Journal of Xenobiotics最新文献

{"title":"Resorcinol and Related Simple Phenolic Compounds Increase Astrocyte Survival in a Glutamate-Induced Excitotoxicity Model.","authors":"José M Nájera-Maldonado, Paola Molina-Manzano, Eugenia Flores-Alfaro, Mónica Espinoza-Rojo, Isela Parra-Rojas, Patricia Alvarez-Fitz, Mónica Lamas, Ricardo Salazar, Mónica Ramírez","doi":"10.3390/jox16040142","DOIUrl":"10.3390/jox16040142","url":null,"abstract":"<p><p>Simple phenolic compounds can act as antioxidants or prooxidants depending on their structure and environmental conditions. Glutamate-induced excitotoxicity leads to neurodegeneration, astrocyte dysfunction, oxidative stress, and neuroinflammation. This study examined six phenolics: catechol, phloroglucinol, resorcinol, pyrogallol, hydroquinone, and hydroxyquinol, assessing their effects on astrocyte survival in a glutamate-excitotoxic model. Mouse astrocytes (C8-D1A) were exposed to 20 mM glutamate, with phenolics added before, during, or after treatment. Cell viability, morphology, nuclear condensation, ROS levels, and inflammatory cytokines were measured using the MTT assay, microscopy, CellROX, and RT-qPCR. Simultaneously, treatment improved astrocyte survival and preserved morphology, whereas pre- or post-treatment did not confer protection and worsened toxicity at higher doses. Resorcinol showed the strongest protective effect, followed by hydroxyquinol and hydroquinone at lower doses. Resorcinol and hydroxyquinol decreased ROS levels, whereas pyrogallol and hydroquinone increased cell survival without reducing ROS. All four lowered <i>IL-6</i> and <i>TNF-α</i>. These findings demonstrate that the effects of phenolics, whether protective or toxic, depend on concentration, structure, and timing, underscoring their dual role in excitotoxic environments. They also identify resorcinol as a promising candidate for further preclinical study.</p>","PeriodicalId":42356,"journal":{"name":"Journal of Xenobiotics","volume":"16 4","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13514331/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148833529","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Censored-Data-Aware Screening of Hazardous Metal(loid)s in Wild Mushrooms from Urban and Peri-Urban Green Spaces: Multielement Fingerprints and Adult Exposure Assessment.","authors":"Antonio Peña-Fernández, M Carmen Lobo, M Ángeles Peña Fernández, Guillermo Torrado Durán, Mark D Evans, Tiziana Sgamma, Tomás Cámara-Pastor, Gurminderjeet S Jagdev","doi":"10.3390/jox16040141","DOIUrl":"10.3390/jox16040141","url":null,"abstract":"&lt;p&gt;&lt;p&gt;Wild mushrooms collected from urban and peri-urban green spaces may represent environmentally exposed biological matrices for hazardous metal(loid)s, but their interpretation is complicated by taxonomic heterogeneity, tissue partitioning and left-censored analytical data. This study evaluated As, Be, Cd, Co, Cr, Cu, Mn, Ni, Pb, V and Zn in wild mushrooms from Leicester/Leicestershire, UK, using a reconstructed fruiting-body-level dataset designed to avoid double counting paired cap/stem records. The central question was whether taxon- and tissue-aware multielement profiling alters screening-level exposure interpretation compared with a pooled edible-relevant summary. In total, 121 fruiting-body-level units were evaluated on a dry-weight basis. Cu, Mn and Zn were detected in all units, while Cd and Pb were detected in 117/121 and 106/121 units, respectively. V, Cr and Ni were detected in 84/121, 70/121 and 64/121 units, whereas As, Co and Be showed substantial censoring. Be was not interpreted distributionally. Central concentrations selected under the censored-data framework were 1.856 mg kg&lt;sup&gt;-1&lt;/sup&gt; for Cd, 71.142 mg kg&lt;sup&gt;-1&lt;/sup&gt; for Cu, 14.318 mg kg&lt;sup&gt;-1&lt;/sup&gt; for Mn, 3.874 mg kg&lt;sup&gt;-1&lt;/sup&gt; for Ni, 2.171 mg kg&lt;sup&gt;-1&lt;/sup&gt; for Pb, 0.104 mg kg&lt;sup&gt;-1&lt;/sup&gt; for V and 97.506 mg kg&lt;sup&gt;-1&lt;/sup&gt; for Zn. Taxon-level profiles showed marked heterogeneity, and paired tissue analysis in &lt;i&gt;Agaricus bitorquis&lt;/i&gt; showed higher cap than stem concentrations for Cd, Cu, Pb and Zn. The primary PCA was restricted to well-detected elements (Cd, Cu, Mn, Pb, V and Zn), explaining 73.92% of total variance across the first three components. Sensitivity analyses showed that the overall PCA configuration remained stable across alternative treatments of censored observations and after exclusion of flagged extreme records, although some loading magnitudes showed moderate variation. Under the 300 g fresh-weight week&lt;sup&gt;-1&lt;/sup&gt; scenario, Cd represented 47.3% of the EFSA tolerable weekly intake of 2.5 µg kg&lt;sup&gt;-1&lt;/sup&gt; bw week&lt;sup&gt;-1&lt;/sup&gt; in the pooled edible-relevant population (&lt;i&gt;N&lt;/i&gt; = 43) and 50.9% in &lt;i&gt;Agaricus bitorquis&lt;/i&gt;; however, taxon-specific screening changed both the magnitude and ranking of the principal threshold-based drivers, with Cu becoming the leading driver for &lt;i&gt;Coprinopsis atramentaria&lt;/i&gt; and &lt;i&gt;Marasmius oreades&lt;/i&gt;. None of the primary or exploratory park-level soil-mushroom associations remained statistically significant after false-discovery-rate correction in the harmonised eight-park analysis. Overall, the findings partially support the working hypothesis: taxon- and tissue-aware profiling improved screening-level interpretation, whereas park-level soil context did not provide robust evidence of prediction or transfer. The fruiting-body-level, censored-data-aware framework provides a transparent basis for exposure screening, although uncertainties related to speciation, bioaccessibility, moisture assumptions and anal","PeriodicalId":42356,"journal":{"name":"Journal of Xenobiotics","volume":"16 4","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13514479/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148833152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Zirconium, Hafnium and Tellurium Signatures in Wild Mushrooms from Leicester and Leicestershire, England.","authors":"Antonio Peña-Fernández, Tomás Cámara-Pastor, M Ángeles Peña Fernández, M Carmen Lobo-Bedmar","doi":"10.3390/jox16040139","DOIUrl":"10.3390/jox16040139","url":null,"abstract":"<p><p>Zirconium (Zr), hafnium (Hf) and tellurium (Te) are environmentally and technologically relevant elements whose occurrence in wild macrofungi remains insufficiently characterised. This study investigated their concentrations, distribution and multielement relationships in wild mushroom fruiting bodies collected from urban and peri-urban green spaces in Leicester and Leicestershire, England, together with contextual topsoil geochemistry. Acid-recoverable concentrations were determined through inductively coupled plasma mass spectrometry in 121 fruiting-body-level mushroom units and 26 independent site-level composite topsoils. Zr and Hf were detected above their respective working limits of detection in all mushroom units and topsoil composites, whereas Te was detected in 118/121 mushroom units but remained below the working limit of detection in all topsoil composites. Median mushroom concentrations were 170 ng g^-1 dry weight for Zr, 270 ng g^-1 for Hf and 110 ng g^-1 for Te. Comparatively elevated concentrations were observed in <i>Panaeolina foenisecii</i> collected from Abbey and Braunstone Parks and in <i>Mycena citrinomarginata</i> from Victoria Park, while <i>Agaricus bitorquis</i> from St Augustine Road showed lower and less variable concentrations. Park-level concentrations were strongly correlated across the three elements (Spearman's <i>ρ</i> = 0.819-0.885; all BH-adjusted <i>q</i> < 0.001), and the first principal component accounted for 93.4% of the total variance, consistent with the strong inter-element correlations. However, contextual soil-mushroom comparisons for Zr and Hf were inconclusive because of limited site overlap and spatial mismatch, and no direct inference regarding environmental source or soil-to-mushroom transfer was supported. These findings establish an exploratory baseline for Zr, Hf and Te in wild mushrooms and demonstrate the value of taxon- and site-resolved fungal biomonitoring for under-characterised environmental elements.</p>","PeriodicalId":42356,"journal":{"name":"Journal of Xenobiotics","volume":"16 4","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13514944/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148832513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The JAK1 Inhibitor Upadacitinib Curbs Acute Liver Failure via Suppressing IFN-γ/JAK1/STAT1 and TNF-α/NF-κB/MAPK Pathways and Modulating Bax/Bcl-2 Ratio.","authors":"Abdulaziz F Alhussaini, Sara H Hazem, Eman A Saad, Mahmoud Elshal","doi":"10.3390/jox16040140","DOIUrl":"10.3390/jox16040140","url":null,"abstract":"<p><p>Acute liver failure (ALF) is a fulminant hepatic syndrome characterized by rapid hepatocellular destruction, severe impairment of liver function, and high mortality. Effective pharmacological interventions capable of limiting early hepatic injury remain lacking. Upadacitinib (UPA), a selective inhibitor for Janus kinase 1 (JAK1) with established anti-inflammatory activity, has not previously been investigated in experimental ALF. Consequently, the current study examined the hepatoprotective potential and underlying mechanisms of UPA in a lipopolysaccharide (LPS)/D-galactosamine (D-GalN)-induced ALF murine model. Mice were pretreated with UPA (10 or 20 mg/kg) prior to LPS/D-GalN challenge. UPA significantly attenuated liver injury, as demonstrated by marked reductions in serum ALT, AST, ALP, and γ-GT levels, together with substantial improvement in hepatic histopathology, attenuation of necroinflammation, and reduction in neutrophil accumulation. UPA also restored hepatic redox balance through reduction in lipid peroxidation and nitrosative stress, alongside enhancement of antioxidant capacity. Mechanistically, UPA suppressed IFN-γ/JAK1/STAT1 signaling and downregulated NF-κB p65 and inducible nitric oxide synthase (iNOS) expression, with subsequent reduction in hepatic TNF-α production. In parallel, UPA inhibited MAPK pathway activation, including ERK1/2, JNK, and p38 signaling. Moreover, UPA attenuated hepatocellular apoptosis through suppression of active caspase-3 and Bax expression with restoration of Bcl-2 levels. The 20 mg/kg dose consistently produced greater biochemical, molecular, and histopathological protection than the lower dose. In conclusion, UPA confers significant protection against LPS/D-GalN-induced ALF through coordinated suppression of oxidative stress, inflammatory signaling, and apoptosis, primarily associated with inhibition of the IFN-γ/JAK1/STAT1 and TNF-α/NF-κB/MAPK pathways and modulation of the Bax/Bcl-2 ratio, underscoring its viability as a promising therapeutic candidate for ALF.</p>","PeriodicalId":42356,"journal":{"name":"Journal of Xenobiotics","volume":"16 4","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13514836/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148833477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Oridonin Ameliorates Concanavalin A-Elicited Hepatitis in Mice: Insight into Suppressing TLR7/PKM2/NLRP3-Driven Inflammation and M1/M2 Polarization.","authors":"Saif Dhahir, Fatma M Amin, Manar A Nader","doi":"10.3390/jox16040138","DOIUrl":"10.3390/jox16040138","url":null,"abstract":"<p><p><b>Background:</b> Autoimmune hepatitis (AIH) represents a clinically challenging immune-mediated liver disease, owing to its complex pathogenesis and limited targeted therapeutic options. Growing evidence highlights the key role of lymphocyte-mediated hepatic inflammation, dysregulated cytokine milieu, and oxidative stress in AIH progression. Oridonin (ORI), a bioactive diterpenoid with well-established antioxidant, anti-inflammatory, and immunoregulatory effects, remains unexplored in AIH. The present work aims to survey the potential impacts of ORI in Concanavalin A (Con A)-prompted AIH in mice, with particular emphasis on TLR7/PKM2/NLRP3 inflammatory signaling and macrophage polarization. <b>Methods:</b> Male BALB/c mice (<i>n</i> = 30) were allocated into five groups: CTR group, ORI-CTR group, Con A group, ORI (5 mg/kg) + Con A group, and ORI (10 mg/kg) + Con A group. ORI was administered i.p. for 4 days before a single Con A injection (15 mg/kg i.v.). Serum liver enzymes, hepatic pathological changes, oxidative milieu, and varied immunological factors were assessed. <b>Results:</b> ORI markedly attenuated Con A-induced hepatic injury, as evidenced by the reduced liver transaminases, preserved hepatic architecture, and restored oxidative milieu. Moreover, ORI suppressed T-cell activation, modulated M1/M2 polarization, and reduced pro-inflammatory cytokines. These effects were accompanied by the suppression of TLR7/PKM2/NLRP3 inflammatory signaling. <b>Conclusions:</b> ORI exhibits hepatoprotective effects against Con A-induced AIH and these effects are associated with the modulation of inflammatory and immunometabolic responses as well as downregulating TLR7/PKM2/NLRP3 signaling.</p>","PeriodicalId":42356,"journal":{"name":"Journal of Xenobiotics","volume":"16 4","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13514674/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148833441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Emerging Environmental Toxicants Undermine Reproductive Success in Aquatic Animals: A Narrative Review.","authors":"Yuchen Du, Hua Chang, Qiuyue Wang, Yaqin Liang, Liqian Shang, Chun Yang, Ling Li, Xun Xiang","doi":"10.3390/jox16040137","DOIUrl":"10.3390/jox16040137","url":null,"abstract":"<p><p>Aquatic animals are increasingly exposed to complex mixtures of emerging environmental toxicants, including microplastics, nanoplastics, per- and polyfluoroalkyl substances (PFAS), and endocrine-disrupting chemicals (EDCs). This raises serious concerns for reproductive health, offspring survival rates, and long-term population stability. This narrative review synthesizes the available peer-reviewed evidence on the reproductive and developmental effects of these contaminant groups in aquatic animals. Growing evidence indicates that these contaminants adversely affect reproductive processes, impair offspring development, and reduce survival and fitness across a wide range of aquatic species. Their effects are mediated through interconnected pathways involving oxidative stress, endocrine disruption, inflammation, mitochondrial dysfunction, and epigenetic alterations, ultimately leading to reproductive and developmental abnormalities. These changes may weaken wild fish populations, reduce aquaculture productivity, and compromise aquatic biodiversity. However, interpretation of the available evidence is constrained by substantial heterogeneity in species, contaminant properties and concentrations, exposure durations, and reproductive endpoints, together with the predominance of laboratory-based single-contaminant studies. This review integrates current knowledge on the reproductive and developmental impacts of emerging contaminants by connecting mechanistic toxicity pathways with population-level and ecosystem consequences. Overall, this review emphasizes that protecting aquatic reproductive health requires an integrated framework linking contaminant monitoring, mechanistic biomarkers, reproductive performance, and ecosystem-level risk assessment.</p>","PeriodicalId":42356,"journal":{"name":"Journal of Xenobiotics","volume":"16 4","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13514258/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148833290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Inhaled Micro- and Nanoplastics as Environmental Modifiers of Lung Carcinogenesis: Mechanistic Insights and Evidence Synthesis.","authors":"Chrysa Andrikopoulou, Nikolaos E Koletsis, Vasileios Leivaditis, Francesk Mulita, Sofoklis Mitsos, Periklis Tomos, Ioannis Panagiotopoulos, Vasiliki Androutsopoulou, Marios G Kostakis, Nikolaos S Thomaidis, Efstratios Koletsis","doi":"10.3390/jox16040136","DOIUrl":"10.3390/jox16040136","url":null,"abstract":"<p><p>The exponential rise in global plastic production has resulted in the widespread environmental dissemination of micro- and nanoplastics (MNPs) across air, water, and biological systems. Inhalation of airborne MNPs represents a biologically plausible pathway of pulmonary exposure, particularly within indoor and occupational environments. Experimental evidence indicates that inhaled MNPs deposit within distal lung compartments, where their small aerodynamic diameter and surface reactivity may favor cellular uptake, oxidative stress induction, inflammatory activation, and prolonged biopersistence. Experimental studies further indicate that MNP exposure may induce DNA damage, chromosomal instability, and the dysregulation of signaling pathways involved in genomic integrity, thereby providing additional mechanistic support for their potential role in carcinogenesis. Chronic redox imbalance, macrophage dysfunction, inflammasome activation, epithelial-mesenchymal transition, and dysregulated cell adhesion collectively resemble mechanisms implicated in inflammation-associated carcinogenesis. Emerging in vitro and in vivo data further suggest that nanoplastics may function as tumor promoters or co-carcinogenic modifiers, particularly under chronic low-dose exposure or in combination with other airborne toxicants. However, human epidemiological evidence remains limited, and causality has not been established. This review synthesizes current mechanistic evidence regarding inhaled MNPs as potential modifiers of lung carcinogenesis, compares them with established inhaled carcinogens, and outlines critical research priorities necessary to clarify exposure-response relationships and clinical relevance. Current evidence supports biological plausibility rather than confirmed carcinogenic classification.</p>","PeriodicalId":42356,"journal":{"name":"Journal of Xenobiotics","volume":"16 4","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13514271/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148833375","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Incidental Changes in Urinary Lead Excretion Following Intra-Venous Ca-DTPA Administration in Patients Treated Primarily for Gadolinium Exposure.","authors":"Richard C Semelka, Miguel Ramalho","doi":"10.3390/jox16040135","DOIUrl":"10.3390/jox16040135","url":null,"abstract":"<p><p>Lead is a prevalent environmental pollutant and the heavy metal most frequently associated with toxic effects in humans. This study aimed to evaluate changes in urinary lead excretion following intravenous Ca-DTPA administration. We retrospectively included all patients treated at a medical clinic between January 2023 and March 2025 for suspected symptoms associated with gadolinium exposure who underwent intravenous Ca-DTPA chelation and had both pre- and post-chelation 24 h urine testing for 20 heavy metals. Urinary lead excretion was summarized using mean, standard deviation, median, and interquartile range, and non-parametric testing was applied because values were not normally distributed. A total of 63 participants were included, of whom 37 were female, with a mean age of 48.6 ± 12.5 years, ranging from 15 to 78 years. Median urinary lead excretion increased from 0.283 µg/24 h (IQR, 0.183-0.421) before treatment to 3.22 µg/24 h (IQR, 1.87-5.28) afterward (<i>p</i> < 0.001), corresponding to a median 11.8-fold increase. Participants aged ≥50 years had a higher median fold increase than younger participants (14.0 vs. 9.8; <i>p</i> = 0.003). All participants had detectable urinary lead levels, and intravenous Ca-DTPA administration was associated with a significant increase in urinary lead excretion. Older participants demonstrated greater lead mobilization and excretion than younger participants. These findings suggest that Ca-DTPA may reveal a mobilizable body burden of lead under the tested conditions, but they do not establish lead poisoning, reduction in total-body lead burden, symptom improvement, or long-term clinical benefit.</p>","PeriodicalId":42356,"journal":{"name":"Journal of Xenobiotics","volume":"16 4","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13514330/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148833410","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A DFT Perspective on Cd²⁺ Removal by CaCO₃/FAU Zeolite Frameworks: Bridging Theory and Experiment.","authors":"Ramon S da Silva, Mendelssolm K Pietre, Rodrigo G Amorim","doi":"10.3390/jox16040133","DOIUrl":"10.3390/jox16040133","url":null,"abstract":"<p><p>The efficient removal of toxic heavy metals from wastewater remains a critical environmental challenge. Faujasite (FAU) zeolite is highly effective for this purpose due to its high surface area, microporous structure, and exceptional ion exchange capacity. This study employs density functional theory (DFT) calculations to investigate the thermodynamics and geometry of Cd2+ capture by two distinct processes: (i) ion exchange and (ii) CaCO3/FAU adsorption. We systematically identify preferential binding sites and calculate binding energies for Cd2+ within the FAU framework. As a key result, the current theoretical modeling confirms previous experimental observations that dispersed CaCO3 units on the surface of faujasite enhance Cd2+ adsorption compared to aggregated units. The computed binding energies for the dispersed configuration range from -54 kcal/mol to -60 kcal/mol, depending on the number of CaCO3 units. These findings provide a fundamental theoretical perspective and represent a first step toward understanding Cd2+ removal by modified zeolites.</p>","PeriodicalId":42356,"journal":{"name":"Journal of Xenobiotics","volume":"16 4","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13514745/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148833236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Activated Sludge in the Bioremediation of Water Containing SARS-CoV-2 Antivirals.","authors":"Dora Lastovčić, Ivona Zirn, Tijana Jezerčić, Kristina Bule Možar, Luka Večenaj, Matija Cvetnić, Magdalena Ujević Bošnjak, Marinko Markić, Tomislav Bolanča, Šime Ukić, Dajana Kučić Grgić","doi":"10.3390/jox16040134","DOIUrl":"10.3390/jox16040134","url":null,"abstract":"<p><p>The increasing presence of SARS-CoV-2 antivirals (SASs) in wastewater threatens aquatic ecosystems, making it necessary to better understand their removal efficiency during biological treatment. This study evaluates the removal percentages, kinetic mechanisms, and toxicity profiles of six SASs, daclatasvir (DCV), darunavir (DRV), favipiravir (FAV), lopinavir (LOP), remdesivir (REM), and ritonavir (RIT), using activated sludge. A full factorial design combined with response surface methodology (RSM) was used to assess the impact of pH, temperature (<i>T</i>), and mixed liquor suspended solids (MLSS) on SAS removal and microbial stability. The results distinguished two dominant removal pathways. DCV and LOP were primarily removed by adsorption, whereas DRV, FAV, REM and RIT were predominantly removed through biodegradation involving enzymatic transformation and bacterial co-metabolism. RSM achieved a desirability score of 0.772 and identified the optimal operating conditions (pH = 6.08, MLSS = 4.41 g/L, and <i>T</i> = 44.99 °C), resulting in removal efficiencies above 93% for all compounds except DRV, which remained the limiting compound with a maximum removal efficiency of 66%. Perturbation analysis showed that all tested factors have a distinct influence on process performance. These established kinetic trends should support further investigations into advanced biological wastewater treatment methods and precise ecotoxicity profiling of emerging biotransformation products.</p>","PeriodicalId":42356,"journal":{"name":"Journal of Xenobiotics","volume":"16 4","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13514269/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148833198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}