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Determination of Artificial Sweeteners in Commercial Beverages: Do We Know What We Are Consuming? -
Healthcare Waste Toxicity: From Human Exposure to Toxic Mechanisms and Management Strategies -
Effects of Endocrine-Disrupting Chemicals in the Brain: The Example of Neurodevelopment Alterations upon Exposure In Utero to Synthetic Sex Hormones
Journal Description
Journal of Xenobiotics
Journal of Xenobiotics
is an international, peer-reviewed, open access journal on xenobiotics published bimonthly online by MDPI (since Volume 10, Issue 1 - 2020).
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, ESCI (Web of Science), PubMed, PMC, CAPlus / SciFinder, Embase, and other databases
- Journal Rank: JCR - Q1 (Toxicology) / CiteScore - Q2 (Pharmacology)
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 22.7 days after submission; acceptance to publication is undertaken in 3.9 days (median values for papers published in this journal in the second half of 2025).
- Recognition of Reviewers: APC discount vouchers, optional signed peer review and reviewer names are published annually in the journal.
Impact Factor:
4.4 (2024);
5-Year Impact Factor:
5.7 (2024)
Latest Articles
Potential Role of Mosses in Evaluating Airborne Microplastic Deposition in Terrestrial Ecosystems
J. Xenobiot. 2026, 16(1), 21; https://doi.org/10.3390/jox16010021 (registering DOI) - 24 Jan 2026
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The deposition of airborne microplastics (MPs) poses potential risks to human health and terrestrial ecosystems. Therefore, suitable mitigation efforts are needed, as is knowledge of their deposition patterns in inhabited and remote regions. Currently, there are no standardized protocols for monitoring airborne MPs,
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The deposition of airborne microplastics (MPs) poses potential risks to human health and terrestrial ecosystems. Therefore, suitable mitigation efforts are needed, as is knowledge of their deposition patterns in inhabited and remote regions. Currently, there are no standardized protocols for monitoring airborne MPs, and implementing and managing automatic monitoring systems would be costly and feasible only in a few fixed locations. Over the past few decades, several species of cryptogams have proven to be reliable biomonitors of persistent atmospheric contaminants. Due to the lack of standardized methodologies, the results of preliminary biomonitoring surveys for MPs have been inconsistent and difficult to compare. However, they clearly indicate higher MP concentrations in epigeic mosses than in epiphytic lichens (collected at the same site or experimentally exposed in parallel in bags). This review discusses the morphophysiological features that favor the entrapment and retention of intercepted MPs in mosses, as well as the field and laboratory activities necessary to determine whether these organisms progressively accumulate airborne MPs as a function of the exposure time. Steps for future research needed to develop a cost-effective, reliable and easily applicable biomonitoring methodology are suggested. Evaluating the advantages of active moss biomonitoring over sampling atmospheric bulk deposition or exposing suitable commercial materials is recommended.
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Remediation Potential of Ulva lactuca for Europium: Removal Efficiency, Metal Partitioning and Stress Biomarkers
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Saereh Mohammadpour, Thainara Viana, Rosa Freitas, Eduarda Pereira and Bruno Henriques
J. Xenobiot. 2026, 16(1), 20; https://doi.org/10.3390/jox16010020 (registering DOI) - 24 Jan 2026
Abstract
As demand for rare earth elements (REEs) rises and environmental concerns about the extraction of primary resources grow, biological methods for removing these elements have gained significant attention as eco-friendly alternatives. This study assessed the ability of the green macroalga Ulva lactuca to
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As demand for rare earth elements (REEs) rises and environmental concerns about the extraction of primary resources grow, biological methods for removing these elements have gained significant attention as eco-friendly alternatives. This study assessed the ability of the green macroalga Ulva lactuca to remove europium (Eu) from aqueous solutions, evaluated the cellular partition of this element and investigated the toxicological effects of Eu exposure on its biochemical performance. U. lactuca was exposed to variable concentrations of Eu (ranging from 0.5 to 50 mg/L), and the amount of Eu in both the solution and algal biomass was analyzed after 72 h. The results showed that U. lactuca successfully removed 85 to 95% of Eu at low exposure concentrations (0.5–5.0 mg/L), with removal efficiencies of 75% and 47% at 10 and 50 mg/L, respectively. Europium accumulated in algal biomass in a concentration-dependent manner, reaching up to 22 mg/g dry weight (DW) at 50 mg/L. The distribution of Eu between extracellular and intracellular fractions of U. lactuca demonstrated that at higher concentrations (5.0–50 mg/L), 93–97% of Eu remained bound to the extracellular fraction, whereas intracellular uptake accounted for approximately 20% at the lowest concentration (0.5 mg/L). Biochemical analyses showed significant modulation of antioxidant defenses. Superoxide dismutase activity increased at 10 and 50 mg/L, while catalase and glutathione peroxidase activities were enhanced at lower concentrations (0.5–1.0 mg/L) and inhibited at higher exposures. Lipid peroxidation levels remained similar to controls at most concentrations, with no evidence of severe membrane damage except at the highest Eu level. Overall, the results demonstrate that U. lactuca is an efficient and resilient biological system for Eu removal, combining high sorption capacity with controlled biochemical responses. These findings highlight its potential application in environmentally sustainable remediation strategies for REE-contaminated waters, while also providing insights into Eu toxicity and cellular partitioning mechanisms in marine macroalgae.
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(This article belongs to the Special Issue Xenobiotics in Aquatic Ecosystems: Fate, Toxicity, and Sustainable Remediation)
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Comparative Hepatic Toxicity of Pesticides in Common Carp (Cyprinus carpio Linnaeus, 1758): An Integrated Histopathological, Histochemical, and Enzymatic Biomarker Approach
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Vesela Yancheva, Stela Stoyanova, Elenka Georgieva, Eleonora Kovacheva, Bartosz Bojarski, László Antal, Ifeanyi Emmanuel Uzochukwu and Krisztián Nyeste
J. Xenobiot. 2026, 16(1), 19; https://doi.org/10.3390/jox16010019 - 22 Jan 2026
Abstract
The intensive use of pesticides in agriculture poses serious risks to aquatic ecosystems and non-target organisms, yet toxicological data remain limited. This study evaluated the acute effects of three widely used pesticides—pirimiphos-methyl (10 and 60 μg/L), propamocarb hydrochloride (40 and 80 μg/L), and
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The intensive use of pesticides in agriculture poses serious risks to aquatic ecosystems and non-target organisms, yet toxicological data remain limited. This study evaluated the acute effects of three widely used pesticides—pirimiphos-methyl (10 and 60 μg/L), propamocarb hydrochloride (40 and 80 μg/L), and 2,4-D (50 and 100 μg/L)—on the liver of common carp (Cyprinus carpio Linnaeus, 1758), a sentinel species in aquaculture, but also a species equally important in risk assessment and environmental monitoring. Fish were exposed for 96 h under controlled conditions, and histopathological, histochemical, and biochemical biomarkers were analyzed. All tested pesticides induced significant histopathological alterations, predominantly circulatory and degenerative changes, with severity increasing at higher concentrations. Propamocarb hydrochloride and 2,4-D caused more pronounced and partly irreversible hepatotoxicity compared to pirimiphos-methyl. The histochemical assessment revealed altered glycogen metabolism, while the biochemical assays showed inhibition of key liver enzymes, including ALAT, ASAT, ChE, and LDH, indicating disrupted metabolic processes. These findings highlight the vulnerability of aquatic organisms to pesticide exposure and support the use of fish liver biomarkers as effective tools in ecotoxicology research. The study also emphasizes the need for stricter regulation and environmental monitoring of pesticide contamination in aquatic ecosystems.
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(This article belongs to the Special Issue Xenobiotics in Aquatic Ecosystems: Fate, Toxicity, and Sustainable Remediation)
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From Aquifer to Tap: Comprehensive Quali-Quantitative Evaluation of Plastic Particles Along a Drinking Water Supply Chain of Milan (Northern Italy)
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Andrea Binelli, Alberto Cappelletti, Cristina Cremonesi, Camilla Della Torre, Giada Caorsi and Stefano Magni
J. Xenobiot. 2026, 16(1), 18; https://doi.org/10.3390/jox16010018 - 22 Jan 2026
Abstract
This study presents the first evaluation of plastic particle contamination along a complete drinking water supply chain within the distribution system of Milan, Northern Italy. Fourteen grab water samples were collected from various points, including groundwater extraction, post-treatment stages, a public fountain, and
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This study presents the first evaluation of plastic particle contamination along a complete drinking water supply chain within the distribution system of Milan, Northern Italy. Fourteen grab water samples were collected from various points, including groundwater extraction, post-treatment stages, a public fountain, and ten household taps. Plastic particles were identified using µFTIR spectroscopy and characterized by polymer type, shape, size, and color. Overall, low concentrations of plastic particles were detected, ranging from 0.3 ± 0.5 particles/L in the accumulation tank to an average of 1.9 ± 1.4 particles/L in household tap water, with no significant increase observed along the supply chain. The entire data set was dominated by cellulose particles (76%), as plastics accounted for only 8%. Microplastics (1 µm–1 mm) were the most commonly detected (90%), while the remaining 10% were large microplastics (1–5 mm). Qualitatively, polyester fibers were the most prevalent particles identified. However, greater variability and higher concentrations were found in private residence samples, suggesting that internal plumbing systems may be a primary source of contamination. Estimated human exposure through this supply system, based on a current theoretical model, was minimal compared to global benchmarks. These findings highlight the necessity of integrating private distribution infrastructure into future regulatory frameworks to assist stakeholders in making informed decisions to mitigate potential plastic contamination.
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(This article belongs to the Special Issue (Micro)plastic Pollution: From Monitoring to Toxicity in All Environments)
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Geochemical Patterns and Human Health Risks of Less-Regulated Metal(loid)s in Historical Urban and Industrial Topsoils from Alcalá de Henares, Spain
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Antonio Peña-Fernández, Manuel Higueras, Gevorg Tepanosyan, M. Ángeles Peña Fernández and M. C. Lobo
J. Xenobiot. 2026, 16(1), 17; https://doi.org/10.3390/jox16010017 - 21 Jan 2026
Abstract
Nine technology-related metal(loid)s (Ag, Co, Fe, Mo, Pt, Rh, Sb, Se and Y) were monitored in 137 topsoil samples from urban parks, industrial areas and gardens in Alcalá de Henares (Spain) using ICP–MS. Selenium was not detected, while Mo, Sb and Rh showed
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Nine technology-related metal(loid)s (Ag, Co, Fe, Mo, Pt, Rh, Sb, Se and Y) were monitored in 137 topsoil samples from urban parks, industrial areas and gardens in Alcalá de Henares (Spain) using ICP–MS. Selenium was not detected, while Mo, Sb and Rh showed a high proportion of values below the detection limit, indicating generally low contamination. In contrast, Fe, Co and Y were detected in all samples, with industrial soils showing about two-fold higher median Co and Fe than urban soils. Garden soils displayed marked silver enrichment (median 0.439 vs. 0.068 mg kg−1 in urban soils), with Ag pollution indices up to 71 and enrichment factors up to 69; around 17% of garden samples exceeded EF > 40, and more than one-quarter had EF > 10. Principal component analysis suggested a predominantly geogenic association for Co, Fe and Y and an anthropogenic component for Ag, Mo, Rh and Sb, while Pt was mainly linked to vehicular emissions. Under standard US EPA exposure scenarios applied to the 2001 topsoil concentrations, oral and inhalation hazard quotients for elements with available benchmarks remained <0.2 and inhalation cancer risks for Co were ≤2.5 × 10−7, indicating low estimated risk within the model assumptions. However, quantitative risk characterisation remains constrained by benchmark gaps for Pt and Rh and by limited consensus toxicity values for Y, which introduces uncertainty for these technology-related elements. These results should therefore be interpreted primarily as a baseline (2001) in surface soils for Alcalá de Henares rather than as a direct representation of current exposure conditions.
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(This article belongs to the Section Emerging Chemicals)
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Long-Term Per- and Polyfluoroalkyl Substances Exposure and Kidney Function in Taiwanese Adolescents and Young Adults: A 10-Year Prospective Cohort Study
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Chien-Yu Lin, Hui-Ling Lee and Ta-Chen Su
J. Xenobiot. 2026, 16(1), 16; https://doi.org/10.3390/jox16010016 - 21 Jan 2026
Abstract
Background and hypothesis: Per- and polyfluoroalkyl substances (PFAS) are highly persistent synthetic chemicals that can accumulate in renal tissue and potentially disrupt kidney function. Most prospective studies on PFAS–renal associations have focused on middle-aged or older adults, leaving uncertainty about whether similar
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Background and hypothesis: Per- and polyfluoroalkyl substances (PFAS) are highly persistent synthetic chemicals that can accumulate in renal tissue and potentially disrupt kidney function. Most prospective studies on PFAS–renal associations have focused on middle-aged or older adults, leaving uncertainty about whether similar patterns exist in younger populations. Methods: We investigated decade-long trajectories of plasma concentrations of 11 PFAS and their longitudinal associations with estimated glomerular filtration rate (eGFR) among 529 Taiwanese adolescents and young adults (aged 12–30 years) enrolled in the prospective YOung TAiwanese Cohort (YOTA), with measurements obtained in 2006–2008 and 2017–2019. Results: Nearly all plasma PFAS declined significantly over the 10-year period. Despite these reductions, higher baseline levels and greater annualized increases (Δln-PFAS/Δt) in linear perfluorooctanoic acid (PFOA), linear and branched perfluorooctane sulfonic acid (PFOS), perfluorononanoic acid (PFNA), and perfluorodecanoic acid (PFDA) were consistently associated with larger eGFR gains over time (β = 0.33–0.40, q < 0.05). In complementary models using follow-up eGFR as the outcome, both baseline and cumulative PFAS changes (Δln-PFAS) remained positively associated with higher eGFR (β = 1.71–3.84, q < 0.05). Polynomial analyses further indicated mild non-linear exposure–response patterns for several PFAS, suggesting that renal effects may deviate from linearity across exposure ranges. The composite PFAS exposure index (mean of standardized ln-PFAS concentrations) was robustly associated with higher eGFR across sensitivity analyses excluding participants with chronic conditions. These associations were more pronounced among individuals with greater metabolic or physiological vulnerability. Conclusions: Higher PFAS exposure was associated with elevated eGFR in young adults, which may be consistent with early glomerular hyperfiltration or other renal hemodynamic alterations. These findings raise the hypothesis of early renal stress in early life and underscore the need for ongoing biomonitoring and longitudinal follow-up with additional kidney injury markers to clarify long-term renal consequences.
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(This article belongs to the Topic Environmental Toxicology and Human Health—2nd Edition)
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Evaluation of Plasticiser Levels, Phthalates and Bisphenols in Bahraini Subjects with and Without Type-2 Diabetes
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Edwina Brennan, Priya Das, Pearl Wasif, Xianyu F. Wang, Jochen F. Mueller, Chang He, Jean V. Varghese, Alexandra E. Butler, Stephen L. Atkin and Naji Alamuddin
J. Xenobiot. 2026, 16(1), 15; https://doi.org/10.3390/jox16010015 - 19 Jan 2026
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Background: Plasticisers with endocrine-disrupting potential are ubiquitous and associate with obesity and type-2 diabetes (T2D), with higher levels reported in the Middle East. However, no data exist on plasticiser exposure in Bahrain where T2D affects 15% of the national population. Methods: An observational
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Background: Plasticisers with endocrine-disrupting potential are ubiquitous and associate with obesity and type-2 diabetes (T2D), with higher levels reported in the Middle East. However, no data exist on plasticiser exposure in Bahrain where T2D affects 15% of the national population. Methods: An observational exploratory study in T2D (n = 60) and controls (n = 96), analysed for 24 h urinary plasticiser levels (liquid chromatography tandem mass spectrometry (LC-MS/MS)). Correlation and generalised linear model (GLM) analyses were employed to examine associations. Results: T2D were older (p < 0.001), had higher body mass index (BMI) (p < 0.001), body weight (p < 0.001) and glycosylated haemoglobin A1c (HbA1c) (p < 0.001). Correlation analysis revealed differences in inter-plasticiser, and plasticiser and biomarker relationships, with loss or reversal in T2D compared to controls. Mono-n-butyl phthalate (MnBP) levels were higher in T2D (p = 0.04); however, regression analysis revealed significant association with age. The GLM analyses demonstrated marked differences in the levels of mono(3-carboxypropyl) phthalate (MCPP), mono(2-ethyl-5-carboxypentyl) phthalate (MECPP), monoethyl phthalate (MEP) and bisphenol S (BPS), with lower levels in T2D versus controls (B = −3.41, p = 0.01; B = −5.28, p < 0.001; B = −8.94, p < 0.001; B = −6.09, p = 0.006, respectively); however, these contrasts appeared to be substantially confounded by BMI and/or age. Positive influence of age and negative influence of BMI when observed across the full dataset were generally reversed in T2D. Levels were complementary to those previously reported for the Middle East. Conclusions: The study indicates the phthalate levels in Bahrain are elevated though complementary to studies of phthalates in the Middle East; within those levels, the study indicates differential exposure–response relationships with plasticisers, influenced by age and BMI, in those with T2D compared to healthy controls.
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Urinary Metabolomics as a Window into Occupational Exposure: The Case of Foundry Workers
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Michele De Rosa, Silvia Canepari, Giovanna Tranfo, Ottavia Giampaoli, Adriano Patriarca, Agnieszka Smolinska, Federico Marini, Lorenzo Massimi, Fabio Sciubba and Mariangela Spagnoli
J. Xenobiot. 2026, 16(1), 14; https://doi.org/10.3390/jox16010014 - 15 Jan 2026
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Foundries represent complex exposure scenarios where metals, particulate matter, and combustion by-products coexist, posing potential cumulative biological effects. Urinary metabolic profiles from 64 foundry workers and 78 residents living in surrounding areas were investigated using multivariate statistical modeling. Differences in urinary metabolite patterns
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Foundries represent complex exposure scenarios where metals, particulate matter, and combustion by-products coexist, posing potential cumulative biological effects. Urinary metabolic profiles from 64 foundry workers and 78 residents living in surrounding areas were investigated using multivariate statistical modeling. Differences in urinary metabolite patterns were observed between the two groups, including lower levels of several amino acids (e.g., valine, alanine, tyrosine, and tryptophan) and tricarboxylic acid intermediates (e.g., citrate and succinate), together with higher levels of selected branched-chain amino acid catabolites (e.g., 3-hydroxyisobutyrate and erythro-2,3-dihydroxybutyrate) in workers. Variations in gut microbiota-related metabolites, such as phenylacetylglycine and p-cresol sulphate, were also detected. Based on these metabolic patterns, potential molecular mechanisms related to energy metabolism, oxidative stress and host–microbiome interaction are discussed as interpretative hypotheses. The comparison between workers and residents was interpreted, taking into account differences in demographic and lifestyle characteristics between groups. Overall, the results indicate that occupational exposure in foundries is associated with measurable differences in urinary metabolic profiles, demonstrating that the applied NMR-based metabolomic strategy is capable of capturing early biological effects and supporting its potential as a non-invasive and holistic biomonitoring tool for evaluating the health impact of complex occupational exposures.
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Carbonation of Calcined Clay Dolomite for the Removal of Co(II): Performance and Mechanism
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Can Wang, Jingxian Xu, Tingting Gao, Xiaomei Hong, Fakang Pan, Fuwei Sun, Kai Huang, Dejian Wang, Tianhu Chen and Ping Zhang
J. Xenobiot. 2026, 16(1), 13; https://doi.org/10.3390/jox16010013 - 13 Jan 2026
Abstract
The rising levels of Co(II) in aquatic environments present considerable risks, thereby necessitating the development of effective remediation strategies. This study introduces an innovative pre-hydration method for synthesizing carbonated calcined clay dolomite (CCCD) to efficiently remove Co(II) from contaminated water. This pre-hydration treatment
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The rising levels of Co(II) in aquatic environments present considerable risks, thereby necessitating the development of effective remediation strategies. This study introduces an innovative pre-hydration method for synthesizing carbonated calcined clay dolomite (CCCD) to efficiently remove Co(II) from contaminated water. This pre-hydration treatment successfully reduced the complete carbonation temperature of the material from 500 °C to 400 °C, significantly enhancing energy efficiency. The Co(II) removal performance was systematically investigated by varying key parameters such as contact time, initial Co(II) concentration, pH, and solid/liquid ratio. Optimal removal was achieved at 318 K with pH of 4 and a solid/liquid ratio of 0.5 g·L−1. Continuous flow column experiments confirmed the excellent long-term stability of CCCD, maintaining a consistent Co(II) removal efficiency of 99.0% and a stable effluent pH of 8.5 over one month. Isotherm and kinetic models were used to empirically describe concentration-dependent and time-dependent uptake behavior. The equilibrium data were best described by the Langmuir model, while kinetics followed a pseudo-second-order model. An apparent maximum removal capacity of 621.1 mg g−1 was obtained from Langmuir fitting of equilibrium uptake data. Mechanistic insights from Visual MINTEQ calculations and solid phase characterizations (XRD, XPS, and TEM) indicate that Co(II) removal is dominated by mineral water interface precipitation. The gradual hydration of periclase (MgO) forms Mg(OH)2, which creates localized alkaline microenvironments at particle surfaces and drives Co(OH)2 formation. Carbonate availability further favors CoCO3 formation and retention on CCCD. Importantly, this localized precipitation pathway maintains a stable, mildly alkaline effluent pH (around 8.5), reducing downstream pH adjustment demand and improving operational compatibility. Overall, CCCD combines high Co(II) immobilization efficiency, strong long-term stability, and an energy-efficient preparation route, supporting its potential for scalable remediation of Co(II) contaminated water.
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(This article belongs to the Special Issue Tracking the Environmental Fate of Heavy Metals: Migration, Accumulation, and Detection Techniques)
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Cross-Sectional Multicenter Biomonitoring Study on Genotoxicity and Oxidative DNA Damage in Oncology Healthcare Workers from Seven Italian Hospitals
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Cinzia Lucia Ursini, Giorgia Di Gennaro, Giuliana Buresti, Raffaele Maiello, Anna Maria Fresegna, Aureliano Ciervo, Marco Gentile, Virginia Di Basilio, Sabrina Beltramini, Daniela Gaggero, Nicoletta Rigamonti, Erica Maccari, Giorgia Zorzetto, Piera Maiolino, Pasquale Di Filippo, Maria Concetta Bilancio, Paolo Baldo, Valeria Martinello, Andrea Di Mattia, Chiara Esposito, Patrizia Nardulli, Mariarita Laforgia, Maria Vittoria Visconti, Matteo Vitali, Emanuela Omodeo-Salè and Delia Cavalloadd
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J. Xenobiot. 2026, 16(1), 12; https://doi.org/10.3390/jox16010012 - 13 Jan 2026
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Cancer cases have been estimated that will increase in the next years with consequent increase of antineoplastic (AD) drug treatments and workers handling these hazardous chemicals. We aimed to evaluate genotoxic/oxidative effects of AD exposure by fpg-comet assay on a large size sample
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Cancer cases have been estimated that will increase in the next years with consequent increase of antineoplastic (AD) drug treatments and workers handling these hazardous chemicals. We aimed to evaluate genotoxic/oxidative effects of AD exposure by fpg-comet assay on a large size sample of workers (214 exposed and 164 controls) involved in preparation; administration, including Hyperthermic intraperitoneal chemotherapy (HIPEC) and pressurized intraperitoneal aerosol chemotherapy (PIPAC); and disposal. With the final aim to identify suitable early biomarkers of genotoxic effect useful to health surveillance, we correlated fpg-comet assay (blood) and Buccal Micronucleus Cytome (BMCyt) assay data. Fpg-comet parameters resulted higher in the exposed group vs. controls, demonstrating direct and oxidative DNA damage in workers handling ADs. Fpg-comet direct DNA damage and genotoxic parameters of BMCyt assay demonstrated a weak statistically significant correlation. This cross-sectional study is one of the few available evaluating both direct and oxidative DNA damage due to ADs on a large sample size of workers and correlating fpg-comet and BMCyt assay results. It highlights the need to evaluate genotoxic effects by both the biomarkers and furnishes a contribution to their validation. Moreover, we demonstrate for the first time oxidative DNA damage on workers performing HIPEC and PIPAC administration.
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Experimental and In Silico Approaches to Study Carboxylesterase Substrate Specificity
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Sergio R. Ribone and Mario Alfredo Quevedo
J. Xenobiot. 2026, 16(1), 11; https://doi.org/10.3390/jox16010011 - 12 Jan 2026
Abstract
Human carboxylesterases (CES) are enzymes that play a central role in the metabolism and biotransformation of diverse endogenous substances and xenobiotics. The two most relevant isoforms, CES1 and CES2, are crucial in clinical pharmacotherapy as they catalyze the hydrolysis of numerous approved drugs
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Human carboxylesterases (CES) are enzymes that play a central role in the metabolism and biotransformation of diverse endogenous substances and xenobiotics. The two most relevant isoforms, CES1 and CES2, are crucial in clinical pharmacotherapy as they catalyze the hydrolysis of numerous approved drugs and prodrugs. Elucidating the structural basis of CES isoform substrate specificity is essential not only for understanding and anticipating the biological fate of administered drugs, but also for designing prodrugs with optimized site-specific bioactivation. Additionally, this knowledge is also important for the design of biomedically useful molecules such as subtype-targeted CES inhibitors and fluorescent probes. In this context, both experimental and computational methodologies have been used to explore the mechanistic and thermodynamic properties of CES-mediated catalysis. Experimental designs commonly employ recombinant CES or human tissue microsomes as enzyme sources, utilizing quantification methods such as spectrophotometry (UV and fluorescence) and mass spectrometry. Computational approaches fall into two categories: (1) modeling substrate: CES recognition and affinity (molecular docking, molecular dynamics simulation, and free-energy binding calculations), and (2) modeling substrate: CES reaction coordinates (hybrid QM/MM simulations). While experimental and theoretical approaches are highly synergistic in studying the catalytic properties of CES subtypes, they represent distinct technical and scientific fields. This review aims to provide an integrated discussion of the key concepts and the interplay between the most commonly used wet-lab and dry-lab strategies for investigating CES catalytic activity. We hope this report will serve as a concise resource for researchers exploring CES isoform specificity, enabling them to effectively utilize both experimental and computational methods.
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(This article belongs to the Topic Phase I and Phase II Xenobiotic-Metabolizing Enzymes: Structure, Function, and Regulation)
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Simulation of the Impact of Pesticides on Pollinators Under Different Conditions Using Correlation Weighting of Quasi-SMILES Components Together with the Index of Ideality of Correlation (IIC)
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Alla P. Toropova, Andrey A. Toropov, Sofia Mescieri, Alessandra Roncaglioni and Emilio Benfenati
J. Xenobiot. 2026, 16(1), 10; https://doi.org/10.3390/jox16010010 - 8 Jan 2026
Abstract
Background: Pesticide toxicity to insects is an important adverse effect with a potentially large ecological impact when considering the effect on beneficial insects, as pollinators. The assessment of this endpoint is necessary to avoid applying ecologically dangerous pesticides. Aim of the study:
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Background: Pesticide toxicity to insects is an important adverse effect with a potentially large ecological impact when considering the effect on beneficial insects, as pollinators. The assessment of this endpoint is necessary to avoid applying ecologically dangerous pesticides. Aim of the study: Assessment of the availability of the Monte Carlo method for the development of a model for toxicity (pLD50) towards bees and other pollinators. In addition, the index of ideality of correlation is examined as a possibility to increase the statistical quality of quantitative structure–activity relationships (QSARs) for the toxicity of pesticides to pollinators. Main results and novelty: models with good performance on the toxic effect of pesticides towards different pollinators, wrapping acute and chronic effects, using the Monte Carlo method for QSAR analysis.
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(This article belongs to the Special Issue Integrative Studies on Environmental Toxicity, Bioaccumulation and Remediation Strategies for Hazardous Substances, 2nd Edition)
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Cisplatin as a Xenobiotic Agent: Molecular Mechanisms of Actions and Clinical Applications in Oncology
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Monia Cecati, Valentina Pozzi, Veronica Pompei, Valentina Schiavoni, Stefania Fumarola, Alice Romagnoli, Giovanni Tossetta, Angelo Montana, Alessandro Polizzi, Davide Sartini and Roberto Campagna
J. Xenobiot. 2026, 16(1), 9; https://doi.org/10.3390/jox16010009 - 8 Jan 2026
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Cisplatin, a platinum-based compound, is a cornerstone of modern chemotherapy and remains widely used against a variety of solid tumors, including testicular, ovarian, lung, bladder, and head and neck cancers. Its anticancer activity is primarily attributed to the formation of DNA crosslinks, which
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Cisplatin, a platinum-based compound, is a cornerstone of modern chemotherapy and remains widely used against a variety of solid tumors, including testicular, ovarian, lung, bladder, and head and neck cancers. Its anticancer activity is primarily attributed to the formation of DNA crosslinks, which obstruct replication and repair, ultimately leading to apoptosis. However, the clinical value of cisplatin is constrained by two major challenges: its toxic profile and the development of resistance. Cisplatin toxicity arises from its interaction not only with tumor DNA but also with proteins and nucleic acids in healthy tissues, resulting in a range of adverse effects, including, but not limited to, nephrotoxicity, ototoxicity, neurotoxicity, and gastrointestinal injury. In pediatric patients, permanent hearing loss represents a particularly debilitating complication. On the other hand, tumor cells can evade cisplatin cytotoxicity through diverse mechanisms, including reduced intracellular drug accumulation, enhanced DNA repair, detoxification by thiol-containing molecules, and alterations in apoptotic signaling. These resistance pathways severely compromise treatment outcomes and often necessitate alternative or combination strategies. This review examines the chemical structure of cisplatin, the molecular mechanisms of cisplatin cytotoxicity and cisplatin-induced resistance, as well as the main applications in cancer management and the complications associated with its clinical use.
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Biodegradable Innovations: Harnessing Agriculture for Eco-Friendly Plastics
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Komal Pandey, Baljeet Singh Saharan, Yogender Singh, Pardeep Kumar Sadh, Joginder Singh Duhan and Dilfuza Jabborova
J. Xenobiot. 2026, 16(1), 8; https://doi.org/10.3390/jox16010008 - 6 Jan 2026
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Agricultural biomass has potential as a renewable and versatile carbon feedstock for developing eco-friendly and biodegradable polymers capable of replacing conventional petrochemical plastics. To address the growing environmental concerns associated with plastic waste and carbon emissions, lignocellulosic residues, edible crop by-products, and algal
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Agricultural biomass has potential as a renewable and versatile carbon feedstock for developing eco-friendly and biodegradable polymers capable of replacing conventional petrochemical plastics. To address the growing environmental concerns associated with plastic waste and carbon emissions, lignocellulosic residues, edible crop by-products, and algal biomass were utilized as sustainable raw materials. These biomasses provided carbohydrate-, lipid-, and lignin-rich fractions that were deconstructed through optimised physical, chemical, and enzymatic pretreatments to yield fermentable intermediates, such as reducing sugars, organic acids, and fatty acids. The intermediates were subsequently converted through tailored microbial fermentation processes into biopolymer precursors, primarily polyhydroxyalkanoates (PHAs) and lactate-based monomers. The resulting monomers underwent polymerization via polycondensation and ring-opening reactions to produce high-performance biodegradable plastics with tunable structural and mechanical properties. Additionally, the direct extraction and modification of naturally occurring polymers, such as starch, cellulose, and lignin, were explored to develop blended and functionalized bioplastic formulations. Comparative evaluation revealed that these biomass-derived polymers possess favourable physical strength, thermal stability, and biodegradability under composting conditions. Life-cycle evaluation further indicated a significant reduction in greenhouse gas emissions and improved carbon recycling compared to fossil-derived counterparts. The study demonstrates that integrating agricultural residues into bioplastic production not only enhances waste valorization and rural bioeconomy but also supports sustainable material innovation for packaging, farming, and consumer goods industries. These findings position agriculture-based biodegradable polymers as a critical component of circular bioeconomy strategies, contributing to reduced plastic pollution and improved environmental sustainability.
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A Review of the Literature on the Endocrine Disruptor Activity Testing of Bisphenols in Caenorhabditis elegans
by
Patrícia Hockicková, Alžbeta Kaiglová, Marie Korabečná and Soňa Kucharíková
J. Xenobiot. 2026, 16(1), 7; https://doi.org/10.3390/jox16010007 - 4 Jan 2026
Abstract
Endocrine disruptors, including bisphenol A, S, AF, and F, have been demonstrated to exhibit endocrine-disrupting activity. This phenomenon has been associated with a variety of health problems, including (but not limited to) neurological and reproductive disorders. Given the potential hazards, it is essential
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Endocrine disruptors, including bisphenol A, S, AF, and F, have been demonstrated to exhibit endocrine-disrupting activity. This phenomenon has been associated with a variety of health problems, including (but not limited to) neurological and reproductive disorders. Given the potential hazards, it is essential to have effective tools to assess their toxicity. The nematode Caenorhabditis elegans has become a widely used model organism for studying bisphenols because of its genetic simplicity and the conservation of its fundamental biological processes. This review article summarizes current knowledge of bisphenol toxicity and the use of the model organism C. elegans as a high-throughput system for investigating the toxicological profiles of BPA and its emerging alternatives. Furthermore, we highlight the specific methodologies for assessing the toxic effects of bisphenols in C. elegans. While highlighting its advantages, we critically discuss its limitations, including the absence of specific metabolic organs, which constrain direct extrapolation to mammalian systems. Based on available evidence, we conclude that C. elegans serves as an essential bridge between in vitro assays and mammalian models, offering a powerful platform for the early hazard identification and mechanistic screening of bisphenol analogues.
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(This article belongs to the Section Emerging Chemicals)
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Open AccessReview
Heracleum sosnowskyi Manden. in the Context of Sustainable Development: An Aggressive Invasive Species with Potential for Utilisation in the Extraction of Furanocoumarins and Essential Oils
by
Ekaterina Sergeevna Osipova, Evgeny Aleksandrovich Gladkov and Dmitry Viktorovich Tereshonok
J. Xenobiot. 2026, 16(1), 6; https://doi.org/10.3390/jox16010006 - 1 Jan 2026
Abstract
Heracleum sosnowskyi Manden., or H. sosnowskyi, of the Apiaceae was first cultivated in the USSR in 1947 as a potential fodder plant. Due to the development of cold-resistant cultivars and the characteristics of H. sosnowskyi, it quickly became feral. As a
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Heracleum sosnowskyi Manden., or H. sosnowskyi, of the Apiaceae was first cultivated in the USSR in 1947 as a potential fodder plant. Due to the development of cold-resistant cultivars and the characteristics of H. sosnowskyi, it quickly became feral. As a result, H. sosnowskyi began to spread as an aggressive invasive species in the 1970s and 1980s. By the 90s it had become an ecological disaster. As well as forming monocultures and displacing native species, H. sosnowskyi contains furanocoumarins, photosensitizing compounds that increase skin sensitivity to ultraviolet rays and cause severe burns. In addition, furanocoumarins have cytotoxic, genotoxic, mutagenic and estrogenic effects. H. sosnowskyi also contains essential oils, which are particularly active during flowering and can irritate the mucous membranes of the eyes and respiratory tract, as well as cause allergic reactions in the form of bronchospasm in people with asthma and hypersensitivity. When released in high concentrations, these biologically active compounds have an allelopathic effect on native plant species, displacing them and reducing biodiversity. As H. sosnowskyi is not native; the biologically active compounds it secretes have a xenobiotic effect, causing serious damage to the ecosystems it occupies. However, in parallel with these negative properties, furanocoumarins have been found to be effective in the treatment of cancer and skin diseases. Furanocoumarins possess antimicrobial antioxidant osteo- and neuroprotective properties. Essential oils containing octyl acetate, carboxylic acid esters, and terpenes can be used in the pharmaceutical industry as antiseptic and anti-inflammatory agents. Additionally, essential oils can be used as biofumigants and natural herbicides. A comprehensive approach allows H. sosnowskyi to be viewed in two ways. On the one hand, it is an aggressive alien species that causes significant damage to ecosystems and poses a threat to human health. On the other hand, it is a potentially valuable natural resource whose biomass can be used within the principles of the circular economy. It is hoped that the use of H. sosnowskyi for economic interests can be a partial compensation for the problem of its aggressive invasion, which is of anthropogenic origin.
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(This article belongs to the Section Natural Products/Herbal Medicines)
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Open AccessArticle
Chemical Intolerance Is Associated with Autism Spectrum and Attention Deficit Disorders: A Five-Country Cross-National Replication Analysis
by
Raymond F. Palmer and David Kattari
J. Xenobiot. 2026, 16(1), 5; https://doi.org/10.3390/jox16010005 - 1 Jan 2026
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Background: Chemical Intolerance (CI), Autism Spectrum Disorder (ASD) and Attention Deficit Hyperactive Disorder (ADHD) are conditions with rising incidence rates not fully explained by greater awareness or changes in diagnostic practices. It is now generally accepted that the interaction between genetic and environmental
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Background: Chemical Intolerance (CI), Autism Spectrum Disorder (ASD) and Attention Deficit Hyperactive Disorder (ADHD) are conditions with rising incidence rates not fully explained by greater awareness or changes in diagnostic practices. It is now generally accepted that the interaction between genetic and environmental exposures plays a role in all of these conditions. Prior studies show that these conditions co-occur. This study seeks to explore previous findings using an international sample. Methods: A five-country (N = 5000) stratified panel survey was used to assess self-reported CI in themselves, and ASD and ADHD in their children. A generalized linear model was used to estimate Odds Ratios. Age- and sex-adjusted logistic models used CI as a predictor of ASD and ADHD in separate models. Results: Compared to those classified as Low CI, High levels of CI were associated with greater Odds Ratios (OR) of reporting a child with ASD and ADHD in all countries except Japan. Italy, India, and the USA had over twice the OR of reporting a child with ASD. Mexico had over 1.9 times the OR. The results with ADHD are similar to the ASD results. Conclusions: The results of this study are consistent with two prior U.S. studies, showing an association between ASD and ADHD among women who have CI. However, cross-cultural comparisons, especially prevalence estimates for ASD and ADHD, cannot be interpreted as epidemiologic rates due to serious limitations of the survey methodology. No causal relationship should be inferred from this study.
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Open AccessArticle
Biomimetic Chromatography as a High-Throughput Tool for Screening Bioaccumulation and Acute Aquatic Toxicity of Pesticides
by
Krzesimir Ciura
J. Xenobiot. 2026, 16(1), 4; https://doi.org/10.3390/jox16010004 - 26 Dec 2025
Abstract
Modern pesticide risk assessment relies on data on bioaccumulation and acute aquatic toxicity, yet generating such data is labour-intensive and animal-demanding. This study evaluated whether phospholipid affinity of pesticides, quantified by the chromatographic hydrophobicity index CHIIAM obtained from high-throughput gradient biomimetic chromatography,
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Modern pesticide risk assessment relies on data on bioaccumulation and acute aquatic toxicity, yet generating such data is labour-intensive and animal-demanding. This study evaluated whether phospholipid affinity of pesticides, quantified by the chromatographic hydrophobicity index CHIIAM obtained from high-throughput gradient biomimetic chromatography, can serve as a surrogate descriptor of these endpoints. Nineteen pesticides representing different chemical and functional classes were analyzed on IAM.PC.DD2 columns, and CHIIAM values were determined. Bioconcentration factors (BCF) in fish and acute toxicity data (96 h LC50 for fish, 48 h EC50 for Daphnia magna) were retrieved from the Pesticide Properties DataBase. CHIIAM ranged from −12.1 to 54.8 and correlated strongly with log10BCF (r = 0.84) and log10LC50 in fish (r = −0.84), and moderately with log10EC50 for Daphnia (r = 0.76). Highly lipophilic pesticides with high CHIIAM showed elevated BCF and low LC50/EC50 values, whereas polar compounds with low CHIIAM exhibited negligible bioconcentration and low acute toxicity. Deviations from these trends, for compounds with specific modes of action, highlighted the contribution of mechanisms beyond membrane toxicity. Overall, CHIIAM measured under high-throughput conditions retains prognostic value for ecotoxicological assessment and may serve as a rapid experimental descriptor to support preliminary screening.
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(This article belongs to the Special Issue New Challenges in the Monitoring, Risk Assessment and Management of Pesticides and Biocides in the “One Health Era”)
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Determinants of Youth Exposure to Nicotine-Containing Aerosols: Findings from a College Survey
by
Chesmi Kumbalatara, Lindsey Johnson, Matthew MacArthur, Meungguk Park and Wasantha Jayawardene
J. Xenobiot. 2026, 16(1), 3; https://doi.org/10.3390/jox16010003 - 19 Dec 2025
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Electronic Nicotine Delivery Systems (ENDSs) expose users to nicotine, volatile organic chemicals, and ultrafine particles that pose emerging toxicological concerns for youth. The prevalence of vaping among college students quadrupled between 2017 and 2019. The Vaping Initiation, Continuation, Termination, or Resumption in Youth
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Electronic Nicotine Delivery Systems (ENDSs) expose users to nicotine, volatile organic chemicals, and ultrafine particles that pose emerging toxicological concerns for youth. The prevalence of vaping among college students quadrupled between 2017 and 2019. The Vaping Initiation, Continuation, Termination, or Resumption in Youth (VICTORY) study explored a random sample of 543 undergraduate students at a Midwestern university, using an anonymous online survey, for factors associated with initiation and regular inhalation of vape-derived aerosols. Results showed that 50% of participants had ever used a vape, and 67% had used tobacco, vape, or marijuana. The mean age of first use of tobacco was 15.16 years, significantly younger than the mean ages for vaping (16.33) and marijuana (16.60). There were no significant gender differences in ENDS use, although more males reported tobacco as their first substance (18% difference). Notably, 40% reported non-alcoholic substance or alcohol use in the past 30 days. Decision-tree analysis revealed complex relationships between vaping aerosols, tobacco, alcohol use, marijuana use, and living arrangements. Logistic regression identified key predictors of regular vaping, including higher school year, lower household income, employment status, and younger age at first use. These findings highlight the need for tailored public health interventions and continued monitoring to address the growing trend of youth vaping.
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Open AccessReview
Cancer and Environmental Xenobiotics: Mechanisms, Controversies, and Innovations
by
Alice N. Mafe and Dietrich Büsselberg
J. Xenobiot. 2026, 16(1), 2; https://doi.org/10.3390/jox16010002 - 19 Dec 2025
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Although cancer biology has advanced considerably, the impact of environmental toxins on carcinogenesis remains underrecognized and scattered across disciplines. Evidence increasingly shows that chronic exposure to a broad range of toxins—including persistent organic pollutants, heavy metals, pesticides, phthalates, microplastics, and fine particulate matter
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Although cancer biology has advanced considerably, the impact of environmental toxins on carcinogenesis remains underrecognized and scattered across disciplines. Evidence increasingly shows that chronic exposure to a broad range of toxins—including persistent organic pollutants, heavy metals, pesticides, phthalates, microplastics, and fine particulate matter (PM2.5), which significantly contributes to cancer initiation, progression, and treatment resistance. This review synthesizes mechanistic, molecular, and epidemiological findings from 2015 to 2025, identified through systematic searches of PubMed, Scopus, Web of Science, and MeSH. Key pathways include oxidative stress-mediated DNA damage, epigenetic reprogramming (DNA methylation, histone modifications, miRNA dysregulation), hormone receptor modulation, chronic inflammation, immune evasion, and tumor microenvironment remodeling. Case studies of benzene, arsenic, aflatoxins, pesticides, and microplastics detail exposure routes, molecular targets, and associated cancers, highlighting significant public health risks. Ongoing debates persist regarding safe exposure thresholds, latency periods, and the effects of mixed toxin exposures. The review also highlights recent innovations in environmental oncology, including AI-based predictive models, CRISPR screens for susceptibility genes, organoid/3D models, green chemistry interventions, and real-time exposure monitoring, which provide mechanistic insight and inform early detection and personalized prevention strategies. Additionally, regional data gaps, particularly in low- and middle-income countries, indicate the need for stronger interdisciplinary collaboration. By integrating molecular mechanisms, epidemiology, and technological advances, this review offers a comprehensive framework for understanding toxin-induced carcinogenesis and guiding future research, public health policy, and preventive strategies.
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