Skin decontamination with and without water irrigation.

OBJECTIVE: Rinsing only with water or washing with soap and water are common methods of skin decontamination for skin contaminated during a chemical hazard release. The null hypothesis was that a 15-minute water irrigation (decontamination method 1) would not be superior to decontamination using a microfiber towel, followed by a wet wipe (Signature Select Softly Flushable Tissue Better Living Brands LLC, Pleasanton, CA), followed by using another microfiber towel (decontamination method 2). METHODS: A simulated contaminant (Magic Fluorescent Glow Paint for Face and Body, iLC Shenzhen Fulimei Technology Co. LTD, Shenzhen, the People's Republic of China) was applied to the dorsal skin of each subject's forearms. Then, photographs of these subject's skin were taken before and after decontamination of the simulated contaminant by using either decontamination method 1 or 2. Each of the subjects underwent both decontamination methods in separate trials, with each subject using one forearm for decontamination method 1 and their other forearm for decontamination method 2. Discrete points of contamination were quantified on the photographs that were taken with the skin illuminated by ambient visible light or ultraviolet light (395nm, Roceei ultraviolet flashlight, China). RESULTS: Under visible light, no residual contamination was seen by inspecting photographs taken after decontaminating with either method. Under ultraviolet light, less visible contamination was seen by inspecting photographs taken after decontaminating with method 1 than after decontaminating with method 2. CONCLUSION: In this study, skin decontamination with water irrigation was superior to skin decontamination without water irrigation.

Multiple-Criteria Decision Analysis for Assessments of Chemical Alternatives (MCDA-ACA).

A comprehensive assessment of chemical alternatives (ACA) is necessary to avoid regrettable substitution. In a preceding study, an analysis of six hazard assessment methods found that none of them are fully aligned with the hazard assessment criteria of Article 57 of the European REACH regulation, indicating a need for a method better reflecting hazard assessment schemes in European chemical regulations. This paper presents a multiple-criteria decision analysis (MCDA) method for the ACA that takes the criteria of Article 57 of REACH into account. Investigated and presented are objective hierarchies, the aggregation of objectives, the curvature of the value functions, weights, and the introduction of a classification threshold. The MCDA-ACA method allows for the aggregation of hazards in such a way that poor performance in one hazard cannot be compensated for by good performance in another hazard. The method parameters were developed and tested using two data sets with the aim to classify chemical alternatives into acceptable (nonregrettable) and unacceptable (regrettable) alternatives according to the regulations set in Europe. The flexibility of the general method was explored by adapting the method to align with two hazard assessment schemes, Article 57 of REACH and GreenScreen. The results show that MCDA-ACA is so flexible and transparent that it can easily be adapted to various hazard assessment schemes.

Chloropropanols and Their Esters in Food: An Updated Review.

Chloropropanols, their fatty acid esters, and glycidol and its fatty acid esters (GEs) are process contaminants in foods that pose potential health risks. These contaminants typically arise during the deodorization process of vegetable oils, particularly in high concentrations within oils like palm oil and products derived from them, such as margarine, baked goods, pastries, and infant formula. Chloropropanol esters and GE can hydrolyze under the influence of lipases, forming chloropropanols. Elevated temperatures during food production can lead to the release of free 3-chloro-1,2-propanediol (3-MCPD) or free 2-chloro-1,3-propanediol (2-MCPD) in products containing both fat and salt. The exposure to these contaminants, especially for infants and young children, raises concerns about potential health hazards. While extensive research has focused on 3-MCPD, 2-MCPD, and GE, knowledge regarding other chloropropanols such as 1,3-dichloro-2-propanol (1,3-DCP), 2,3-dichloro-1-propanol (2,3-DCP), and their fatty acid esters remains limited. This review aims to provide a comprehensive overview encompassing formation mechanisms, analysis methods, toxicological implications, occurrence patterns, exposure levels, mitigation strategies, and legislative considerations concerning these contaminants.

Chemical hazard assessment toward safer electrolytes for lithium-ion batteries.

Commercialization of rechargeable lithium-ion (Li-ion) batteries has revolutionized the design of portable electronic devices and is facilitating the current transition to electric vehicles. The technological specifications of Li-ion batteries continue to evolve through the introduction of various high-risk liquid electrolyte chemicals, yet critical evaluation of the physical, environmental, and human health hazards of these substances is lacking. Using the GreenScreen for Safer Chemicals approach, we conducted a chemical hazard assessment (CHA) of 103 electrolyte chemicals categorized into seven chemical groups: salts, carbonates, esters, ethers, sulfoxides-sulfites-sulfones, overcharge protection additives, and flame-retardant additives. To minimize data gaps, we focused on six toxicity and hazard data sources, including three empirical and three nonempirical predictive data sources. Furthermore, we investigated the structural similarities among selected electrolyte chemicals using the ChemMine tool and the simplified molecular input line entry system inputs from PubChem to evaluate whether chemicals with similar structures exhibit similar toxicity. The results demonstrate that salts, overcharge protection additives, and flame-retardant additives contain the most toxic components in the electrolyte solutions. Furthermore, carbonates, esters, and ethers account for most flammability hazards in Li-ion batteries. This study supports the complementary use of quantitative structure-activity relationship models to minimize data gaps and inconsistencies in CHA. Integr Environ Assess Manag 2024;20:2231-2244. © 2024 The Author(s). Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

Edible insects: Understanding benzo(a)pyrene toxicokinetics in yellow mealworms for safe and sustainable consumption.

The global interest in edible insects as sustainable protein sources raises concerns about the bioaccumulation of contaminants, including polycyclic aromatic hydrocarbons (PAHs), to problematic levels. Understanding the accumulation dynamics of PAHs in edible insects is highly relevant due to the widespread sources and toxicological profiles; however, the bioaccumulative potential of PAHs in edible insects is unexplored. This study examined the uptake and elimination dynamics of benzo(a)pyrene (B(a)P), a representative and carcinogenic PAH, in yellow mealworm larvae (YMW, Tenebrio molitor). Larvae were exposed to feeding substrate with varying B(a)P concentrations (0.03, 0.3, and 3 mg kg-1), and uptake (21 days in B(a)P-contaminated substrate) and elimination (21 days in B(a)P-free substrate) kinetics were subsequently assessed. The results showed that YMW can eliminate B(a)P, revealing dose-dependent B(a)P bioaccumulation in these insects. Larvae fed on a substrate with 0.03 mg kg-1 accumulated B(a)P over 21 days, presenting values of 0.049 (Standard deviation - 0.011) mg kg-1 and a kinetic-based (BAFkinetic) of 1.93 g substrate g organism-1, exceeding the EU regulatory limits for food. However, with a B(a)P half-life (DT50) of 4.19 days in the larvae, an EU legislation safety criterion was met after a 13-day depuration period in clean substrate. Larvae exposed to substrates with 0.3 and 3 mg kg-1 showed B(a)P accumulation, with BAFkinetic values of 3.27 and 2.09 g substrate g organism-1, respectively, not meeting the current legal standards for food consumption at the end of the exposure to B(a)P. Although the B(a)P half-life values after 35 days were 4.30 and 10.22 days (DT50s), the larvae retained B(a)P levels exceeding permitted food safety limits. These findings highlight a significant oversight in regulating PAHs in animal feed and the need for comprehensive safety evaluations of PAH hazards in edible insects for improved PAH feeding guidelines.

The probable future of toxicology - probabilistic risk assessment.

Both because of the shortcomings of existing risk assessment methodologies, as well as newly available tools to predict hazard and risk with machine learning approaches, there has been an emerging emphasis on probabilistic risk assessment. Increasingly sophisticated AI models can be applied to a plethora of exposure and hazard data to obtain not only predictions for particular endpoints but also to estimate the uncertainty of the risk assessment outcome. This provides the basis for a shift from deterministic to more probabilistic approaches but comes at the cost of an increased complexity of the process as it requires more resources and human expertise. There are still challenges to overcome before a probabilistic paradigm is fully embraced by regulators. Based on an earlier white paper (Maertens et al., 2022), a workshop discussed the prospects, challenges and path forward for implementing such AI-based probabilistic hazard assessment. Moving forward, we will see the transition from categorized into probabilistic and dose-dependent hazard outcomes, the application of internal thresholds of toxicological concern for data-poor substances, the acknowledgement of user-friendly open-source software, a rise in the expertise of toxicologists required to understand and interpret artificial intelligence models, and the honest communication of uncertainty in risk assessment to the public.

Probabilistic risk assessment, initially from engineering, is applied in toxicology to understand chemical-related hazards and their consequences. In toxicology, uncertainties abound ­ unclear molecular events, varied proposed outcomes, and population-level assessments for issues like neurodevelopmental disorders. Establishing links between chemical exposures and diseases, especially rare events like birth defects, often demands extensive studies. Existing methods struggle with subtle effects or those affecting specific groups. Future risk assessments must address developmental disease origins, presenting challenges beyond current capabilities. The intricate nature of many toxicological processes, lack of consensus on mechanisms and outcomes, and the need for nuanced population-level assessments highlight the complexities in understanding and quantifying risks associated with chemical exposures in the field of toxicology.

Recent advances in inspection technologies of food safety health hazards for fish and fish products.

The development of reliable and sensitive detection methods is essential for addressing the escalating concerns surrounding fish and fish products, driven by increasing market demands. This comprehensive review presents recent advances in detection approaches, specifically focusing on microplastic, biological, and chemical hazards associated with these products. The overview encompasses 21 distinct detection methods, categorized based on the type of hazard they target. For microplastic hazards, six methods are visual, spectroscopic, and thermal analyses. Biological hazard identification relies on six approaches employing nucleic-acid sequence, immunological, and biosensor technologies. The investigation of chemical hazards encompasses ten methods, including chromatography, spectroscopy, mass spectrometry, immunological, biosensor, and electrochemical techniques. The review provides in-depth insights into the basic principles, general characteristics, and the recognized advantages and disadvantages of each method. Moreover, it elaborates on recent advancements within these methodologies. The concluding section of the review discusses current challenges and outlines future perspectives for these detection methods. Overall, this comprehensive summary not only serves as a guide for researchers involved in fish safety and quality control but also emphasizes the significance of staying abreast of evolving detection technologies to ensure the continued safety of fish and fish products in response to emerging food safety hazards.

Observational study on occupational exposure of dairy farmers to formaldehyde.

OBJECTIVES: To provide insights into exposure of Dutch dairy farmers to formaldehyde derived from formalin footbaths used for cows. Dutch safety norms are set at a limit of 0.122 ppm during an 8-hour time-weighted average (TWA) and 0.407 ppm for a 15-min TWA. METHODS: At 20 farms formaldehyde air concentrations were determined using stationary active air sampling with impingers next to the footbath and in the milking parlour during footbath usage. Formalin footbath concentrations were tested and meteorological conditions were collected using a climate monitor to assess associations with formaldehyde concentrations. A structured interview inquired on potential exposure routes and exposure duration. RESULTS: Formaldehyde concentrations next to the footbath ranged from <0.003 to 0.316 ppm, with seven measurements exceeding the 8-hour TWA threshold. None of the measurements exceeded the 15-min TWA threshold at either location. Formaldehyde air concentrations in the milking parlour were generally lower, yet at two farms exceeded the 8-hour TWA limit during sampling. Self-reported exposure time of the dairy farmers to the formalin footbath never exceeded 15 min. Although due to the small sample size, no significant associations between most predictor variables and formaldehyde levels in the air were found, the direction of effects were as expected. CONCLUSIONS: The exposure of Dutch dairy farmers presumably falls within the established safety norms. Nonetheless, substantial levels of formaldehyde could be detected. This study further emphasises the importance of substitution of formalin in dairy practice and the relevance of informing dairy farmers on proper handling of formalin to reduce exposure.

A case of syncope in a villager with hypertrophic cardiomyopathy after hydrogen sulfide exposure by an unauthorized discharge of wastewater.

Background: Hydrogen sulfide is a toxic substance that humans can be exposed to occupationally, and cases of hydrogen sulfide poisoning of workers in industrial sites are commonly reported. However, there have been no cases of poisoning of the public due to an unauthorized discharge of wastewater, so it is important to describe this incident. Case presentation: In a small village in Jeollanam-do, Republic of Korea, accounts of a terrible stench had been reported. A 26-year-old man who lived and worked in a foul-smelling area was taken to the emergency room with a headache, dizziness, nausea, and repeated syncope. A subsequent police and Ministry of Environment investigation determined that the cause of the stench was the unauthorized discharge of 9 tons of wastewater containing hydrogen sulfide through a stormwater pipe while the villagers were sleeping. The patient had no previous medical history or experience of symptoms. Leukocytes and cardiac markers were elevated, an electrocardiogram indicated biatrial enlargement, left ventricular hypertrophy, and corrected QT interval prolongation. Myocardial hypertrophy was detected on a chest computed tomography scan, and hypertrophic cardiomyopathy was confirmed on echocardiography. After hospitalization, cardiac marker concentrations declined, symptoms improved, and the patient was discharged after 7 days of hospitalization. There was no recurrence of symptoms after discharge. Conclusions: We suspect that previously unrecognized heart disease manifested or was aggravated in this patient due to exposure to hydrogen sulfide. Attention should be paid to the possibility of unauthorized discharge of hydrogen sulfide, etc., in occasional local incidents and damage to public health. In the event of such an accident, it is necessary to have government guidelines in place to investigate health impact and follow-up clinical management of exposed residents.

Length of employment in workplaces handling hazardous chemicals and risk of cancer among Japanese men.

OBJECTIVES: In Japan, the risk of developing cancer among workers employed in workplaces where chemical substances are handled is unclear. This study aimed to assess the association between cancer risk and employment in workplaces handling hazardous chemicals. METHODS: The Inpatient Clinico-Occupational Survey of the Rosai Hospital Group data of 120 278 male patients with incident cancer and 217 605 hospital controls matched for 5-year age group, hospital (34 hospitals) and year of admission (2005-2019) were analysed. Cancer risk in relation to lifetime employment in workplaces using regulated chemicals was assessed while controlling for age, region and year of diagnosis, smoking, alcohol consumption and occupation. Further analysis stratified by smoking history was performed to examine interaction effects. RESULTS: In the longest group of employment in tertiles, ORs were increased for all cancers (OR=1.13; 95% CI: 1.07 to 1.19) and lung (OR=1.82; 95% CI: 1.56 to 2.13), oesophageal (OR=1.73; 95% CI: 1.18 to 2.55), pancreatic (OR=2.03; 95% CI: 1.40 to 2.94) and bladder (OR=1.40; 95% CI: 1.12 to 1.74) cancers. Employment of 1+ years was associated with risk for lung cancer; 11+ years for pancreatic and bladder cancers; and 21+ years for all cancers and oesophageal cancer. These positive relationships were particularly obvious among patients with a history of smoking; however, no significant interaction between smoking and length of employment was observed. CONCLUSIONS: There is a high risk of cancer among workers, especially smokers, employed in workplaces handling regulated chemicals in Japan. Thus, future measures for chemical management in workplaces are needed to prevent avoidable cancers.

Occupational risk factors and exposure-response relationships for airway disease among health workers exposed to cleaning agents in tertiary hospitals.

OBJECTIVES: This study investigated occupational risk factors and exposure-response relationships for airway disease among health workers (HWs) exposed to cleaning agents in two tertiary hospitals in South Africa and Tanzania. METHODS: In this cross-sectional study, 697 participants completed questionnaire interviews while 654 underwent fractional exhaled nitric oxide (FeNO) testing. Asthma Symptom Score (ASS) was computed based on the sum of answers to five questions on asthma-related symptoms in the past 12 months. For exposure-response analyses, cleaning agent-related self-reported exposure variables were categorised into three levels (cleaning product not used; use of a cleaning product for up to 99 min per week and use of a cleaning product for ≥100 min per week). RESULTS: Asthma-related outcomes (ASS and FeNO) demonstrated positive associations with medical instrument cleaning agents (orthophthalaldehyde and enzymatic cleaners) and tasks (instruments precleaning and changing sterilisation solutions) as well as patient care activities (disinfection prior to procedures and disinfecting wounds). A particularly pronounced dose-response relationship was observed between work-related ocular-nasal symptoms and medical instrument cleaning agents (orthophthalaldehyde, glutaraldehyde, enzymatic cleaners, alcohols and bleach) (OR range: 2.37-4.56) and tasks (OR range: 2.92-4.44). A strong association was also observed between ASS and use of sprays for fixed surface cleaning (mean ratio 2.81; 95% CI 1.41 to 5.59). CONCLUSIONS: Specific agents for medical instrument disinfection for example, orthophthalaldehyde and enzymatic cleaners, patient care activities and use of sprays are important occupational risk factors for airway disease among HWs.

The Effect of Prior Mental Health on Persistent Physical Symptoms after Exposure to a Chemical Disaster.

A styrene monomer (SM) oil vapor leak occurred at a chemical plant in Seosan, South Korea on 17 May 2019. A bad odor developed, and many residents complained of various symptoms and visited nearby medical institutions. We analyzed the demographic and clinical characteristics of patients treated at local hospitals and clinics for symptoms related to SM exposure, and identified factors affecting symptom persistence in any organ. Data were collected by the main Seosan office, and 1201 (33.0%) subjects agreed to participate in this study. We used the Assessment of Chemical Exposure toolkit of the Agency for Toxic Substances and Disease Registry. Logistic regression was performed to determine whether mental health symptoms prior to the accident were risk factors for symptom persistence. The strongest risk factor for persistence of at least one symptom in any organ was a preexisting mental health symptom (odds ratio [OR] = 5.47, 95% confidence interval [CI]: 2.57-11.65). Persistent symptoms of the nervous (OR = 1.54), musculoskeletal (OR = 1.92), and gastrointestinal (OR = 1.45) systems were observed. Prior mental health symptoms are risk factors for persistent physical symptoms after a chemical disaster. After a disaster, management of individuals with preaccident mental symptoms or disease is needed.

Plastic packaging-associated chemicals and their hazards - An overview of reviews.

Plastic packaging contains residues from substances used during manufacturing, such as solvents, as well as non-intentionally added substances (NIAS), such as impurities, oligomers, or degradation products. By searching peer-reviewed literature, we found that at least 10,259 chemicals were related to plastic packaging materials, which include chemicals used during manufacturing and/or present in final packaging items. We then summarized and discussed their chemical structures, analytical instruments, migration characteristics, and hazard categories where possible. For plastic packaging chemicals, examination of the literature reveals gas and liquid chromatography hyphenated to a variety of accurate mass analyzers based on the use of high-resolution mass spectrometry is usually used for the identification of unknown migrants coming from plastic packaging. Chemical migration from food packaging is affected by several parameters, including the nature and complexity of the food, contact time, temperature of the system, type of packaging contact layer, and properties of the migrants. A review of the literature reveals that information on adverse effects is only available for approximately 1600 substances. Among them, it appears that additives are more toxic than monomers to wildlife and humans. Neurotoxicity accounted for the highest proportion of toxicity of all types of chemicals, while benzenoids, organic acids, and derivatives were the most toxic types of chemicals. Furthermore, studies have demonstrated that hydrocarbon derivatives, organic nitrogen compounds, and organometallic compounds have the highest proportions of dermatotoxicity, and organohalogen compounds have the highest proportions of hepatotoxicity. The main contributors to skin sensitization are organic salts. This study provides a basis for comprehensively publicizing information on chemicals in plastics, and could be helpful to better understand their potential risks to the environment and humans.

Methodology for risk-based monitoring of contaminants in food - A case study in cereals and fish.

In this study, a methodology was developed that can be used as input for risk-based monitoring plans for chemical contaminants in food products. The novel methodology was applied to a case study in which cereals and fish were evaluated simultaneously for the possible presence of mycotoxins and heavy metals. The methodology was based on hazard quotients that were estimated by dividing the daily intake - using concentrations of the contaminants in the different food products and consumption of the respective products combined per product group - by the health based guidance value (HBGV) or reference points used for assessing potential health concerns (RPHC). The most relevant hazard-product combinations were further ranked based on the volume of import of the ingredients, per import country and a defined contaminant prevalence level per country. For fish, the hazard quotients were around ten times lower compared to the highest hazard quotients in cereals. Consumption of molluscs, mackerel-type fish and herring-type fish contaminated with mercury contributed most to the HBGV or RPHC. The top 25 hazard-product combinations for various age groups included: aflatoxin B1 in combination with wheat, rice (products), maize (products), and pasta, zearalenone in combination with wheat (products), T2/HT2-toxin in combination with rice (products), and DON in combination with wheat (products). The methodology presented showed to be useful in identifying the most relevant hazard-food-age group combinations and the most relevant import countries linked to these that should be included in the monitoring. As such, the method can help risk managers in establishing risk-based monitoring programs.

[The modification of methodological approaches for potential hazard identification of inadvertent chemicals in food].

The existing methodological approaches for hazard identification and selection of priority hazard contaminants in foodstuff for further health risk assessment and legislation (in case of need) do not represent the reasons of inclusion inadvertent chemical substances in a number of priority for health risk assessment. The absence both of complex assessment and potential hazard categories of contaminants do not allow to assess the urgency of health risk assessment. Thus, it's advisable to expand the existing methodological approaches with the criteria of selection of hazard inadvertent chemical substances in food. The criteria allow for an integral assessment and further categorizing for health risk assessment and legislation. The aim of the research was to develop the methodological approaches to selection of priority inadvertent chemical substances in foodstuff for risk analysis and legislation based on the integral assessment Results. Material and methods. Various methods of chemical analysis were applied for detection of potentially hazard chemical substances in foodstuff. The further hazard identification and selection of priority chemical substances has been based on suggested criteria and categories that complete existing methodology. The approbation of methodological approaches to integral assessment and categorizing has been carried out on milk. Results and discussion. The potential hazard identification of inadvertent chemicals has been carried out using the complex of selection criteria. It was suggested to apply scores for calculation of integral score for further categorizing and selection of priority chemical substances (taking into account substances' toxicity class and possibility of migration during cooking or formation during technological process, and from packing, and from food raw materials). 5 hazard chemicals in milk (2-furanmethanol, thallium, mevinphos, sulfotep, mephospholane) were defined as priority category as the result of approbation. Conclusion. Integral assessment and categorizing of potential hazard of inadvertent chemicals in food applying basic and additional criteria taking into account natural content of the substances and their possibility of migration in food allow to assess the priority of health risk assessment and further hygienic legislation of the substances (in case if the risk level is inappropriate). During the approbation on the example of milk, 5 unintended substances that had potential hazard category I (high priority) were recommended for further risk assessment.

A geospatial risk analysis graphical user interface for identifying hazardous chemical emission sources.

Background: Performing back trajectory and forward trajectory using the Hybrid Single-Particle Lagrangian Integrated Trajectory Model (HYSPLIT) is a reliable approach for assessing particle transport after release among mid-field atmospheric models. HYSPLIT has an externally facing online interface that allows non-expert users to run the model trajectories without requiring extensive training or programming. However, the existing HYSPLIT interface is limited if simulations have a large amount of meteorological data and timesteps that are not coincident. The objective of this study is to design and develop a more robust tool to rapidly evaluate hazard transport conditions and to perform risk analysis, while still maintaining an intuitive and user-friendly interface. Methods: HYSPLIT calculates forward and backward trajectories of particles based on wind speed, wind direction, and the corresponding location, timestamp, and Pasquill stability classes of the regions of the atmosphere in terms of the wind speed, the amount of solar radiation, and the fractional cloud cover. The computed particle transport trajectories, combined with the online Proton Transfer Reaction-Mass Spectrometry (PTR-MS) data (https://figshare.com/articles/dataset/ARL_Data_from_PROS_station_at_Hanford_site/19993964), can be used to identify and quantify the sources and affected area of the hazardous chemicals' emission using the potential source distribution function (PSDF). PSDF is an improved statistical function based on the well-known potential source contribution function (PSCF) in establishing the air pollutant source and receptor relationship. Performing this analysis requires a range of meteorological and pollutant concentration measurements to be statistically meaningful. The existing HYSPLIT graphical user interface (GUI) does not easily permit computations of trajectories of a dataset of meteorological data in high temporal frequency. To improve the performance of HYSPLIT computations from a large dataset and enhance risk analysis of the accidental release of material at risk, a geospatial risk analysis tool (GRAT-GUI) is created to allow large data sets to be processed instantaneously and to provide ease of visualization. Results: The GRAT-GUI is a native desktop-based application and can be run in any Windows 10 system without any internet access requirements, thus providing a secure way to process large meteorological datasets even on a standalone computer. GRAT-GUI has features to import, integrate, and convert meteorological data with various formats for hazardous chemical emission source identification and risk analysis as a self-explanatory user interface. The tool is available at https://figshare.com/articles/software/GRAT/19426742.

Quantitative multi-species toxicity modeling: Does a multi-species, machine learning model provide better performance than a single-species model for the evaluation of acute aquatic toxicity by organic pollutants?

The toxicological profile of any chemical is defined by multiple endpoints and testing procedures, including representative test species from different trophic levels. While computer-aided methods play an increasingly important role in supporting ecotoxicology research and chemical hazard assessment, most of the recently developed machine learning models are directed towards a single, specific endpoint. To overcome this limitation and accelerate the process of identifying potentially hazardous environmental pollutants, we are introducing an effective approach for quantitative, multi-species modeling. The proposed approach is based on canonical correlation analysis that finds a pair(s) of uncorrelated, linear combinations of the original variables that best defines the overall variability within and between multiple biological responses and predictor variables. Its effectiveness was confirmed by the machine learning model for estimating acute toxicity of diverse organic pollutants in aquatic species from three trophic levels: algae (Pseudokirchneriella subcapitata), daphnia (Daphnia magna), and fish (Oryzias latipes). The multi-species model achieved a favorable predictive performance that were in line with predictive models derived for the aquatic organisms individually. The chemical bioavailability and reactivity parameters (n-octanol/water partition coefficient, chemical potential, and molecular size and volume) were important to accurately predict acute ecotoxicity to the three aquatic organisms. To facilitate the use of this approach, an open-source, Python-based script, named qMTM (quantitative Multi-species Toxicity Modeling) has been provided.

Chemical food safety hazards in circular food systems: a review.

Food production has increasingly become effective but not necessarily sustainable. Transitioning toward circular production systems aiming to minimize waste and reuse materials is one of the means to obtain a more sustainable food production system. However, such a circular food production system can also lead to the accumulation and recirculation of chemical hazards. A literature review was performed to identify potential chemical hazards related to the use of edible and non-edible resources in agriculture and horticulture, and edible plant and animal by-products in feed production. The review revealed that limited information was available on the chemical hazards that could occur when reusing crop residues in circular agriculture. Frequently mentioned hazards present in edible and non-edible resources are heavy metals, process and environmental contaminants, pesticides and pharmaceuticals. For feed, natural toxins and pharmaceutical residues are of potential concern. Studies, furthermore, indicated that plants are capable of taking up chemical hazards when grown on contaminated soil. The presence of chemical hazards in manure, sewage sludge, crop residues, and animal by-products may lead to accumulation in a circular food production system. Therefore, it is relevant to identify these hazards prior to application in food production and, if needed, take precautionary measures to prevent food safety risks.