US Environmental Protection Agency Research Articles

Enabling high-performance cloud computing for the Community Multiscale Air Quality Model (CMAQ) version 5.3.3: performance evaluation and benefits for the user community

Abstract. The Community Multiscale Air Quality Model (CMAQ) is a local- to hemispheric-scale numerical air quality modeling system developed by the U.S. Environmental Protection Agency (USEPA) and supported by the Community Modeling and Analysis System (CMAS) center. CMAQ is used for regulatory purposes by the USEPA program offices and state and local air agencies and is also widely used by the broader global research community to simulate and understand complex air quality processes and for computational environmental fate and transport and climate and health impact studies. Leveraging state-of-the-science cloud computing resources for high-performance computing (HPC) applications, CMAQ is now available as a fully tested, publicly available technology stack (HPC cluster and software stack) for two major cloud service providers (CSPs). Specifically, CMAQ configurations and supporting materials have been developed for use on their HPC clusters, including extensive online documentation, tutorials and guidelines to scale and optimize air quality simulations using their services. These resources allow modelers to rapidly bring together CMAQ, cloud-hosted datasets, and visualization and evaluation tools on ephemeral clusters that can be deployed quickly and reliably worldwide. Described here are considerations in CMAQ version 5.3.3 cloud use and the supported resources for each CSP, presented through a benchmark application suite that was developed as an example of a typical simulation for testing and verifying components of the modeling system. The outcomes of this effort are to provide findings from performing CMAQ simulations on the cloud using popular vendor-provided resources, to enable the user community to adapt this for their own needs, and to identify specific areas of potential optimization with respect to storage and compute architectures.

Removal of Arsenic from Contaminated Water by Polypyrrole-Based Adsorbents

Worldwide, there is growing concern over the toxicity of arsenic in drinking water. The US Environmental Protection Agency and Central Pollution Control Board (India) have set a safe limit of 50 parts per billion for arsenic in drinking water. Millions of people are at immediate risk due to high concentrations of arsenic in drinking water, particularly in developing nations where arsenic poisoning symptoms have been observed. One of the essential techniques described in this article is the absorption of arsenic from contaminated water by sustainable cellulosic materials like jute and wood sawdust after suitable modification. Jute and sawdust are cheap and abundantly available in South Asia. They are functionalized with polypyrrole coating by in situ chemical polymerization of pyrrole in aqueous medium in the presence of ferric chloride. Polypyrrole-coated jute fabric (with 11.28% polypyrrole add-on) and polypyrrole-coated sawdust (with 5.28% polypyrrole add-on) are found to be excellent adsorbers of arsenic ion (As3+) from water. The effect of dosage of polypyrrole-coated adsorbents, treatment time and pyrrole concentration on the As removal efficiency have been investigated in this work. The arsenic concentration in water is determined using a microwave plasma atomic emission spectrometer with the highest level of accuracy. Maximum As removal efficiency by the polypyrrole-coated sawdust and polypyrrole-coated jute fabric is found to be 80.90% and 97.3%, respectively, from a 50 mL, 7.5 parts per million As solution with a dosage of 1 g at neutral pH. The polypyrrole-coated jute and sawdust are characterized by Fourier-transform infrared spectroscopy to understand the chemical interaction between cellulose and polypyrrole molecules. The scanning electron microscope studies reveal a uniform coating of polypyrrole around the surface of jute fibre and sawdust particles. Thermo-gravimetric analysis shows good thermal stability of jute and sawdust after polypyrrole coating.

Assessment of Climate Change Mitigation Potential for Heating System in Kosovo

Objective: In this study is we have provided a prediction model for the improvement of heating system in Kosovo, following the implementation of an energy efficiency program, the consumption of energy commodities in heating system will decrease and the problem of deforestation will be mitigated. Theoretical Framework: We suppose a degree of reduction variable due to the renewable energy sources use, new technology options and energy efficiency toward GHG and air pollution reduction and policy initiative for District Heating in Kosovo. Method: For modelling impacts of the technology and policy options for reducing GHG and air pollution due to improvement of heating system in Kosovo, the model STELLA software has been used. Projection for emission factors and total annual emission for Air Pollutants and GHG (CO2) are calculated with US EPA methodology Results and Discussion: The resulting reductions of Air pollutants and greenhouse gas emissions by reducing the loss of heat and water and increasing the energy efficiency will have a direct and positive impact on the environment and climate change. Research Implications: Implementing the emission reduction policies EE, Renewable energy and introducing new technologies in heating system in Kosovo for the total emission of CO2, we will have reduction for about 20% (3.36 Mt CO2) in 2025 in comparison with (4.41 Mt CO2) in year 2015; also, we will have a significant reduction for other GHG. Originality/Value: This study contributes to the literature by impruvemment of heating system in Kosovo.

Assessment of groundwater quality, irrigation suitability, and health risks from radon and heavy metals near Ilokun dumpsite, Ado-Ekiti, Nigeria

ABSTRACT Concentrations of 222Rn and other toxic metals (Ni, Cu, Fe, Cd, Zn, Pb, Cr, and Mn) have been measured by alpha spectrometry using Rad7 and atomic absorption spectrophotometry, respectively, in the water samples taken around the Ilokun dumpsite, Ado-Ekiti, Nigeria. The physicochemical parameters of the groundwater were also assayed to determine its suitability for drinking and irrigation purposes. While the physicochemical parameters met the World Health Organization (WHO)-safety standards, Cu, Fe, Cd, Pb, Cr, and Mn exceeded the respective threshold limits. The hazard index (HI) values for adults (8.40) and children (39.23) indicated heightened susceptibility to non-carcinogenic health risks among both age group populations. The levels of 222Rn contents present in the studied samples range from 5.4 to 23.1 Bq l−1 with an average of 13.9 Bq l−1. Approximately 60% of the samples have radon concentrations above the US Environmental Protection Agency (EPA)-maximum contaminant level of 11.1 Bq l−1. The evaluated radiation doses to the stomach and respiratory tract due to radon content in the water are well below the WHO-specified individual dose criterion of 0.1 mSv year−1. The result of this study suggests a need for groundwater resource management strategies and measures to protect human health from radiological and toxicological risks associated with groundwater consumption around the Ilokun dumpsite.

Uncoupling as initiating event in mitochondrial dysfunction after diuron exposure

Diuron, a herbicide derived from urea, has been shown to induce urinary bladder urothelial tumors in rodents, leading the U.S. Environmental Protection Agency (USEPA) to designate it as a ‘known/likely’ human carcinogen. In our laboratory, a series of studies investigating the carcinogenic mode of action (MoA) of Diuron have consistently revealed its cytotoxic effects on the urinary bladder urothelium. Prolonged exposure to relatively high doses of Diuron results in urothelial necrosis, regenerative hyperplasia, and eventually, the development of tumors. The hypothesis posited is that Diuron and its metabolites exert toxicity by causing damage to mitochondria, a phenomenon referred to as mitotoxicity. Our research focuses on evaluating how Diuron and its metabolites affect mitochondria isolated from both the urothelium and the liver, the primary organ for Diuron biotransformation. In this context, we present and discuss data pertaining to mitochondria isolated from the liver of Wistar rats exposed to Diuron or its metabolites 3-(3,4-diclorofenil)-1-metilureia (DCPMU) or 3,4-dichloroaniline (DCA) at concentrations ranging from 0.5 to 500 µM in vitro. The findings indicate that, at concentrations of 100 and 500 µM, the tested chemicals induce uncoupling of oxidative phosphorylation, as evidenced by the dissipation of mitochondrial membrane potential and basal oxygen consumption. Notably, at 500 µM, DCA causes mitochondrial swelling, a morphofunctional indicator of severe organelle damage. These outcomes underscore the classification of Diuron and its metabolites, DCA and DCPMU, as mitotoxic to liver cells, given the pronounced mitochondrial dysfunction they induce.

Priority Organic Pollutant Monitoring Inventory and Relative Risk Reduction Potential for Solid Waste Incineration.

Incineration is a promising sustainable treatment method for solid waste. However, the ongoing revelation of new toxic pollutants in this process has become a controversial issue impeding its development. Thus, identifying and regulating high-risk pollutants emerge as pivotal strides toward reconciling this debate. In this study, we proposed a workflow aimed at establishing priority monitoring inventories for organic compounds emitted by industries involving full-component structural recognition, environmental behavior prediction, and emission risk assessment, specifically focusing on solid waste incineration (SWI). A total of 174 stack gas samples from 29 incinerators were first collected. Nontarget full organic recognition technology was then deployed to analyze these samples, and 646 organic compounds were identified. The characteristics, i.e., toxicity effects, toxicity concentrations, persistence, and bioaccumulation potential, of these compounds were assessed and ranked based on the TOXCAST database from the US Environmental Protection Agency and structural effect models. Combined with consideration of changes in seasons and waste types, a priority control inventory consisting of 28 organic pollutants was finally proposed. The risks associated with SWI across different regions in China and various countries were assessed, and results pinpointed that by controlling the priority pollutants, the average global emission risk attributed to SWI was anticipated to be reduced by 71.4%. These findings offer significant guidance for decision-making in industrial pollutant management, emphasizing the importance of targeted regulation and monitoring to enhance the sustainability and safety of incineration processes.

Extrapolation factors for calculating ecotoxicity effects in LCA

Abstract Purpose This study focuses on updating, improving, and expanding the extrapolation factors needed to convert various acute or chronic effect concentration indicators into consistent chronic EC10eq (effect concentration inducing a 10% response over background) for use in life cycle assessment (LCA). Our main objectives include (1) to present a detailed approach for the harmonization of ecotoxicity data, with a focus on deriving extrapolation factors, and (2) to estimate both generic and species group-specific extrapolation factors, facilitating the conversion of effect concentration indicator groups (EC10eq and EC50eq) into chronic EC10eq. Methods Experimental ecotoxicity data were sourced from CompTox Version 2.1.1, which integrates toxicity information from ToxValDB v9.1.1, and the information from REACH registration dossiers. We developed a framework for harmonizing ecotoxicity data, ensuring uniformity and high quality of aquatic ecotoxicity information from these sources. Through linear regression analysis, both generic and species group-specific extrapolation factors were then derived. Results and discussion Harmonization of ecotoxicity data yielded a streamlined dataset with 339,729 datapoints for 10,668 chemicals, reflecting a 54% reduction in raw datapoints. The geometric mean-based aggregation process produced 79,001 aggregated effect concentration datapoints at the species level, 41,303 at the species group level, and 23,215 at the effect concentration indicator level for these chemicals. This process facilitated the derivation of 3 generic and 24 species group-specific extrapolation factors, allowing for the conversion of effect concentration indicator groups (EC10eq and EC50eq) to a chronic EC10eq across two exposure classes (acute vs. chronic) and species groups, as defined in the US EPA ECOTOX knowledgebase, including algae, amphibians, fish, crustaceans, insects/spiders, invertebrates, molluscs, and worms. Conclusions The harmonization of ecotoxicity data and the derived extrapolation factors permit the integration of diverse datapoints with varying effect concentration indicators and exposure durations into USEtox ecotoxicity characterization factors. This has the potential to enhance substance coverage for characterizing ecotoxicity effects across chemicals in LCA frameworks by permitting wider species coverage. More generally, this is part of global efforts to extend the potential for quantitative assessment of environmental impacts of chemicals in an LCA framework.

Evaluating Health Risks Associated With Fluoride and Nitrate Contaminants in Drinking Water to Residents Living in the Chikkaballapur Taluk of Karnataka, India

ABSTRACTAddressing fluoride and nitrate contamination in groundwater is crucial for safeguarding public health. Fluoride contamination in groundwater can cause dental and skeletal fluorosis, along with potential neurotoxic effects. Nitrate contamination can lead to methemoglobinemia in infants and increase cancer risk due to the formation of nitrosamines. The major goal of this study was to examine groundwater quality in the Chickkaballapur urban (CBU) and Chikkaballapur rural (CBR) parts of the Chikkaballapur taluk (CBT), Karnataka, and to investigate the potential health hazards associated with the presence of fluoride and nitrate contaminants. Hazard quotient and total hazard index (THI) calculation methods, as suggested by the United States Environmental Protection Agency, were used in the present study to evaluate non‐carcinogenic risks for individuals of various age categories, including men, women, and children (MWC). A total of 112 samples from rural areas and 41 samples from urban areas of Chikkaballapur taluk were collected during the post‐monsoon season. According to the study's findings, groundwater samples from CBU and CBR surpassed acceptable fluoride concentration limits by 41% and 40%, respectively, while samples from CBR exceeded acceptable nitrate limits by 17%, set by the Bureau of Indian Standards (1 mg/L for fluoride and 45 mg/L for nitrate). All CBU samples remained within the acceptable nitrate limits. The total non‐carcinogenic health risks for MWC ranged from 0.34 to 2.18, 0.40 to 2.58, and 0.46 to 2.95, respectively, for CBU, and from 0.16 to 6.51, 0.19 to 7.69, and 0.21 to 8.80, respectively, for CBR. Furthermore, a significant percentage of the groundwater samples that were collected in CBU (60.98%, 68.29%, and 75.61%) and CBR (48.21%, 62.50%, and 73.21%) exceeded the THI limit for MWC (THI = 1). Hence, based on the health risk assessment, it is evident that children in the study area have greater health risks than men and women.

Dose assessment from exposure to uranium and radon in groundwater in Safi province, Morocco

ABSTRACT In this study we evaluate the uranium and radon concentrations in groundwater from the Province of Safi. The samples were collected from 58 wells across five communes and analyzed using the LR-115 type II detector. Results indicate that uranium concentrations ranged from the Limit of Detection (LLD) to 3.73 µg/l, with a mean of 0.72 µg/l, well below the World Health Organization’s safe limit of 30 µg/l. Radon levels varied from LLD to 2.39 Bq/l, with an average of 0.60 Bq/l, also below the United States Environmental Protection Agency’s limit of 11 Bq/l. The estimated total annual effective dose due to uranium and radon ranged from 3.47 to 18.84 µSv/y, with an average of 7.54 µSv/y, which is significantly lower than the European Commission’s recommended limit of 100 µSv/y. This investigation represents the first study of uranium and radon levels in groundwater in the Province of Safi, providing valuable data for future research and public health.

Closing PFAS analytical gaps: Inter-method evaluation of total organofluorine techniques for AFFF-impacted water

Multiple poly- and perfluoroalkyl substances (PFASs) are present in aqueous film-forming foams (AFFF) used for firefighting activities. Currently, no single analytical technique provides a complete accounting of total PFASs or total organofluorine content in AFFF-contaminated samples. To provide insight into the performance of existing methods, we compared ten previously described PFAS measurement techniques. In AFFF-amended tap water, US EPA Methods 533 and 1633, adsorbable organic fluorine with particle induced gamma emission spectroscopy (AOF-PIGE) and fluorine-19 nuclear magnetic resonance (19F NMR) provided similar estimates of total fluorine. The total oxidizable precursor (TOP) assay, suspect screening, and adsorbable organic fluorine with combustion ion chromatography (AOF-CIC) yielded estimates of total organic fluorine that were about two to three times higher than the other techniques. Proximate to AFFF sources, suspect screening and modified EPA Method 1633 yielded higher results, while the TOP assay results were between the other two sets of analyses. Further from sources, suspect screening, modified EPA Method 1633, and the TOP assay yielded similar results that were 4-fold higher than results from targeted quantification methods, such as EPA Method 1633. These results are consistent with expectations about PFAS behavior and inform the selection of analytical techniques used for PFAS contamination characterization efforts.

Heavy metal contamination in soil and food crops and associated human health risks in the vicinity of Iringa Municipal dumpsite, Tanzania

Heavy metal contamination and potential risks to human health related to consuming major food crops near Iringa Municipal dumpsite are presented. Soil samples, maize (Zea mays L.) and common beans (Phaseolus vulgaris L.) were collected downslope around the dumpsite during wet season. Soil samples were analyzed using Energy-Dispersive X-Ray Fluorescence (EDXRF) while crop (maize and beans) samples were analyzed using Flame Atomic Absorption Spectrophotometer (FAAS). The potential health risks associated with human exposure to heavy metals in maize and common beans was evaluated according to the method prescribed by the United States Environmental Protection Agency. The concentrations Cd (3.25–10.78 mg/kg), As (1.84–10.98 mg/kg) and Ni (71.74–55.10 mg/kg) in soil samples exceed the maximum allowable limits set by Tanzania Bureau of Standards (TBS). The average heavy metal concentration in food crops followed the trend Cd, As < Cr, Pb < Ni < Cu < Mn < Zn with Pb in maize (0.96 mg/kg) and common beans (0.81 mg/kg) above FAO/WHO regulatory standards of 0.3 mg/kg. This implied health concerns to consuming food crops grown in the vicinity of the dumpsite. Further, lifetime–incremental cancer risk (ILCR) assessment suggest that consuming maize and common beans from the study area could increase the risk of both cancer and non-cancerous diseases in both adults and children. However, the degree of ILCR in children was noticeably higher (1.0 × 10–2) than in adults (5.10. × 10–6) for Pb in common beans. Therefore sustainable waste management should be stressed and continuous monitoring of environments around dumpsites is crucial to mitigate the negative impacts on public and environments.

Revolutionizing Waste Management: Solidification of Landfill Leachates Using Alkali-Activated Slag

AbstractLandfill leachate is a highly hazardous effluent characterized by a high concentration of recalcitrant pollutants, presenting a significant environmental challenge. This study investigated the solidification of landfill leachate contaminants using sodium hydroxide-activated Granulated Blast Furnace Slag (GBFS). The stability of the resulting geopolymer was evaluated through unconfined compressive strength and leaching tests. Optimal curing conditions were identified as 7 days at a sodium hydroxide concentration of 12 M, achieving an unconfined compressive strength of 45.738 MPa at a liquid-to-solid ratio of 15%. A linear relationship was observed between the liquid-to-solid ratio and flow workability, with maximum flow workability evidenced by an average diameter of 242 mm at a liquid-to-solid ratio of 0.25. However, a minimum liquid-to-solid ratio of 0.15 was necessary to obtain a workable mortar. The produced geopolymers were characterized using X-ray Fluorescence (XRF) for mineralogical analysis, Scanning Electron Microscopy (SEM) for morphological examination, and the Toxicity Characteristic Leaching Procedure (TCLP) for leaching tests. The findings demonstrated the successful solidification of landfill leachate using GBFS geopolymer. The leachability tests revealed that the geopolymer did not release metals in concentrations exceeding the allowable limits set by the United States Environmental Protection Agency (USEPA), indicating effective encapsulation of the pollutants within the geopolymer matrix. Furthermore, the resultant geopolymer brick is eco-sustainable and can be classified as a green construction material.

Nitrate Contamination in the Groundwater and Associated Human Health Risk Assessment for Gaya District, Bihar, India

The study pertains to nitrate concentration in groundwater resources of the Gaya district, Bihar, India and its related health risk to the local population. Groundwater serves as the principal source of drinking water in the area. 40 representative groundwater samples were collected and analyzed for nitrate and other water quality parameters. The concentration of Nitrate (NO3 -) in the groundwater of Gaya district varied from 1.62 to 155.6 mg/L and exceeded the Bureau of Indian Standards (BIS) permissible limits for drinking water in 30% of the samples. The elevated nitrate levels were predominantly attributed to agricultural activities. To evaluate the human health risks associated with groundwater, Hazard Quotient for nitrate (HQnitrate) were calculated using the United States Environmental Protection Agency method. The mean HQnitrate values were estimated to be 1.03, 0.89 and 1.65 for the male, female and child populace, respectively depicting considerable risk to male and child populace. In 67.5% of the samples, HQnitrate for children exceeded the safety threshold of 1. The study advocates significant health risks, especially to children in many parts of Gaya district due to high concentrations of nitrate in the groundwater. Judicial use of nitrogen-based fertilizers is suggested to prevent further contamination of groundwater.

Per- and polyfluoroalkyl substances (PFAS) in floor dust from different indoor environments in Australia: Levels, variation, and human exposure risks

Per-and polyfluoroalkyl substances (PFAS) have been a global concern in relation to human exposure. Dust has been proven to be an important source of human exposure to many groups of organic pollutants, however, no study so far has systematically evaluated human exposure to PFASdepending on time spent in different indoor environments i.e., houses, offices and public transport vehicles. Archived dust samples were collected from residential houses (n=38), offices (n=15), and public transport vehicles (n=12) in Australia to assess human exposures to PFAS via dust ingestion and dermal contact. Amongst the 19 target analytes, 14 compounds were detected in >50% of the samples. Significantly higher PFAS concentrations were found in dust samples collected from offices with mean±SD of 400±810 ng/g than houses (170±350 ng/g) and public transport vehicles (39±33 ng/g). Composition patterns of PFAS varied among indoor environments with Perfluorohexanoic acid (PFHxA) (median 2.5 ng/g dust) and perfluorooctanoic acid (PFOA) (median 5.7 ng/g) were the most prevalent compounds detected (DF=100%). PFOA was the dominant PFAS compound in both offices (median 11 ng/g) and houses (median 5.8 ng/g). Perfluorododecanoic acid (PFDoA) (median 3.6 ng/g) was found to be the most abundant compounds in public transport vehicles. Considering the time spent in indoor environments, relatively higher estimated daily intakes (EDIs) were identified in offices than in houses and public transport vehicles. EDIs for PFOA and perfluorooctane sulfonic acid (PFOS) for adults and toddlers were well below the acceptable levels of 20 ng/kg/day proposed by U.S Environmental Protection Agency (USEPA) and Food Standard Australia and New Zealand (USEPA, 2016; FSANZ, 2016), suggesting low or negligible exposure pathways via dust ingestion and dermal contact.

Comprehensive risk assessment of lead concentrations in chicken, quail, and duck egg albumen and yolk using Monte Carlo simulations

This study conducted a comparative analysis of the concentration of the lead (Pb) in the albumen and yolk of eggs from domesticated chicken, quail, and duck, with a concurrent assessment of the potential carcinogenic and non-carcinogenic risks associated with the consumption of eggs sourced from Türkiye. A total of 78 poultry egg samples were gathered from breeding farms and farmers' markets situated in Şanlıurfa province. Lead concentrations were assessed through inductively coupled plasma optical emission spectrometry (ICP-OES). Human health risk assessment adheres to the guidelines set forth by the United States Environmental Protection Agency (US EPA), which primarily emphasizes estimated daily intake (EDI), international lifetime cancer risk (ILCR), target hazard quotient (THQ), and Monte Carlo simulation (MCS) as a probabilistic approach. One-way analysis of variance (ANOVA) was employed to compare Pb concentrations within egg yolks and albumens, as well as among various types of eggs. The levels of Pb found in the albumen of chicken, quail, and duck eggs were measured to be 0.31 ± 0.11, 0.43 ± 0.11, and 0.47 ± 0.16 μg kg−1, respectively. The concentrations of Pb in the yolks of chicken, quail, and duck eggs were found to be 0.54 ± 0.19, 0.28 ± 0.11, and 0.69 ± 0.21 μg kg−1, respectively. These concentrations were below the maximum permitted levels set by the FAO/WHO. The results indicated that Pb content in all tested eggs was safe for consumption, with exposure levels significantly below Joint FAO/WHO Expert Committee on Food Additives (JECFA) risk thresholds. The THQ values were less than one, indicating no non-carcinogenic risk. In addition, this study provides accurate and reliable data for policy makers to improve food safety measures and reduce potential public health risks.

A systematic review and BMD modeling approach to develop an AOP for humidifier disinfectant-induced pulmonary fibrosis and cell death

Dosimetry modeling and point of departure (POD) estimation using in vitro data are essential for mechanism-based hazard identification and risk assessment. This study aimed to develop a putative adverse outcome pathway (AOP) for humidifier disinfectant (HD) substances used in South Korea through a systematic review and benchmark dose (BMD) modeling. We collected in vitro toxicological studies on HD substances, including polyhexamethylene guanidine hydrochloride (PHMG-HCl), PHMG phosphate (PHMG-p), a mixture of 5-chloro-2-methyl-4-isothiazolin-3-one and 2-methyl-4-isothiazolin-3-one (CMIT/MIT), CMIT, and MIT from scientific databases. A total of 193 sets of dose-response data were extracted from 34 articles reporting in vitro experimental results of HD toxicity. The risk of bias (RoB) in each study was assessed following the office of health assessment and translation (OHAT) guideline. The BMD of each HD substance at different toxicity endpoints was estimated using the US Environmental Protection Agency (EPA) BMD software (BMDS). Interspecies- or interorgan differences or most critical effects in the toxicity of the HD substances were analyzed using a 95% lower confidence limit of the BMD (BMDL). We found a critical molecular event and cells susceptible to each HD substance and constructed an AOP of PHMG-p- or CMIT/MIT-induced damage. Notably, PHMG-p induced ATP depletion at the lowest in vitro concentration, endoplasmic reticulum (ER) stress, epithelial-to-mesenchymal transition (EMT), inflammation, leading to fibrosis. CMIT/MIT enhanced mitochondrial reactive oxygen species (ROS) production, oxidative stress, mitochondrial dysfunction, resulting in cell death. Our approach will increase the current understanding of the effects of HD substances on human health and contribute to evidence-based risk assessment of these compounds.

Assessing water quality of kazerun county in southwest Iran: Multi-analytical techniques, deterministic vs. probabilistic water quality index, geospatial analysis, fuzzy C-means clustering, and machine learning

Water quality is critical to human health and the environment, especially in arid and semi-arid regions. Hence, the objectives of this study were to assess drinking water quality, identify critical parameters, investigate spatial patterns, and investigate accurate predictive models for the water quality index (WQI) in the Kazerun county in southwest Iran. To address this issue using deterministic and probabilistic WQI, correlation matrix, fuzzy C-Means (FCM) clustering, geostatistics, and adaptive network-based fuzzy inference system (ANFIS) with FIS generation by fuzzy C-Means (FCM-ANFIS) and sub-clustering (SC-ANFIS).Various software tools, including Excel, MATLAB, Python, and GIS were used to analyze groundwater data collected from 25 sampling sites. Water parameters, including pH, Cl−, SO4−2, EC, NO3−, NO2−, Ca2+, Mg2+, and F−, were examined. The results showed that F− levels were within acceptable limits set by the US EPA, but about one-third of sites posed potential health risks based on WHO guidelines. In one-third of regions, the levels of Mg2+ exceeded the recommended guidelines. In deterministic and probabilistic approaches, water quality was excellent in 68% and 81.3% of sites, respectively. Sobol sensitivity analysis identified SO4−2> Mg2+>Cl− > EC > F− > NO3− as significant WQI variables. Spearman correlation matrix shows substantial positive correlations between WQI and EC, F−, SO4−2, Mg2+, and Cl− were shown by the Spearman correlation matrix. Based on the FCM results, the southeast and central sites (56% of sites) have similar water quality. In comparison, the northern and four central sites (28% of sites) have distinct regional features, and the southern sites (16% of sites) had unique water quality characteristics. Geostatistical analyses showed that pH had the most substantial local clustering, while SO4−2 had significant high-value clustering. Furthermore, hot spot research revealed specific sites with high pH, F−, NO3−, and Cl− levels. The FCM-ANFIS model outperformed the SC-ANFIS model, emphasizing FCM clustering's importance in water quality forecasting accuracy.

Dinitrophenyl and NBD platforms based fluorescent sensors for nanomolar detection of zinc ions: Synthesis, zinc ions sensing and DFT studies

The design and synthesis of two new fluorescent probes based on dinitrophenyl (1) and 7-nitrobenz-2-oxa-1,3-diazole (2) platforms is reported. Both probes, containing bis(pyridin-2-ylmethyl)amine as a receptor unit can efficiently detect zin ions (Zn2+) in aqueous solution, with limit of detections of 124 nM and 1.06 µM, respectively. Probe 1 and 2 led to 3-fold and 2.4-fold fluorescent enhancements respectively with the addition of Zn2+, that suggested that working mechanism of these probes is based on the inhibition of the photoinduced electron transfer from the electron donating receptor towards the excited fluorophore. Studying binding stoichiometry by job’s plot suggested 1:1 complexation between the probe and Zn2+. The formation of probes-Zn2+ complexes was validated by both FT-IR and 1H NMR wherein marked changes in the absorption frequencies as well as distinct downfield shifts in the resonance peaks of pyridine function along with the CH2 linked directly to the tertiary nitrogen of the DPA unit were observed. Density functional theory (DFT) calculations suggested that the electronic density of the HOMO in 1 is concentrated on the linker between DPA and dinitrophenyl, while, the density of the LUMO is concentrated on dinitrophenyl moiety. Upon Zn2+ binding, the electronic density in HOMO and LUMO are more delocalized. However, in case of probe 2 the delocalization of electronic density does not appreciably occur. Based on DFT simulations, both sensors form thermodynamic stable complexes with Zn2+ ions. However, sensor 2 exhibited slightly better binding preference toward Zn2+ compared to 1. The PET based probes exhibited good selectivity to detect Zn2+ in the presence of a variety of metal cations. These sensors have higher sensitivity and would be able to detect chronic level of Zn2+ in the freshwater (>1.84 μM) as permitted by the US EPA.

Community-Engaged Research and the Use of Open Access ToxVal/ToxRef In Vivo Databases and New Approach Methodologies (NAM) to Address Human Health Risks From Environmental Contaminants.

The paper analyzes opportunities for integrating Open access resources (Abstract Sifter, US EPA and NTP Toxicity Value and Toxicity Reference [ToxVal/ToxRefDB]) and New Approach Methodologies (NAM) integration into Community Engaged Research (CEnR). CompTox Chemicals Dashboard and Integrated Chemical Environment with in vivo ToxVal/ToxRef and NAMs (in vitro) databases are presented in three case studies to show how these resources could be used in Pilot Projects involving Community Engaged Research (CEnR) from the University of California, Davis, Environmental Health Sciences Center. Case #1 developed a novel assay methodology for testing pesticide toxicity. Case #2 involved detection of water contaminants from wildfire ash and Case #3 involved contaminants on Tribal Lands. Abstract Sifter/ToxVal/ToxRefDB regulatory data and NAMs could be used to screen/prioritize risks from exposure to metals, PAHs and PFAS from wildfire ash leached into water and to investigate activities of environmental toxins (e.g., pesticides) on Tribal lands. Open access NAMs and computational tools can apply to detection of sensitive biological activities in potential or known adverse outcome pathways to predict points of departure (POD) for comparison with regulatory values for hazard identification. Open access Systematic Empirical Evaluation of Models or biomonitoring exposures are available for human subpopulations and can be used to determine bioactivity (POD) to exposure ratio to facilitate mitigation. These resources help prioritize chemical toxicity and facilitate regulatory decisions and health protective policies that can aid stakeholders in deciding on needed research. Insights into exposure risks can aid environmental justice and health equity advocates.

Analysis of Water Quality in the Aik Nyet Natural Tourist Attraction, Buwun Sejati Village, West Lombok Regency

Water quality is a condition that indicates the quality of water in a body of water, water sources and river basins. Water quality requires testing and analysis by considering its physical conditions, chemical content, and biology. Aik Nyet natural tourist attraction is one of the famous water sources in the Lombok area, West Nusa Tenggara. Bathing and swimming activities in this area can potentially cause pollution of water quality, but until now there has been no information regarding the quality of water in this natural tourist attraction. Therefore, this study aims to analyze the quality of water in the Aik Nyet Natural Tourist Attraction, Sesaot Resort, KPHL Rinjani Barat, Lombok. Water quality is assessed using Class Two water quality standards in accordance with the Decree of the Minister of Environment No. 115 of 2003, alongside identification using the US Environmental Protection Agency (US-EPA) system. Sampling was performed at three distinct points to analyze physical, chemical, and biological parameters. The results of the analysis showed that several parameters such as temperature, pH, ammonia levels, and the number of E. coli bacteria met the quality standards, while the chemical parameters DO and BOD showed mild pollution