Chemicals Of Environmental Concern Research Articles

Comparison of in vitro membrane permeabilities of diverse environmental chemicals with in silico predictions

The parallel artificial membrane permeability assay (PAMPA) is widely used for estimating biomembrane permeabilities of experimental drugs in pharmaceutical research. However, there are few reports of studies using PAMPA to measure membrane permeabilities of chemicals of environmental concern (CECs) outside the pharmaceutical domain, many of which differ substantially from drugs in their physicochemical properties. We applied PAMPA methods simulating gastrointestinal (PAMPA-GIT) and blood-brain barrier (PAMPA-BBB) membranes under consistent conditions to 51 CECs, including some pharmaceuticals. A backward stepwise multivariate linear regression was implemented to explore the correlation between the differences of measured permeabilities from PAMPA-GIT and PAMPA-BBB and Abraham solute descriptors. In addition, a previously reported in silico model was evaluated by comparing predicted and measured permeability results. PAMPA-GIT and PAMPA-BBB experimental permeability results agreed relatively well. The backward stepwise multivariate linear regression identified excess molar refraction and polarizability to be significant at the 0.10 level in predicting the differences between PAMPA-GIT and PAMPA-BBB. The in silico model performed well – with predicted permeability of most compounds within two-fold of experimentally measured values. We found that CECs pose experimental challenges to the PAMPA method in terms of having lower solubility and lower stability compared to most drugs.

Comparing Transcriptomic Responses to Chemicals Across Six Species Using the EcoToxChip RNASeq Database.

The EcoToxChip project includes RNA-sequencing data from experiments involving model (Japanese quail, fathead minnow, African clawed frog) and ecological (double-crested cormorant, rainbow trout, northern leopard frog) species at multiple life stages (whole embryo and adult) exposed to eight chemicals of environmental concern known to perturb a wide range of biological systems (ethinyl estradiol, hexabromocyclododecane, lead, selenomethionine, 17β trenbolone, chlorpyrifos, fluoxetine, and benzo[a]pyrene). The objectives of this short communication were to (1) present and make available this RNA-sequencing database (i.e., 724 samples from 49 experiments) under the FAIR principles (FAIR data are data which meet principles of findability, accessibility, interoperability, and reusability), while also summarizing key meta-data attributes and (2) use ExpressAnalyst (including the Seq2Fun algorithm and EcoOmicsDB) to perform a comparative transcriptomics analysis of this database focusing on baseline and differential transcriptomic changes across species-life stage-chemical combinations. The database is available in NCBI GEO under accession number GSE239776. Across all species, the number of raw reads per sample ranged between 13 and 58 million, with 30% to 79% of clean reads mapped to the "vertebrate" subgroup database in EcoOmicsDB. Principal component analyses of the reads illustrated separation across the three taxonomic groups as well as some between tissue types. The most common differentially expressed gene was CYP1A1 followed by CTSE, FAM20CL, MYC, ST1S3, RIPK4, VTG1, and VIT2. The most common enriched pathways were metabolic pathways, biosynthesis of cofactors and biosynthesis of secondary metabolites, and chemical carcinogenesis, drug metabolism, and metabolism of xenobiotics by cytochrome P450. The RNA-sequencing database in the present study may be used by the research community for multiple purposes, including, for example, cross-species investigations, in-depth analyses of a particular test compound, and transcriptomic meta-analyses. Environ Toxicol Chem 2024;00:1-6. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.

Computational Risk Assessment of Persistence, Bioaccumulation, and Toxicity of Novel Flame-Retardant Chemicals.

Novel brominated flame retardants (NBFRs) have emerged as chemicals of environmental concern, as they have been widely used as an alternative to polybrominated diphenyl ethers (PBDEs). Considering the similar structural features of NBFRs and PBDEs necessitates a comprehensive investigation to understand the physicochemical relationships of these compounds and their ability to alter biological functions. In this study, we investigated the persistent nature of NBFRs in terms of thyroid-disrupting potential by understanding the structure-stability aspects using density functional theory (DFT)-based reactivity parameters and interactions via molecular docking and molecular dynamics (MD) simulations. The results indicate that the DFT-based stability descriptor (chemical hardness) is associated with the persistent nature of NBFRs. The computed molecular interaction profile revealed prominent interactions between thyroid receptor-β (TR-β) and NBFRs. Stable trajectory and interactions with TR-β were obtained with ATE, p-TBX, PBT, PBEB, and TBBPA-DBPE during 100 ns of MD simulation. The results of these studies have suggested that the presence of a higher number of halogenated atoms increases the stability vis-à-vis the persistence and endocrine disruption potential of NBFRs.

Tox21-Based Comparative Analyses for the Identification of Potential Toxic Effects of Environmental Pollutants.

Chemical pollution has become a prominent environmental problem. In recent years, quantitative high-throughput screening (qHTS) assays have been developed for the fast assessment of chemicals' toxic effects. Toxicology in the 21st Century (Tox21) is a well-known and continuously developing qHTS project. Recent reports utilizing Tox21 data have mainly focused on setting up mathematical models for in vivo toxicity predictions, with less attention to intuitive qHTS data visualization. In this study, we attempted to reveal and summarize the toxic effects of environmental pollutants by analyzing and visualizing Tox21 qHTS data. Via PubMed text mining, toxicity/structure clustering, and manual classification, we detected a total of 158 chemicals of environmental concern (COECs) from the Tox21 library that we classified into 13 COEC groups based on structure and activity similarities. By visualizing these COEC groups' bioactivities, we demonstrated that COECs frequently displayed androgen and progesterone antagonistic effects, xenobiotic receptor agonistic roles, and mitochondrial toxicity. We also revealed many other potential targets of the 13 COEC groups, which were not well illustrated yet, and that current Tox21 assays may not correctly classify known teratogens. In conclusion, we provide a feasible method to intuitively understand qHTS data.

A consensus-based approach for the development of Site-specific Sediment Quality Values in an SW Atlantic region (São Paulo State, Brazil)

Sediment quality guidelines (SQGs) or sediment quality values (SQVs) are important tools for identifying areas of interest and chemicals of environmental concern in contaminated sites, assisting in the monitoring and management processes. The Brazilian coastline has a continental-scale, but the country has adopted international guidelines, which do not correspond to the country's specificities, thus requiring the development of regional thresholds. In this study, site-specific SQVs were developed for the coast of São Paulo, the most occupied and industrialized State of Brazil, by using a consensus-based approach. Data on sediment chemistry and toxicity were compiled from 20 studies covering a 20-year period. A Biological Effects Database for Sediments (BEDS) was constructed and threshold levels were produced for toxic effects on the burrowing amphipod Tiburonella viscana in whole sediment exposures. Another set of thresholds was derived by a multivariate approach obtained from a subset of samples of BEDS. Then, geochemical tools were used to calibrate values and a definitive set of SQVs was proposed for trace elements, and total polycyclic aromatic hydrocarbons. Therefore, toxicity is expected to occur at 8.1 and 0.2 µg g–1 for As and Hg respectively, and from 0.4 to 0.8 µg g–1 for Cd, 24.9 to 17.6 µg g–1 for Cr, 10.8 to 14.6 µg g–1 for Ni, 6.7 to 16.6 µg g–1 for Pb, 52.6 to 190.2 µg g–1 for Zn, and 182.6 to 1138.6 ng g–1 for the sum of PAHs. The predictive performance of SQVs was more effective than the international guidelines, including those applied in Brazil for dredged material. Therefore, the site-specific SQVs produced in this study can be employed as a benchmark of environmental quality standards for monitoring purposes of coastal and marine environments in Brazil.

Reflections about three influential Ambio articles impacting environmental biogeochemistry research and knowledge : This article belongs to Ambio's 50th Anniversary Collection. Theme: Environmental contaminants.

Reflections about three influential environmental contaminants papers published in Ambio are presented. The PCB Story by Jensen in (1972) had a very important influence on environmental chemistry. This is captured by way of comments and personal anecdotes. Wania's and MacKay's (1993) paper highlights the physical chemistry underlying transport of PCBs and organochlorine pesticides from temperate zone ecosystems to Polar Regions. Their paper exemplifies how principles of chemistry and environmental processes informed understanding the biogeochemical cycles of chemicals of environmental concern (CEC). Mergler et al.'s (2007) paper reviews knowledge of methyl mercury exposure and impacts in humans and served as an example of how to approach exposure and human health concerns for all CECs. All great progress. Then, the question: "How we missed for two decades the importance of plastics in the environment identified in a paper published the same year as The PCB Story? Are we missing yet another important environmental contaminant now?

Assessment of the organotin pollution in the coastal sediments of the Western Arabian Gulf, Saudi Arabia

Organotin compounds (OTCs) are persistent pollutants and are considered as chemicals of environmental concern. They enter the marine environment from the antifouling paints containing organotin compounds on the hulls of ships and boats. We report the results of a study conducted in 2015 on the level of butyltins (TBT, DBT, and MBT) and phenyltins (TPhT, DPhT, and MPhT) in the sediments collected from three fishing harbors (Jubail, Khobar, and Qatif) and a reference site (Half Moon Bay). The concentrations of OTCs in the sediments vary widely among the different sampling locations. Overall, the phenyltins contribute more than the butyltins and the order of the abundance is: MPhT > DPhT > MBT > DBT > TPhT. In most stations, the concentrations of MBT are higher than DBT. The sediments from Khobar and Qatif are moderately polluted, whereas those from the Jubail are ranked as highly polluted. The concentrations of TBT at all study sites are less than the detection limit, and hence, the environmental and ecotoxicological risks are low.

Edward D. Goldberg's proposal of “the Mussel Watch”: Reflections after 40 years

We chronicle the extensive influence over the past forty years of Professor Edward D. Goldberg and his call in 1975 for a “Mussel Watch” or bivalve sentinel organism approach to assess geographic status and temporal trends of several chemicals of environmental concern in the coastal ocean. Examples of local, regional, national and international programs are discussed briefly as are examples of interesting useful findings and limitations to the Mussel Watch concept. Mussel Watch continues to provide useful data about status and trends of chemical contamination in coastal ecosystems.

Effects of selected xenobiotics on hepatic and plasmatic biomarkers in juveniles of Solea senegalensis

In recent years, Solea senegalensis has increasingly been used in pollution monitoring studies. In order to assess its response to some particular widespread pollutants, juveniles of S. senegalensis were administered an intraperitoneal injection of the model aryl hydrocarbon receptor agonist β-naphtoflavone (βNF) and chemicals of environmental concern, such as the fungicide ketoconazole (KETO), the lipid regulator gemfibrozil (GEM), the surfactant nonylphenol (NP) and the synthetic hormone ethinylestradiol (EE2). Two days after injection, the effect of these chemicals was followed up as alterations of hepatic microsomal activities of the cytochrome P450 (CYPs) and associated reductases, carboxylesterases (CbEs) and the conjugation enzyme uridine diphosphate glucuronyltransferase (UDPGT). In the cytosolic fraction of the liver, the effect on CbEs, glutathione S-transferase (GST) and antioxidant activities was also considered. Alterations on the endocrine reproductive system were evaluated by plasma levels of vitellogenin (VTG) and the sex steroids estradiol (E2), testosterone (T), 11-ketotestosterone (11KT) and the progestin 17α,20β-dihydroxy-4-pregnen-3-one (17,20β-P). Injection with the model compound βNF induced the hydrolysis rate of the seven CYP substrates assayed. The xenobiotic GEM induced three CYP-related activities (e.g. ECOD) and UDPGT, but depressed antioxidant defenses. EE2 induced four CYPs, more significantly ECOD and BFCOD activities. The xenoestrogens NP and EE2 altered the activities of CbE in microsomes and catalase, and were the only treatments that induced de novo VTG synthesis. In addition, the progestin 17,20β-P, was induced in NP-injected fish. None of the treatments caused statistically significant effects on steroid plasma levels. In conclusion, the CYP substrates assayed responded specifically to treatments and juveniles of S. senegalensis appear good candidates for assessing xenobiotics exposure.

Organic Chemicals of Environmental Concern: Water Sampling and Analytical Challenges

Author Posting. © The Oceanography Society, 2014. This article is posted here by permission of The Oceanography Society for personal use, not for redistribution. The definitive version was published in Oceanography 27, no. 1 (2014): 214–216, doi:10.5670/oceanog.2014.24.

Increased proliferative effect of organochlorine compounds on human preadipocytes

Chlorinated persistent organic pollutants, commonly referred to as organochlorine compounds (OCs), are chemicals of environmental concern that were mostly used historically as pesticides, solvents, flame retardants, and other applications, though some still continue to be produced. OCs accumulate in adipose tissue because of their hydrophobicity. Evidence suggests that OCs modulate adipose tissue metabolism and could affect its development. At the cellular level, the development of adipose tissue is partly controlled by replication of preadipocytes, which may in turn be modulated by contaminants. The aim of this study was to determine whether exposure to specific OCs and to different concentrations, some mimecting those achieved in human tissues that are exposed to chemicals from the environment, affects human preadipocyte proliferation capacity. Human preadipocytes were exposed to various concentrations (3-500 μM) of highly prevalent OCs (PCBs 77, 153 and DDE) for 48 h. At the end of the exposure period, quantification of cell density was assessed by a cell proliferation ELISA assay. Preadipocyte proliferation significantly increased (~28-72%) in response to most of the concentrations of PCB 153 and DDE as compared to the control. These findings suggest that exposure to some OCs and concentrations increase the proliferative capacity of human preadipocytes.

Effects of agricultural pesticides on the immune system of Xenopus laevis and Rana pipiens

Over the last 30 years, there have been mass declines in diverse geographic locations among amphibian populations. Multiple causes have been suggested to explain this decline. Among these, environmental pollution is gaining attention. Indeed, some chemicals of environmental concern are known to alter the immune system. Given that amphibians are frequently exposed to agricultural pesticides, it is possible that these pollutants alter their immune system and render them more susceptible to different pathogens. In this study, we exposed two frog species, Xenopus laevis and Rana pipiens, for a short period of time to a mixture of pesticides (atrazine, metribuzine, endosulfan, lindane, aldicarb and dieldrin) representative in terms of composition and concentrations to what it is found in the environment of the southwest region of the province of Quebec. The pesticides were known to be present in surface water of many tributaries of the St. Lawrence River (Quebec, Canada). Our results demonstrate that the mixture of pesticides could alter the cellularity and phagocytic activity of X. laevis and the lymphocyte proliferation of R. pipiens. Taken together, these results indicate that agricultural pesticides can alter some aspects of the immune response in frogs and could contribute to their global decline by rendering them more susceptible to certain infections.

GUIDELINES FOR ANALYSIS OF HUMAN MILK FOR ENVIRONMENTAL CHEMICALS

When analyzing human milk for environmental chemicals, in either a monitoring or research project, researchers must ensure that the technique used for measuring the target analytes complies with certain analytical criteria and that a quality control/quality assurance program is in place. In this report, these analytical criteria and the accompanying quality assurance program are elaborated in more detail. Examples of representative methods are also given for the determination of a number of classes of chemicals of environmental concern, such as polychlorinated dibenzo- p -dioxins, polychlorinated dibenzofurans, polychlorinated biphenyls, volatile organics, and halogenated flame retardants. Most of these techniques are physical/chemical in nature, but the possibility of the use of bioassays for screening of analytes in human milk is noted. The described methods are not exclusive, but any laboratory undertaking the analysis of human milk should demonstrate proficiency in their execution. This is usually accomplished by producing reliable data in interlaboratory studies. Human milk is an ideal matrix for estimating exposure to certain environmental chemicals, and researchers must ensure that the techniques used to determine these compounds adhere to known and accepted analytical requirements.

Toxaphene, but Not Beryllium, Induces Human Neutrophil Chemotaxis and Apoptosis via Reactive Oxygen Species (ROS): Involvement of Caspases and ROS in the Degradation of Cytoskeletal Proteins

Chemicals of environmental concern are known to alter the immune system. Recent data indicate that some contaminants possess proinflammatory properties by activating neutrophils, an area of research that is still poorly investigated. We have previously documented that toxaphene activates human neutrophils to produce reactive oxygen species (ROS) and accelerates apoptosis by a yet unknown mechanism. In this study, we found that toxaphene induces another neutrophil function, chemotaxis. Furthermore, we found that toxaphene induces both chemotaxis and apoptosis via a ROS-dependent mechanism, since these responses were blocked by the addition of catalase to the culture. In addition, toxaphene was found to induce the degradation of the cytoskeletal proteins gelsolin, paxillin, and vimentin during apoptosis, and this was reversed by the addition of z-VAD-FMK (caspase inhibitor) or catalase, demonstrating the importance of caspases and ROS in this process. In contrast to toxaphene, we found that beryllium does not induce superoxide production, and, this correlates with its inability to induce chemotaxis and apoptosis. We conclude that toxaphene induces chemotaxis and apoptosis via ROS and that caspases and ROS are involved in the degradation of cytoskeletal proteins.

Interferences, limitations and an improvement in the extraction and assessment of cellulase activity in soil

A practical modification of areducing-sugar method to estimate soil (carboxymethyl) cellulase activity is described and used to compare three non-sterile soils. The original method involves the formation of a ferric-ferrocyanide complex in soil extracts prepared and exposed to substrate in 2 M acetate buffer. Because high acetate concentrations compromise this reaction, such extracts require considerable (e.g. 20–30-fold) dilution prior to activity determinations. For soils with low organic matter, such as one used in this study, undetectable activity often results. We used 67 mM acetate buffer and were able to detect and compare cellulase activities in three diverse soils using undiluted extracts. The values obtained were more reproducible, but in a different range from those of the original method. Our modification yielded activities that appeared to be unchanged over the extraction buffer concentration range of 11–140 mM acetate. The use of undiluted soil extracts prepared in less concentrated buffer simplifies and extends the practicality of the assay by: (a) reducing the importance of using matrix-matched standard curves; (b) requiring less sample manipulation and glassware, and (c) preventing the dilution to extinction of enzyme activity. It also improves the usefulness of the method as an indicator of ecological effects (biomass turnover) due to the introduction of nonindigenous microorganisms and chemicals of environmental concern. These factors make the method more competitive with other reducing-sugar assays used to measure cellulase activity in soil.

Chemicals of Environmental Concern: Is Academic Microbiology Relevant?

Chemicals of Environmental Concern: Is Academic Microbiology Relevant?

Induction in rainbow trout of an acute phase (C-reactive) protein by chemicals of environmental concern

1. Rainbow trout, Salmo gairdneri, produce elevated amounts of a serum acute phase (C-reactive) protein (CRP) when administered a variety of chemicals of environmental importance. 2. Compounds administered in doses which induce the cytochrome(s) P450 catalytic enzymes in trout hepatic microsomes also induce serum CRP. 3. However, an interferon-inducing virus does not induce CRP. Interferon induction by the virus is not significantly inhibited by chemicals which induce trout cytochrome(s) P450. 4. Simultaneous administration of chemicals and virus or virus alone results in depression of P450 protein production and only minor induction of CRP. 5. Thus, as with mammals, a reciprocating relationship appears to exist between the hemeprotein monooxygenase and immune systems of this freshwater teleost, and C-reactive protein appears to fit the reciprocating scheme closer to the cytochromes P450 response.

Alteration of induced cellular and humoral immune responses by pesticides and chemicals of environmental concern: Quantitative studies of immunosuppression by DDT, aroclor 1254, carbaryl, carbofuran, and methylparathion

Dose-dependent, immunosuppressive effects of continued dietary treatment of rabbits with DDT, Aroclor 1254, carbaryl, carbofuran, and methylparathion were studied. The animals were given a diet containing graded amounts of chemicals for 4 wk and challenged with sheep red blood cells and Freund's adjuvant. The testing followed for an additional 4 wk while the animals were maintained on the same diets as before. The most sensitive indication of immunosuppression was based on evaluation of lymphatic organs, primarily those dependent on thymus-derived lymphocytes. The chemical treatments resulted in a decreased count of plasma cells in popliteal lymph nodes (except with carbaryl), reduction of germinal centers in the spleen, and increasing atrophy of thymus cortex. These responses were generally scaled to increasing levels of the compounds tested. Hemolysin and hemagglutinin titers were not significantly affected by any of the chemical treatments nor were consistent trends observed. The antigen-induced increase in serum γ-globulin was consistently decreased with DDT, Aroclor, carbaryl, and carbofuran treatments, but only carbaryl produced significant changes (at 10 days postantigen). DDT groups showed significantly higher preantigen γ-globulin values which were less evident following antigen challenge. Skin sensitivity to tuberculin was decreased (except with carbaryl) but generally only at high dosages of the test chemicals. None of the compounds showed any effect on growth, food consumption, leucocyte count, or on organ to body weight ratios for liver, kidney, spleen, and adrenal, except for slight liver enlargement caused by Aroclor 1254.

Toxicology of PCBs for Mammals and for Birds

Toxicology of PCBs for Mammals and for Birds

Toxicology of PCBs for Mammals and for Birds

Toxicology of PCBs for Mammals and for Birds