wastewaters.

A framework for prioritizing fragrance materials for aquatic risk assessment.

More than 2,100 chemically defined organic chemicals are listed in the Research Institute of Fragrance Materials/Flavor and Extract Manufacturers' Association (RIFM/FEMA) Database that are used as ingredients of fragrances for consumer products. An approach was developed for prioritizing these fragrance materials for aquatic risk assessment by first estimating the predicted environmental concentration (PEC) of these fragrance materials in the aquatic environment based upon their physicochemical properties and annual volume of use. Subsequently, an effect level was predicted with a general quantitative structure-activity relationship (QSAR) for aquatic toxicity, and a predicted no-effect concentration (PNEC) was calculated from this effect level by using an assessment factor (AF) that accounts for uncertainty in the toxicity QSAR prediction. A conservative AF of 10(6) was applied to the endpoint predicted by the QSAR to provide an adequate margin of safety in the calculation of the PNEC. The PEC was compared to the PNEC to characterize the risk to freshwater aquatic organisms (e.g., Daphnia magna and Pimephales promelas). If the ratio of PEC to PNEC was below one, the material was considered to have negligible environmental risk and to be acceptable for the aquatic environment at current use levels. If this ratio exceeded one, the PNEC was refined by using more specific QSAR models (Ecological Structure-Activity Relationships [ECOSAR]). If the ratio continued to exceed one, the material became a candidate for further aquatic risk assessment procedures, which involve iterative steps to refine the PEC, the PNEC, or both by using measured ecotoxicological endpoints. Prioritization for this latter process can be based upon the magnitudes of the estimated PEC:PNEC ratios. When using the first tier of this approach, only 568 of 2,141 fragrance materials (26.5%) in the RIFM/FEMA Database had PEC:PNEC ratios greater than one. This percentage decreased to only 164 materials (7.7%) when PNECs were derived with ECOSAR. Comparison of predicted PECs and PNECs with those based upon measured data confirmed the conservatism and low risk for type I errors associated with the framework. These combined exercises demonstrated the ability of this highly precautionary risk-based screening approach to quickly prioritize a large number of materials without benefit of experimental ecotoxicological or fate data.

Mineralization of Surfactants by Microbiota of Aquatic Plants.

The biodegradation of linear alkylbenzene sulfonate (LAS) and linear alcohol ethoxylate (LAE) by the microbiota associated with duckweed (Lemna minor) and the roots of cattail (Typha latifolia) was investigated. Plants were obtained from a pristine pond and a pond receiving wastewater from a rural laundromat. Cattail roots and duckweed plants were incubated in vessels containing sterile water amended with [C]LAS, [C]LAE, or C-labeled mixed amino acids (MAA). Evolution of CO(2) was determined over time. The microbiota of cattail roots from both ponds mineralized LAS, LAE, and MAA without lag periods, and the rates and extents of mineralization were not significantly affected by the source of the plants. Mineralization of LAS and LAE was more rapid in the rhizosphere than in nearby root-free sediments, which exhibited differences as a function of pond. The microbiota of duckweed readily mineralized LAE and MAA but not LAS. The rate and extent of mineralization were not affected by the source of the duckweed.