Toxic Equivalency Factors Research Articles

Structure-Activity Relationship Studies Using Natural and Synthetic Okadaic Acid/Dinophysistoxin Toxins.

Okadaic acid (OA) and the closely related dinophysistoxins (DTXs) are algal toxins that accumulate in shellfish and are known serine/threonine protein phosphatase (ser/thr PP) inhibitors. Phosphatases are important modulators of enzyme activity and cell signaling pathways. However, the interactions between the OA/DTX toxins and phosphatases are not fully understood. This study sought to identify phosphatase targets and characterize their structure–activity relationships (SAR) with these algal toxins using a combination of phosphatase activity and cytotoxicity assays. Preliminary screening of 21 human and yeast phosphatases indicated that only three ser/thr PPs (PP2a, PP1, PP5) were inhibited by physiologically saturating concentrations of DTX2 (200 nM). SAR studies employed naturally-isolated OA, DTX1, and DTX2, which vary in degree and/or position of methylation, in addition to synthetic 2-epi-DTX2. OA/DTX analogs induced cytotoxicity and inhibited PP activity with a relatively conserved order of potency: OA = DTX1 ≥ DTX2 >> 2-epi-DTX. The PPs were also differentially inhibited with sensitivities of PP2a > PP5 > PP1. These findings demonstrate that small variations in OA/DTX toxin structures, particularly at the head region (i.e., C1/C2), result in significant changes in toxicological potency, whereas changes in methylation at C31 and C35 (tail region) only mildly affect potency. In addition to this being the first study to extensively test OA/DTX analogs’ activities towards PP5, these data will be helpful for accurately determining toxic equivalence factors (TEFs), facilitating molecular modeling efforts, and developing highly selective phosphatase inhibitors.

Characterization, source apportionment, and risk assessment of polycyclic aromatic hydrocarbons in urban soil of Nanjing, China

Polycyclic aromatic hydrocarbons (PAHs) are widespread in the urban environment, particularly in urban soil, which are affected by intensive human activities. The purpose of this study was to determine the levels of PAHs in urban areas of Nanjing, China, apportion their sources, and evaluate their health risk. One hundred eighty topsoil samples (0–10 cm) were collected from 180 grids of 1 km × 1 km in the main urban area of Nanjing, China, which was divided into four different land use classes. All the soil samples were analyzed for 16 US Environmental Protection Agency (US EPA) priority PAHs by HPLC. Source of PAHs was explained by isomer ratios and principal component analysis, and health risk of PAHs was assessed by benzo[a]pyrene (BaP) toxic equivalency factors. The average concentration of PAHs ranged from 41.19 to 7016.65 μg kg−1, with an average of 979.59 μg kg−1. PAHs in soil characterized by different land uses, in decreasing order, were as follows: university (UN) > traffic area (TA) > forest park (FP) > residential area (RA). PAHs in FP soils were mainly attributed to biomass combustion, while TA soils exhibited clear traffic emission characteristics. PAHs for UN and RA came from mixed sources. A principle component analysis (PCA) and ordinary kriging map indicated coal combustion and vehicle emissions as the major contributors to PAHs in Nanjing urban soils, respectively. A health risk assessment based on the BaP toxic equivalency approach indicated a potential risk level of PAHs. The mean value of PAH concentrations in UN was the highest. However, the maximum was detected in TA. The PAHs in soil samples originated mainly from coal combustion and petroleum combustion sources. There was a potential health risk level of PAHs in Nanjing urban areas.

Level of Alkenylbenzenes in Parsley and Dill Based Teas and Associated Risk Assessment Using the Margin of Exposure Approach.

Risk assessment of parsley and dill based teas that contain alkenylbenzenes was performed. To this end the estimated daily intake (EDI) of alkenylbenzenes resulting from use of the teas was quantified. Since most teas appeared to contain more than one alkenylbenzene, a combined risk assessment was performed based on equal potency of all alkenylbenzenes or using a so-called toxic equivalency (TEQ) approach through defining toxic equivalency factors (TEFs) for the different alkenylbenzenes. The EDI values resulting from consuming one cup of tea a day were 0.2-10.1 μg/kg bw for the individual alkenylbenzenes, 0.6-13.1 μg/kg bw for the sum of the alkenylbenzenes, and 0.3-10.7 μg safrole equiv/kg bw for the sum of alkenylbenzenes when expressed in safrole equivalents. The margin of exposure (MOE) values obtained were generally <10000, indicating a concern if the teas would be consumed on a daily basis over longer periods of time.

Potential risk reduction of Aroclor 1254 by microbial dechlorination in anaerobic Grasse River sediment microcosms

Aroclor 1254 was the second most produced commercial PCB mixture and is found in soils, sediments and sewage throughout the globe. This commercial PCB mixture is considered particularly toxic because of the relatively high concentrations of congeners with dioxin-like properties. The potential for risk reduction by microbial reductive dechlorination of Aroclor 1254 (A1254) was investigated in sediment microcosms from Grasse River (GR), Massena, NY. The specificity of A1254 dechlorination was doubly- and singly-flanked chlorines in meta positions and to a less extent doubly-flanked para chlorines of 2345-substituted chlorobiphenyl rings. The average dechlorination rate of A1254 was 0.0153 Cl−/biphenyl/day, and dechlorination rates of single congeners ranged between 0.001 and 0.0074 Cl−/biphenyl/day. Potential risk associated with A1254 based on the toxic equivalency factors of the dioxin-like congeners was reduced by 83%. Additional potential risk associated with bioaccumulation in fish was reduced by 35% based on biota-sediment accumulation factor estimates for all detected congeners. Finally, the dechlorination end-products were tri- and tetra-chlorobiphenyls with unflanked chlorines, all of which are susceptible to further degradation by aerobic microorganisms. The combined results indicate that microbial reductive dechlorination has the potential for reducing risk associated with toxicity and bioaccumulation in fish in sites contaminated with A1254.

Chemical Degradation of PCDD/F in Contaminated Sediment

Abstract Due to the extreme toxicity of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F), the remediation of PCDD/F aquifer source zones is greatly needed; however, it is very difficult due to their persistence and recalcitrance. The potential degradability of PCDD/F bound to a real matrix was studied in five systems: iron in a high oxidation state (ferrate), zero-valent iron nanoparticles (nZVI), palladium nanopowder (Pd), a combination of nZVI and Pd, and persulfate (PSF). The results were expressed by comparing the total toxicity of treated and untreated samples. This was done by weighting the concentrations of congeners (determined using a standardized GC/HRMS technique) by their defined toxicity equivalent factors (TEF). The results indicated that only PSF was able to significantly degrade PCDD/F. Toxicity in the system decreased by 65% after PSF treatment. Thus, we conclude that PSF may be a potential solution for in-situ remediation of soil and groundwater at PCDD/F contaminated sites.

Relative effect potency estimates of dioxin-like activity for dioxins, furans, and dioxin-like PCBs in adults based on cytochrome P450 1A1 and 1B1 gene expression in blood

BackgroundIn the risk assessment of PCDDs, PCDFs, and dioxin-like (DL) PCBs, regulatory authorities support the use of the toxic equivalency factor (TEF)-scheme derived from a heterogeneous data set of the relative effect potency (REPs) estimates. ObjectivesWe sought to determine REPs for dioxin-like compounds (DLCs) using expression of cytochrome P450 (CYP) 1A1 and 1B1 mRNA in human peripheral blood mononuclear cells representing two different pathways. MethodsWe used a sex and age adjusted regression-based approach comparing the strength of association between each DLC and the cytochrome P450 (CYP) 1A1 and 1B1 mRNA expression in 320 adults residing in an organochlorine-polluted area of eastern Slovakia. ResultsWe calculated REPs based on CYP1A1 expression for 4 PCDDs, 8 PCDFs, and 1 PCB congener, and based on CYP1B1 expression for 5 PCDFs and 11 PCB congeners. REPs from CYP1A1 correlated with REPs previously derived from thyroid volume (ρ=0.85; p<0.001) and serum FT4 (ρ=0.77; p=0.009). The 13 log REPs from CYP1A1 correlated with log WHO-TEFs (r=0.63; p=0.015) and 11 log PCB REPs with PCB consensus toxicity factors (CTFs) for compounds with WHO-TEFs (r=0.80; p=0.003). The complete set of derived 56 log REPs correlated with the log CTFs (r=0.77; p=0.001) and log WHO-TEFs (r=0.81; p<0.001). ConclusionsREPs calculated from thyroid and cytochrome P450 endpoints realistically reflect human exposure scenarios because they are based on human chronic and low-dose exposures. While the CYP 1A1 seems more suitable for toxicity evaluation of PCDD/Fs, the CYP 1B1 is more apt for PCDFs and PCBs and reflects different pathways.

Identification and determination of the contribution of iron-steel manufacturing industry to sediment-associated polycyclic aromatic hydrocarbons (PAHs) in a large shallow lake of eastern China.

Seventeen polycyclic aromatic hydrocarbon (PAH) compounds were determined in surface sediments collected from the Chaohu Lake (a large shallow lake in eastern China) and its tributaries. Both diagnostic ratios and a receptor model (positive matrix factorization, PMF) were applied to identify and determine the contribution of a local iron-steel manufacturing plant located in the Nanfei River (NFR) to the Chaohu Lake basin. The results show that sites located in the downstream of the steel plant contained concentrations of 17 PAH (Σ17PAH) approximately two orders of magnitudes higher than those from other sites. Five factors were identified by the PMF model, including industrial waste, wood/biomass burning, diagenetic origin, domestic coal combustion, and industrial combustion. Our findings suggest that sediments in the downstream of the plant and in the western part of the Chaohu Lake were predominantly affected by industrial coal combustion. A mixture of pyrolytic origins impacted urban sediments in the upstream of the plant, whereas diagenetic origins along with coal and biomass burning were suggested to influence the eastern part and rural tributaries of the lake. To assess the potential ecological risk and toxicity caused by the iron-steel plant, sediment toxicity was evaluated by the PMF model, sediment quality guideline, and toxic equivalent factors. All of the three approaches suggested PAH accumulation in the NFR sediments could produce significant adverse ecological effects and half of the sediment toxicity in the NFR may be attributed to the emissions from the iron-steel plant. Some rural locations also exhibited PAH concentrations above probable effects, most likely contributed by wood/biomass burning.

Comparative chronic toxicity of imidacloprid, clothianidin, and thiamethoxam to Chironomus dilutus and estimation of toxic equivalency factors.

Nontarget aquatic insects are susceptible to chronic neonicotinoid insecticide exposure during the early stages of development from repeated runoff events and prolonged persistence of these chemicals. Investigations on the chronic toxicity of neonicotinoids to aquatic invertebrates have been limited to a few species and under different laboratory conditions that often preclude direct comparisons of the relative toxicity of different compounds. In the present study, full life-cycle toxicity tests using Chironomus dilutus were performed to compare the toxicity of 3 commonly used neonicotinoids: imidacloprid, clothianidin, and thiamethoxam. Test conditions followed a static-renewal exposure protocol in which lethal and sublethal endpoints were assessed on days 14 and 40. Reduced emergence success, advanced emergence timing, and male-biased sex ratios were sensitive responses to low-level neonicotinoid exposure. The 14-d median lethal concentrations for imidacloprid, clothianidin, and thiamethoxam were 1.52 μg/L, 2.41 μg/L, and 23.60 μg/L, respectively. The 40-d median effect concentrations (emergence) for imidacloprid, clothianidin, and thiamethoxam were 0.39 μg/L, 0.28 μg/L, and 4.13 μg/L, respectively. Toxic equivalence relative to imidacloprid was estimated through a 3-point response average of equivalencies calculated at 20%, 50%, and 90% lethal and effect concentrations. Relative to imidacloprid (toxic equivalency factor [TEF] = 1.0), chronic (lethality) 14-d TEFs for clothianidin and thiamethoxam were 1.05 and 0.14, respectively, and chronic (emergence inhibition) 40-d TEFs were 1.62 and 0.11, respectively. These population-relevant endpoints and TEFs suggest that imidacloprid and clothianidin exert comparable chronic toxicity to C. dilutus, whereas thiamethoxam induced comparable effects only at concentrations an order of magnitude higher. However, the authors caution that under field conditions, thiamethoxam readily degrades to clothianidin, thereby likely enhancing toxicity. Environ Toxicol Chem 2017;36:372-382. © 2016 SETAC.

Level and characteristics of polychlorinated dibenzo-p-dioxins and dibenzofurans in feed and feed additives

Feed security is a prerequisite for safe animal food products. In this study, 13 groups of feed and feed ingredients, totaling 2067 samples, were collected in the period of 2011 to 2014 from China. The highest mean level of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) was found in fish meals and shell powders, with a concentration of 60.35ng/kg, followed by mineral origin materials. In terms of the toxicity equivalent concentration, the fish oil group showed the highest PCDD/F levels because of their bio-accumulation through the aquatic food chain, with an average concentration of 1.26ng WHO-TEQ/kg, while the lowest level was observed in compound feed for chickens and pigs, with an average value of 0.16ng WHO-TEQ/kg. OCDD and OCDF were the predominant congeners in all groups except fish oils, in which the primary congeners were 2,3,4,7,8-PeCDF and 2,3,7,8-TCDF. For zinc chloride samples, different from other zinc-based compound samples, the main congeners were 1,2,3,4,6,7,8-HpCDF (17%), 1,2,3,4,7,8,9-HpCDF (15%), 1,2,3,4,7,8-HxCDF (12%) and OCDF (30%). Considering toxicity equivalency factors, the dominant congeners were 2,3,4,7,8-PeCDF, 1, 2,3,4,7,8-HxCDF, 2,3,7,8-TCDF and 1,2,3,7,8-PeCDD, and the contribution to the total TEQ was 29%, 16%, 14% and 12%, respectively. Overall, 2.1% (43 out of 2067) of all the analyzed samples exceeded the different individual 'European Union maximum limited levels for PCDD/Fs. This study is beneficial for the determination of the status of contamination levels of feed and feed ingredients.

Particle- and gas-phase PAHs toxicity equivalency quantity emitted by a non-road diesel engine with non-thermal plasma technology.

Polycyclic aromatic hydrocarbon (PAH) toxicity equivalency quantity (TEQ, denoted by benzo(a)pyrene equivalent (BaPeq) concentration) is more meaningful when evaluating the influence of non-road diesel engines PAH toxicity on environment. Particle- and gas-phase PAH BaPeq concentrations were calculated based on gas chromatography-mass spectrometer (GC-MS) results and toxic equivalency factors. A non-thermal plasma (NTP) reactor was applied to a non-road diesel engine to decrease PAH TEQ content. Only the gas-phase Nap BaPeq concentration increased slightly with the action of NTP at three different generator power outputs. BaP dominated the BaPeq concentration for 15 samples with, and without NTP except in the gas-phase at 4kW. Almost all medium molecular weight (MMW) and high molecular weight (HMW) PAH TEQs increased for particle- and gas-phases at 3kW power output compared to 2kW without the use of NTP. Particle-phase Nap, Acp, and AcPy (low molecular weight, LMW) TEQ were under detection at 3 and 4kW, while gas-phase BkF, IND, DBA, and BghiP (HMW) concentrations were below the limits of detection. The most abundant PAH TEQ compounds were MMW and HMW PAHs for gas- and particle-phase while they were BaA, CHR, BbF, BaP, and IND for PM aggregation. The total BaPeq emission factors were 15.1, 141.4, and 46.5μgm(-3) at three engine loads, respectively. Significant BaPeq concentration percentage reduction was obtained (more than 80 and 60%) with the use of NTP for particle- and gas-phases. A high TEQ content was observed for PM aggregation (38.8, 98.4, and 50.0μgkg(-1)) which may have caused secondary PAH toxicity emissions. With the action of NTP, the breakup of MMW and HMW into LMW PAHs led to reduction of some PAH concentrations.

Levels, sources, and health risk assessment of polycyclic aromatic hydrocarbons in Brno, Czech Republic: a 5-year study.

This work aimed to determine the seasonal variations of polycyclic aromatic hydrocarbons (PAHs) in airborne PM10 at two background sites (Masná-MS, Líšeň-LN) in Brno over a 5-year period (2009-2013). Samples were collected on quartz filters using a low-volume sampler by continual filtration. Concentrations of PAHs in collected PM10 samples were determined using a gas chromatography with a mass spectrometer as a detector. A different number of PAHs were determined to be at each site, i.e., 11 PAHs at the MS site and six PAHs at the LN site, and similarities between them were identified using non-parametric analysis of variance. Potential sources were identified using principal component analysis (PCA) and PAHs diagnostic ratios. The work also focused on health risk assessment. This was estimated using toxic equivalent factors to calculate individual lifetime cancer risk, which quantifies risk of exposure to PAHs for specific age groups. The average 11-PAH concentrations in M|S site annually ranged from 19.28±19.02ngm-3 (2011) to 40.37±21.35ngm-3 (2013). With regard to the LN site, the average six-PAH concentrations annually ranged from 3.64±3.87ngm-3 (2009) and 5.27±6.19ngm-3 (2012). PCA and diagnostic ratios indicate the main sources to be traffic emissions and coal combustion. Health risk assessment showed carcinogenic risk under limit value in all cases.

Assessing the inhalation cancer risk of particulate matter bound polycyclic aromatic hydrocarbons (PAHs) for the elderly in a retirement community of a mega city in North China.

Assessment of the health risks resulting from exposure to ambient polycyclic aromatic hydrocarbons (PAHs) is limited by the lack of environmental exposure data among different subpopulations. To assess the exposure cancer risk of particulate carcinogenic polycyclic aromatic hydrocarbon pollution for the elderly, this study conducted a personal exposure measurement campaign for particulate PAHs in a community of Tianjin, a city in northern China. Personal exposure samples were collected from the elderly in non-heating (August-September, 2009) and heating periods (November-December, 2009), and 12 PAHs individuals were analyzed for risk estimation. Questionnaire and time-activity log were also recorded for each person. The probabilistic risk assessment model was integrated with Toxic Equivalent Factors (TEFs). Considering that the estimation of the applied dose for a given air pollutant is dependent on the inhalation rate, the inhalation rate from both EPA exposure factor book was applied to calculate the carcinogenic risk in this study. Monte Carlo simulation was used as a probabilistic risk assessment model, and risk simulation results indicated that the inhalation-ILCR values for both male and female subjects followed a lognormal distribution with a mean of 4.81 × 10-6 and 4.57 × 10-6, respectively. Furthermore, the 95% probability lung cancer risks were greater than the USEPA acceptable level of 10-6 for both men and women through the inhalation route, revealing that exposure to PAHs posed an unacceptable potential cancer risk for the elderly in this study. As a result, some measures should be taken to reduce PAHs pollution and the exposure level to decrease the cancer risk for the general population, especially for the elderly.

RETRACTED: Size distribution and sources of 37 toxic species of particulate polycyclic aromatic hydrocarbons during summer and winter in Baoshan suburban area of Shanghai, China

The objectives of this study were to assess the size-segregated distribution and sources of 37 different species of particulate polycyclic aromatic hydrocarbons (PAHs) in a suburban area of Shanghai metropolitan City, China. The ambient particulate sampling was carried out on the rooftop of a five-stories building in Baoshan campus of Shanghai University. An Andersen high-volume air sampler was employed to collect ambient size-segregated particulate matter during summer of August to September and winter of November to December 2015. The high toxic PAHs were determined by a gas chromatography mass spectrometry. The concentrations of total PAHs in suspended particulate matter (SPM) and PM1.1 (suspended particulate matter below 1.1μm in diameter) in the suburban area of Shanghai were 4.58-14.5ng/m(3) and 1.82-8.56ng/m(3), respectively in summer, and 43.6-160ng/m(3) and 23.2-121ng/m(3), separately in winter. 1,8-Naphthalic anhydride (1,8-NA) showed the highest concentration among 37 different species of PAHs in the suburban area of Shanghai. The concentrations of high molecular PAHs (e.g. 5-6 ring PAHs) followed a nearly unimodal size distribution with the highest peaks in PM1.1. The diagnostic ration qualitatively indicated that PAHs in SPM of Shanghai were mainly derived from motor-vehicle or petroleum combustion in summer and from coal and biomass combustion in winter. According to the calculated toxicity equivalency factors based on the methods of Nisbet and Lagoy and the potency equivalency factors (PEF) recommended by U.S. EPA, the highest contributors in the total carcinogenicity of the PAHs in SPM and PM1.1 were dibenzo[a,h]pyrene (46.2% and 45.0% in summer), benzo[a]pyrene (44.4% and 43.8% in winter) and benz[j]aceanthrylene (80.2% and 83.1% in summer and 83.1% and 84.0% in winter), respectively. Therefore, benzo[a]pyrene seemed to be a lower contributor than other carcinogenic PAHs.

Polycyclic aromatic hydrocarbons in biomass-burning emissions and their contribution to light absorption and aerosol toxicity

In recent years, brown carbon (BrC) has been shown to be an important contributor to light absorption by biomass-burning atmospheric aerosols in the blue and near-ultraviolet (UV) part of the solar spectrum. Emission factors and optical properties of 113 polycyclic aromatic hydrocarbons (PAHs) were determined for combustion of five globally important fuels: Alaskan, Siberian, and Florida swamp peat, cheatgrass (Bromus tectorum), and ponderosa pine (Pinus ponderosa) needles. The emission factors of total analyzed PAHs were between 1.9±0.43.0±0.6 and 9.6±1.2–42.2±5.4mgPAHkg−1fuel for particle- and gas phase, respectively. Spectrophotometric analysis of the identified PAHs showed that perinaphthenone, methylpyrenes, and pyrene contributed the most to the total PAH light absorption with 17.2%, 3.3 to 10.5%, and 7.6% of the total particle-phase PAH absorptivity averaged over analyzed emissions from the fuels. In the gas phase, the top three PAH contributors to BrC were acenaphthylene (32.6%), anthracene (8.2%), and 2,4,5-trimethylnaphthalene (8.0%). Overall, the identified PAHs were responsible for 0.087–0.16% (0.13% on average) and 0.033–0.15% (0.11% on average) of the total light absorption by dichloromethane-acetone extracts of particle and gas emissions, respectively. Toxic equivalency factor (TEF) analysis of 16 PAHs prioritized by the United States Environmental Protection Agency (EPA) showed that benzo(a)pyrene contributed the most to the PAH carcinogenic potency of particle phase emissions (61.8–67.4% to the total carcinogenic potency of Σ16EPA PAHs), while naphthalene played the major role in carcinogenicity of the gas phase PAHs in the biomass-burning emission analyzed here (35.4–46.0% to the total carcinogenic potency of Σ16EPA PAHs). The 16 EPA-prioritized PAHs contributed only 22.1±6.2% to total particle and 23.4±11% to total gas phase PAH mass, thus toxic properties of biomass-burning PAH emissions are most likely underestimated.

Modeling the emetic potencies of food-borne trichothecenes by benchmark dose methodology

Trichothecene mycotoxins commonly co-contaminate cereal products. They cause immunosuppression, anorexia, and emesis in multiple species. Dietary exposure to such toxins often occurs in mixtures. Hence, if it were possible to determine their relative toxicities and assign toxic equivalency factors (TEFs) to each trichothecene, risk management and regulation of these mycotoxins could become more comprehensive and simple. We used a mink emesis model to compare the toxicities of deoxynivalenol, 3-acetyldeoxynivalenol, 15-acetyldeoxynivalenol, nivalenol, fusarenon-X, HT-2 toxin, and T-2 toxin. These toxins were administered to mink via gavage and intraperitoneal injection. The United States Environmental Protection Agency (EPA) benchmark dose software was used to determine benchmark doses for each trichothecene. The relative potencies of each of these toxins were calculated as the ratios of their benchmark doses to that of DON. Our results showed that mink were more sensitive to orally administered toxins than to toxins administered by IP. T-2 and HT-2 toxins caused the greatest emetic responses, followed by FX, and then by DON, its acetylated derivatives, and NIV. Although these results provide key information on comparative toxicities, there is still a need for more animal based studies focusing on various endpoints and combined effects of trichothecenes before TEFs can be established.

Polycyclic aromatic hydrocarbons (PAHs) in coastal sediments from urban and industrial areas of Asaluyeh Harbor, Iran: distribution, potential source and ecological risk assessment.

The distribution and toxicity levels of 16 EPA priority pollutant polycyclic aromatic hydrocarbons (PAHs) in the sediments of Asaluyeh shore, Iran were investigated. The total concentrations of the PAHs in surface sediments ranged from 1,054 to 17,448 ng/g dry weights with a mean concentration of 8,067 ng/g. The spatial distribution of PAHs showed that PAH levels are much higher in the industrial areas in comparison with urban areas. Based on diagnostic ratios, pyrogenic activities were dominant sources of PAHs pollution in sediments comparing petroleum sources. The toxic equivalent concentrations (TEQ Carc) of PAHs ranged from 172 to 2,235 ng TEQ/g with mean value of 997.9. Toxicity levels were evaluated using sediment quality guidelines (SQGs) and toxic equivalent factors. Samples were collected from industrial and urban stations in Asaluyeh shores. According to SQGs, ΣPAHs concentrations in sediments of urban areas were below the ERL (effects range low), but the industrial samples had ΣPAHs concentrations between ERL and ERM (effects range median). Furthermore, ΣHPAHs (heavy PAHs) and some individual PAHs in some industrial stations exceeded ERM, indicating adverse ecological risk effects frequently occur. Findings demonstrate that the surface sediment from Asaluyeh shore is highly to very highly contaminated with PAHs.

Generalized Concentration Addition Modeling Predicts Mixture Effects of Environmental PPARγ Agonists.

The vast array of potential environmental toxicant combinations necessitates the development of efficient strategies for predicting toxic effects of mixtures. Current practices emphasize the use of concentration addition to predict joint effects of endocrine disrupting chemicals in coexposures. Generalized concentration addition (GCA) is one such method for predicting joint effects of coexposures to chemicals and has the advantage of allowing for mixture components to have differences in efficacy (ie, dose-response curve maxima). Peroxisome proliferator-activated receptor gamma (PPARγ) is a nuclear receptor that plays a central role in regulating lipid homeostasis, insulin sensitivity, and bone quality and is the target of an increasing number of environmental toxicants. Here, we tested the applicability of GCA in predicting mixture effects of therapeutic (rosiglitazone and nonthiazolidinedione partial agonist) and environmental PPARγ ligands (phthalate compounds identified using EPA's ToxCast database). Transcriptional activation of human PPARγ1 by individual compounds and mixtures was assessed using a peroxisome proliferator response element-driven luciferase reporter. Using individual dose-response parameters and GCA, we generated predictions of PPARγ activation by the mixtures, and we compared these predictions with the empirical data. At high concentrations, GCA provided a better estimation of the experimental response compared with 3 alternative models: toxic equivalency factor, effect summation and independent action. These alternatives provided reasonable fits to the data at low concentrations in this system. These experiments support the implementation of GCA in mixtures analysis with endocrine disrupting compounds and establish PPARγ as an important target for further studies of chemical mixtures.

Novel full logistic model for estimation of the estrogenic activity of chemical mixtures

Estrogenic compounds as well as other biologically active substances are commonly present in the form of complex mixtures in the environment. There is still no satisfactory model that would be capable of predicting the toxic effects of mixtures containing partial receptor agonists and compounds with different parameters of their dose-response curves. Therefore, a novel Full Logistic Model (FLM) of prediction using all the parameters of dose-response curves has been suggested and compared with previously published approaches. We tested the receptor-binding activities of selected estrogens including full and partial agonists and their mixtures using yeast reporter gene assays and the human T47D cell line. Combination effects were modeled with FLM and predicted curves were compared with the data obtained experimentally. FLM yielded a good fit to the experimental data from both the receptor-binding assays and gave better predictions than the previously published approaches. FLM also provided satisfactory results regarding final partial agonistic dose-response curves with maximum influenced by the inhibitory effect of the partial agonist. FLM is not limited by any simplification like the toxic equivalency factor approach or generalized concentration addition and therefore it could be employed for mixtures containing chemicals with different parameters of their dose-response curves (maximum, minimum, inflex point or slope).

One-year study of polycyclic aromatic compounds at an urban site in Grenoble (France): Seasonal variations, gas/particle partitioning and cancer risk estimation

21 PAHs, 27 oxy-PAHs and 32 nitro-PAHs were measured every third day over a year in both gaseous (G) and particulate PM10 (P) phases in ambient air of Grenoble (France). Mean total concentrations (G+P) of PAHs and oxy-PAHs were in the same range and about 10ngm−3. Nitro-PAHs were 50 to 100 times less concentrated averaging 100pgm−3. Polycyclic aromatic compound (PAC) concentrations were 5 to 7 times higher in “cold” period (October to March) than in “warm” period (April to September). Seasonal variations may be explained by higher primary emissions from residential heating, especially biomass burning in “cold” season. Meteorological conditions and influence of the geomorphology around Grenoble, with the formation of thermal inversion layers leading to the stagnation of pollutants, were additional key parameters. Maximum individual PAC concentrations were observed during two PM10 pollution events in December and February–March. Chemical processes and secondary formation of oxy- and nitro-PAH were probably enhanced by the accumulation of the pollutants during these events. PAC gas/particle partitioning depended on compound molecular weight and vapour pressure. Gas/particle partitioning of oxy- and nitro-PAHs were evaluated using a multi-phase poly-parameter linear free energy relationship model. The PAC cancer risk was assessed using toxic equivalency factors available in the literature (19 PAHs, 10 nitro-PAHs and 1 oxy-PAH). Overall, particle-bound PACs contributed about 76% of the cancer risk. While PAHs accounted for most of the total PAC cancer risk, oxy- and nitro-PAHs could account for up to 24%. The risk quantification across substance classes is limited by toxicological data availability.

Polycyclic aromatic hydrocarbons (PAHs) in water from three estuaries of China: Distribution, seasonal variations and ecological risk assessment

The distribution, seasonal variations and ecological risk assessment of polycyclic aromatic hydrocarbons (PAHs) in water from three estuaries in Hai River Basin of China, which has been suffering from different anthropogenic pressures, were investigated. In three estuaries, the average concentration of ΣPAHs was the lowest in Luan River estuary, followed by Hai River estuary, and the highest in Zhangweixin River estuary. There were significant seasonal variations in ΣPAHs, the concentrations of ΣPAHs were higher in November than in May and August. The composition profiles of PAHs in different sites were significantly different, and illustrated seasonal variations. Generally, 2-ring (Nap) and 3-ring PAHs (Acp, Fl and Phe) were the most abundant components at most sampling sites in three estuaries. The PAHs in three estuaries were mainly originated from pyrogenic sources. A method based on toxic equivalency factors (TEFs) and risk quotient (RQ) was proposed to assess the ecological risk of ΣPAHs, with the ecological risk of individual PAHs being considered separately. The results showed that the ecological risks caused by ΣPAHs were high in Hai River estuary and Zhangweixin River estuary, and moderate in Luan River estuary. The mean values of ecological risk in August were lower than those in November. The contributions of individual PAHs to ecological risk were different in May, August and November. 3-ring and 4-ring PAHs accounted for much more ecological risk than 2-ring, 5-ring and 6-ring, although the contributions of 5-ring and 6-ring to ecological risk were higher than these to PAHs concentrations.