Search Results (2,916)

A 2-acre reedbed system, cultivated with Phragmites australis, was established and utilized to remediate groundwater polluted with chlorinated hydrocarbons at a former industrial site. The reedbed comprised a combination of horizontal and vertical systems over four parallel installations, with a treatment capacity of 305 m³/day. The mean inlet concentration for the four-line treatment was 112.4 mg/L, which was below the specified inlet concentration of 250 mg/L. From 2019 to 2024, the reedbed system effectively eliminated 1,2-Dichloroethane (1,2-DCA), with average removal rates of 97.7%, 98.8%, 98.5%, and 98.6% for Lines 1 to 4, respectively. The average outlet concentrations of 1,2-DCA were 0.70 mg/L, 0.40 mg/L, 0.42 mg/L, and 0.52 mg/L for Lines 1–4, respectively, resulting in an overall average of 0.51 mg/L. We performed the assessment of natural attenuation by first-order decay kinetics for five groundwater monitoring wells, showing values between 0.0012/year and 0.0036/year (shallow wells), 0.0003/year and 0.0021/year (middle wells), and 0.0003/year and 0.0009/year (deep wells). Here, shallow groundwater showed the highest kinetic rates compared to middle and deep groundwater wells. The results indicated that the reedbed system removed the bulk of contaminants through active biological processes involving plants and microbes, and that natural attenuation further degraded 1,2-DCA in the groundwater profiles. Based on data monitoring from 2019 to 2024, the reduction and degradation results showed good removal efficiency for the reedbed systems, combined with natural attenuation in the groundwater. Full article

Chlorinated polyfluoroalkyl ether sulfonate (F-53B), a common substitute for perfluorooctane sulfonate (PFOS), exhibits similar environmental persistence and bioaccumulation potential, raising concerns about its ecological and health impacts. However, comprehensive toxicological data remain limited for adequate environmental risk assessment. In this study, we evaluated the developmental toxicity of F-53B using embryos/larvae of a commercially important benthic fish, blotched snakehead (Channa maculata). Embryos (<1 h post-fertilization, hpf) were exposed to various concentrations of F-53B (0.002, 0.02, 0.2, and 2 mg/L) for 120 h. Exposure resulted in concentration-dependent adverse effects, including reduced hatching success, increased mortality, and morphological malformations (yolk sac edema, spinal curvature). Histopathological analysis revealed substantial hepatic injury (vacuolization, nuclear pyknosis) and intestinal damage (villi atrophy) at higher concentrations (0.2 and 2 mg/L). Mechanistically, F-53B induced oxidative stress through inhibition of superoxide dismutase (SOD) and catalase (CAT), depletion of glutathione (GSH), and elevated malondialdehyde (MDA). Additionally, the observed immune dysregulation was characterized by the up-regulation of pro-inflammatory cytokines, including interleukin 1β (IL-1β), interleukin 8 (IL-8), and tumor necrosis factor-α (TNF-α), consistent with activation of the TLR-MAPK signaling pathway, and coincided with a shift from metabolic adaptation to pronounced inflammation. These integrated findings indicate that F-53B impairs early development in C. maculata through pathways involving oxidative damage, tissue injury, and immune disruption. This underscores the ecological risk F-53B poses to aquatic organisms and highlights the need for more comprehensive environmental risk assessment. Full article

To address the corrosion protection issues for hot components of high-end equipment in extreme service environments, the C276 alloy coating was deposited on the surface of 304 stainless steel via high-velocity air fuel (HVAF) spraying. The extreme conditions of 1000 °C temperature, an atmosphere containing 6% HCl, and a flow rate of 30 m/s were simulated in the study using a high-temperature airflow corrosion erosion device. The C276 coating and the 304 stainless steel substrates were subjected to a corrosion test for 25 min. The surface phase composition, element distribution, corrosion product characteristics, and cross-section structure of the samples before and after corrosion were systematically analyzed by means of a scanning electron microscope, an energy dispersive spectrometer, and an X-ray diffractometer. The mechanism of high-temperature chlorination corrosion was deduced through thermodynamic and kinetic analysis. The results show that compared with 304 stainless steel, the C276 alloy coating exhibits better corrosion resistance in an extremely high-temperature environment containing HCl, and the average weight gain and growth rate of the corrosion layer were lower. The main corrosion products on the C276 coating surface are Fe₂O₃, FeO, FeCl₂, NiO, and Cr₂O₃, among which the oxides of Ni and Cr form a continuous and dense protective oxide layer that effectively inhibits the intrusion of corrosive media. The high-temperature HCl corrosion follows the ‘chlorination–oxidation’ cycle mechanism, and Cl₂ plays a catalytic role in the reaction and accelerates the corrosion process. Full article

This study aimed to investigate the effects of sodium hypochlorite (NaClO) bleaching on the quality of Basa (Pangasius bocourti) fish maw (BFM) and the formation of semicarbazide (SEM). Production of SEM increased (p < 0.05) when NaClO concentration, soaking temperature, or duration were increased. Notably, increasing NaClO solution pH also enhanced SEM formation. Soaking BFM in NaClO with available chlorine concentrations of 500, 700, and 1000 mg/L generated 0.05, 0.07, and 0.09 μg/kg SEM at pH 3 compared to 0.70, 1.19, and 2.34 μg/kg SEM at pH 11, respectively. NaClO improved BFM texture by creating a tight, fibrous structure, but also damaged the secondary structure and α-chains of collagen. Untargeted metabolomics showed that NaClO treatment significantly upregulated lipid metabolism pathways (biosynthesis of unsaturated fatty acids, linoleic acid metabolism, and glycerophospholipid metabolism) and elevated degradation of arginine, proline, and urocanic acid. This was associated with the accumulation of nitrogen-containing precursors in the urea cycle, which then reacted with NaClO, generating substantial SEM. Controlled SEM-generating reactions experiments confirmed that SEM was produced from reaction of urea and NaClO. This study elucidates the mechanism of SEM formation and identifies key factors influencing SEM levels, thereby providing a theoretical foundation for safe processing and quality control of fish maw. Full article

The environmental concerns associated with the excessive use and improper disposal of plastic waste have led to increased interest in chemical recycling methods such as pyrolysis. In this study, waste plastic pyrolysis oil (WPPO) was evaluated as a potential feedstock to produce high-quality feedstock for lubricant base oils through hydroprocessing. WPPO was obtained via the thermal degradation of waste plastic at 400 °C under a nitrogen atmosphere using a 2 t/day pyrolysis reactor. The physicochemical properties of WPPO were analyzed, including the sulfur, chlorine, and metal contents. A series of Pt-supported catalysts based on different acidic supports (SAPO-11, SAPO-34, and Zeolite Y100) was prepared using an incipient wetness impregnation method and characterized by BET, XRD, and TPD techniques. The hydroprocessing reactions were conducted under varying temperature and pressure conditions to evaluate conversion and optimize product selectivity. The catalysts exhibited different surface areas, pore structures, and acidity profiles, which directly impacted their hydroprocessing performance. The results demonstrate that Pt/Y-100 exhibited the best upgrading performance among the tested catalysts, achieving an olefin-to-paraffin conversion of over 88.65% with a dominant paraffinic hydrocarbon distribution in the C15–C25 range under optimal conditions (300 °C and 40 bar). The results demonstrate that the conversion of olefins to paraffins in WPPO can be effectively controlled by tuning the reaction conditions and catalyst. Full article

The large-scale accumulation of titanium-extraction tailing slag (TS) poses environmental concerns, while its application is constrained by high impurity contents and low hydraulic reactivity, which is further exacerbated by the necessary dechlorination process. This study aims to evaluate the effectiveness of synthetic calcium silicate hydrate (C-S-H) nanocrystals in improving the performance of cement pastes incorporating deeply dechlorinated TS (DD-TS). To ensure uniform dispersion and activity, C-S-H seeds with varying crystallinities (55–94%) were prepared via a dynamic hydrothermal method (180 °C for 1–3 h) and incorporated into the composite binder in a wet-powder form at dosages of 0.5–2.0%. Results indicate that C-S-H-1, with the lowest crystallinity, offered the highest efficiency. At 1.5% dosage, the 1 d compressive strength increased by 64.6% to 18.6 MPa, while the initial setting time decreased by approximately 40%. Microstructural analyses reveal that poorly crystalline C-S-H provides abundant nucleation sites, accelerating early hydration and densifying the matrix to levels comparable to 7 d control pastes. These findings demonstrate the potential of C-S-H seeding for enhancing the utilization of DD-TS in cement-based materials. Full article

Hyperspectral imagery provides detailed insights for vineyard vegetation assessment, enabling improved pesticide management within precision agriculture. For this reason, the dataset presented here includes hyperspectral images acquired from grapevine leaves treated with two copper-based formulations: ZZ Cuprocol (containing 70% w/v copper oxychloride) and Cuprantol Duo (composed of 14% w/w copper oxychloride and 14% w/w copper hydroxide). In addition, a commonly used contact pesticide in both intensive and traditional viticulture, Folpet—free of copper but containing sulfur and chlorine—was also evaluated in its commercial formulation Vitipec Azul (Cimoxanil 6% w/w, Folpet 37.5% w/w, Ascenza, Portugal). For each product, six different dilution levels were prepared along with a distilled water control. Leaf samples were collected and analyzed during the 2023 growing season from three shoot locations (basal, middle, and apical) and from both orientations of the vine canopy: east and west. Following pesticide treatment, leaf hyperspectral images were captured using a 300-band Pika L camera (Resonon, Bozeman, MT, USA), mounted on a mechanical scanning platform synchronized with the imaging system. Full article

Fly ash (FA) captures most mercury (Hg) in the waste stream during municipal solid waste incineration (MSWI), and the content and speciation of Hg in MSWI fly ash (MSWI-FA) have a significant impact on the ecological environment. In this study, 245 fly ash samples were collected from 18 MSWI facilities in Guizhou Province, a fragile karst area with a high Hg background in Southwest China. The results indicate that total Hg ranged from 0.52 to 444 mg/kg among samples, while the geometric means varied from 0.85 to 223.33 mg/kg for different incinerators, with a weighted geometric mean of 22.14 mg/kg, more than double the national average. Substantial temporal variability in Hg content suggested intermittent inputs of Hg-rich waste into the MSW stream. While positive correlations (p < 0.05) were observed between Hg and chlorine, potassium, and cadmium, the moderate to low R² values indicate that Hg enrichment is a complex multi-factor system influenced by heterogeneous waste compositions and transient thermochemical conditions. Speciation analysis revealed that most of the Hg exists in its elemental form (F4), constituting over 80% of the total Hg. However, the water-soluble fraction (F1) and the ion-exchangeable fraction (F2) each reached up to 26–29% in some samples, indicating substantial environmental mobility. These findings demonstrate that MSWI-FA in Guizhou contains elevated Hg levels, posing considerable ecological and environmental risks. Enhancing the classification and management of Hg-containing waste in MSW is critical to mitigating the environmental risks of fly ash, particularly in karst ecological areas. Full article

The complex contamination characteristics and potential health risks of polycyclic aromatic hydrocarbons (PAHs) and their derivatives remain poorly understood. In this study, a comprehensive analysis of 16 parent PAHs and 34 derivatives was conducted in outdoor dust samples collected from a residential area constructed on an abandoned petrochemical site. The results showed that the total concentrations of PAHs, oxidized PAHs, nitro-PAHs, brominated PAHs, and chlorinated PAHs were in the ranges of 75.3–991 ng/g, 9.27–142 ng/g, 1.68–265 ng/g, 15.2–100 ng/g, and 1.23–14.8 ng/g, respectively. Additionally, the non-target screening analysis identified 29 potential aromatic compounds in dust samples. Toxicity assessment indicated that several PAH derivatives and newly identified compounds exhibited stronger acute toxicity than PAHs (ECOSAR model prediction). Incremental lifetime cancer risk (ILCR) values of target compounds ranged from 1.54 × 10⁻⁷ to 2.95 × 10⁻⁶ for adults and from 5.08 × 10⁻⁸ to 9.75 × 10⁻⁷ for children. Oral ingestion was identified as the dominant exposure pathway, accounting for 83.5% of total exposure, followed by dermal contact (16.5%). Overall, these findings highlight the complexity of human exposure to PAHs and related aromatic contaminants in petrochemical-impacted residential areas and underscore the need for continued attention to their associated environmental and health risks. Full article

This paper presents the results of a laboratory-based treatability study conducted for a confidential former wood treating site heavily impacted by a creosote non-aqueous-phase liquid (NAPL) containing pentachlorophenol (PCP). PCP impacts in the silty sands extended to approximately 33 ft (10 m) below the ground surface (bgs), with discrete soil samples containing PCP concentrations up to 14,500 mg/kg, and groundwater PCP concentrations forming a main plume exceeding 1 mg/L over 2.16 acres (0.87 ha). Treatability testing was performed on unspiked and NAPL-spiked site soils with total PCP concentrations ranging from 10 to 100 mg/kg, respectively, and leachable PCP concentrations of approximately 3 to 8 mg/L. Stabilization/solidification (S/S) mix designs using 5 to 10 weight percent (wt%, dry-reagent-to-wet-soil mass basis) of a Portland cement (PC) blend and 1 wt% powdered bentonite met the minimum unconfined compressive strength (UCS) and maximum hydraulic conductivity (K) performance criteria of 50 lb/in2 (345 kPa) and 1 × 10⁻⁶ cm/s, respectively, within the specified 28-day cure time. Long-term semi-dynamic leach testing was performed on S/S-treated soils using a modified United States Environmental Protection Agency (EPA) Method 1315 test incorporating a polydimethylsiloxane (PDMS) liner to improve the data reliability for hydrocarbons. Results showed that adding 1 wt% organoclay (OC) to the S/S mix designs did not substantially reduce leaching of common semi-volatile organic compounds (SVOCs) such as naphthalene, acenaphthene, phenanthrene and benzo(a)anthracene compared to mixes using only the PC blend with bentonite, consistent with previous studies. However, the inclusion of OC had a decisive effect on PCP immobilization, providing an order-of-magnitude (10×) reduction in the cumulative mass release of PCP over the test duration. This benefit diminished with decreasing degree of chlorination for other phenolic compounds. Full article

The study aimed to verify the possible use of DFT calculation in the prediction of the orientation in electrophilic aromatic substitution. An activated ortho/para orienting substrate, and a deactivated meta orienting substrate, were used in DFT calculations using B3LYP, B3PW91, BPV86, CAM-B3LP, HCTH, HSEH1PBE, LSDA, MPW1PW91, PBEPBE, TPSSTPSS, and WB97XD functionals. The results showed that the reactivity of anisole can be adequately described considering charge control in reaction performed in hard conditions (nitration), while frontier orbital control can play a role in reactions performed in softer conditions (chlorination). Nitration of benzaldehyde can be rationalized through Hirshfeld charges analysis. Neither the frontier orbital nor Mulliken charges approach adequately account for behavior observed in chlorination of benzaldehyde. The effect of different basis sets was tested performing calculations with B3LYP functional and aug-cc-pVDZ, 6-311G+(d,p), aug-cc-pVQZ, DGTZVP, and LanL2DZ basis sets. For anisole, all basis sets provided a HOMO electron density distribution consistent with experimental reactivity; Hirshfeld charges analysis consistently reproduced the observed reactivity of anisole across all tested basis sets. All the basis sets were able to explain the observed reactivity of benzaldehyde in hard experimental condition, while they failed to give a correct description when a softer reagent was used. Full article

This comprehensive review provides a consolidated and practically oriented overview of the Friedel–Crafts reaction in pharmaceutical synthesis, bringing together data from 93 peer-reviewed studies published between 1962 and 2025. Through a structured and comparative analysis of the literature retrieved from the Scopus and PubMed databases, this work integrates scattered information into a single, accessible resource, designed to guide researchers in drug discovery and development. The findings identify alkylation and acylation as the dominant Friedel–Crafts transformations, often enabling the synthesis of pharmacologically relevant scaffolds depending on substrate structure and the efficiency and selectivity of the catalytic system. These include compounds with anticancer, anti-inflammatory, and antimicrobial potential. Trends in catalyst and solvent selection highlight both the persistent reliance on classical Lewis acids in chlorinated media and a gradual interest in more sustainable alternatives, although their adoption remains system-dependent. By consolidating 63 years of research into a unified reference, this review underscores the versatility and enduring relevance of Friedel–Crafts methodologies in medicinal chemistry but also offers a data-driven foundation for their optimized and more sustainable application in future pharmaceutical development. Full article

Halogens, particularly fluorine, chlorine, and bromine, play a pivotal role in modern drug discovery and development. Their incorporation into drug molecules significantly influences physicochemical properties, including lipophilicity, metabolic stability, and target binding affinity. Fluorine, the most commonly used halogen, enhances bioavailability and receptor interactions, as seen in several blockbuster drugs. Chlorine and bromine contribute to hydrophobic interactions and modulate pharmacokinetics, while iodine is less frequently utilized due to its larger atomic size and reactivity. The strategic placement of halogens in drug scaffolds has led to the success of numerous FDA-approved pharmaceuticals across therapeutic areas, including oncology, infectious diseases, and central nervous system disorders. This review explores the structure–activity relationships (SAR) of halogen-containing drugs, highlighting recent approvals (2025), their synthesis (with yields, when available), therapeutic use, and, when experimentally available, the interaction with their biological target macromolecules. Full article

The development of low-temperature, high-efficiency catalysts for the catalytic elimination of chlorinated volatile organic compounds (CVOCs) remains a significant challenge. Investigating the influence mechanism of catalyst physicochemical properties on chlorobenzene oxidation performance and degradation pathways is particularly important. CuO/WO₃ catalysts were developed using a hydrothermal method in this work. The effects of simultaneous or separate addition of ammonium sulphate and ammonium persulphate on the catalytic performance of the CuO/WO₃ series catalysts were investigated. The results showed that the introduction of ammonium sulphate alone can facilitate the formation of CuWO₄, thereby increasing the chemisorbed oxygen concentration of the CuO/WO₃, and making the overall structure of the catalyst looser and increasing the active sites on the catalyst surface. As the optimal catalyst, CuO/WO₃-2 exhibited 55.9% of chlorobenzene conversion and 32.9% of CO₂ selectivity at 500 °C. Interestingly, although the surface acidity in this work seemed to be one of the reasons for promoting the chlorobenzene oxidation, it could be clearly found that the strong solid acidity of WO₃ was actually a key factor in inhibiting the chlorobenzene oxidation. Finally, based on in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) analysis, the primary mechanism for chlorobenzene oxidation on CuO/WO₃ catalysts proceeds through a sequential conversion: chlorobenzene was first transformed into phenolic intermediates, followed by quinone compounds, maleates, aldehydes, bidentate carbonates, and ultimately carbonate species. Full article

Hospital wastewater (HWW) carries a high and variable burden of pathogenic microorganisms, along with a diverse spectrum of emerging contaminants, such as pharmaceutically active compounds (PhACs) and antimicrobial resistance (AMR) determinants, posing significant challenges to conventional municipal treatment systems. The COVID-19 pandemic intensified the global use of disinfection technologies for infection control, inadvertently leading to the generation and release of novel classes of disinfection by-products (DBPs) and transformation products (TPs). These emerging by-products, alongside the persistent release of pharmaceuticals and AMR elements, have exposed critical limitations in conventional and advanced disinfection processes when applied to such complex matrices. This review synthesizes recent literature on disinfection-oriented advanced treatment strategies and other contaminants of emerging concern in hospital effluents worldwide. The discussed technologies include chlorine-based disinfection (e.g., free chlorine and chlorine dioxide), ozonation, ultraviolet irradiation (UV), electrochemical disinfection (ECD), nanomaterial-enabled disinfection, and combined multi-barrier schemes. While real-time monitoring of key compounds in HWW is increasingly feasible, critical bottlenecks remain: culture-based indicators may underestimate viable but non-culturable populations, molecular assays quantify genes without directly reflecting infectivity or transfer potential, and complex matrices hinder methodological harmonization. Future efforts should prioritize risk-based multi-barrier design, activity-informed monitoring, and intelligent process control to achieve robust co-mitigation of pathogens, PhACs, and AMR while minimizing disinfection by-products (DBPs) and life-cycle energy consumption. Full article