Search Results (38)

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

Molecularly imprinted polymers (MIPs) are promising sorbents for selectively capturing pharmaceutically active compounds (PhACs), but design remains slow because candidate screening is largely experimental or based on computationally expensive methods. We present MIP–PhAC, an open, curated resource of polymer–pharmaceutical interaction energies generated from molecular dynamics (MD) followed by MM/PBSA analysis, with a small DFT subset for cross-method comparison. This resource is comprised of two complementary datasets: MIP–PhAC-Calibrated, a benchmark set with manually verified pH-7 microstates that reports both monomeric (pre-polymerized) and polymeric (short-chain) MD/MMPBSA energies and includes a DFT subset; and MIP–PhAC-Screen, a broader, high-throughput collection produced under a uniform automated workflow (including automated protonation) for rapid within-polymer ranking and machine learning development. For each MIP—PhAC pair we provide ΔG* components (electrostatics, van der Waals, polar and non-polar solvation; −TΔS omitted), summary statistics from post-convergence frames, simulation inputs, and chemical metadata. To our knowledge, MIP–PhAC is the largest open, curated dataset of polymer–pharmaceutical interaction energies to date. It enables benchmarking of end-point methods, reproducible protocol evaluation, data-driven ranking of polymer–pharmaceutical combinations, and training/validation of machine learning (ML) models for MIP design on modest compute budgets. Full article

Catalytic ozonation has been widely utilized in environmental applications, such as the removal of pharmaceutical active compounds (PHACs) from wastewater, due to its outstanding catalytic efficiency. To further enhance its performance and expand its practical application, ozone-based hybrid processes have been investigated, including ultraviolet radiation/ozonation, hydrogen peroxide/ozonation, ultrasonication/ozonation, and biological treatment/ozonation. Ozone degrades pollutants via two primary pathways: direct oxidation (via molecular ozone) and indirect oxidation (via reactive intermediates). Enhancing ozone decomposition into various reactive oxygen species (ROS), predominantly hydroxyl radicals, can significantly augment the degradation efficiency of pollutants. The surface adsorption and electron transfer processes of catalysts can promote ozone activation and decomposition into ROS to achieve the efficient degradation and mineralization of pollutants. Among catalysts, Mn-based catalysts have been extensively studied in past research. They have demonstrated exceptional performance when combined with other metals, such as Mn/Ce, Mn/Fe, and Mn/Co, etc., due to synergistic effects arising from bimetallic interactions. The inherent characteristics of catalyst supports may also influence the generation process of ROS. Choosing an appropriate support is conducive to promoting the uniform distribution of catalytic active sites on the catalyst surface and avoiding the agglomeration of metal particles, and it is also beneficial for the recovery and reuse of the catalyst. Furthermore, coupling catalytic ozonation processes with techniques like high-gravity technology, jet reactor systems, and micro–nano-bubbles can improve the utilization efficiency of ozone by exploiting gas cavitation effects. In this paper, we summarize the research progress in the degradation of PHACs using catalytic ozonation and discuss strategies for improving the mass transfer efficiency of ozone in water. Finally, the challenges and opportunities associated with applying catalytic ozonation in practical applications are also discussed. Full article

Pharmaceutically active compounds (PhACs), pesticides, and poly- and perfluoroalkyl substances (PFAS) are increasingly detected in surface waters at trace concentrations, raising concerns for both aquatic systems and, consequently, human health. Conventional solutions are insufficient to achieve complete removal at trace compound concentrations, highlighting the need for advanced separation technologies. This study aims to comprehensively analyze rejection and removal mechanisms of selected PhACs, pesticides, and PFAS present in water solutions at reported environmentally relevant concentrations (300 ng L⁻¹), using two nanofiltration (NF) and one reverse osmosis (RO) polyamide membrane. PhACs, pesticides, and PFAS were selected to cover a broad range of physicochemical properties, specifically molecular mass (MM), dissociation constant (pKa), and octanol–water partition coefficient (logK_o/w). Rejection values ranged from 42.1% (acetaminophen) to apparent 100% (for multiple compounds), depending on water pH, solute properties, and membrane characteristics. Size exclusion and electrostatic interactions were identified as the primary removal mechanisms, with hydrophobic interactions having a lower impact, particularly for carbamazepine, bezafibrate, and perfluorooctane sulfonic acid (PFOS). Addition of sodium chloride (3 g L⁻¹) decreased rejection of most negatively charged compounds due to suppression of membrane surface charge, although clarithromycin and ofloxacin exhibited improved rejection. Presented results provide fundamental insight into compound-specific membrane rejection and highlight the importance of membrane–solute interactions under environmentally realistic conditions. The results support further optimization of NF and RO for targeted compound rejection and provide a baseline for data-driven membrane process modeling. Full article

The widespread presence of pharmaceutical active compounds (PhACs) in aquatic environments raises significant environmental and public health concerns, particularly through their accumulation in marine biota and potential transfer to humans via seafood. In aquaculture, fish feed is essential for production but may also act as a pathway for contaminants in the marine environment. This study aimed to develop and validate an analytical method for the extraction and quantification of 14 antibiotics and ethoxyquin antioxidant in fish tissue and feed. Two QuEChERS-based extraction protocols were compared: the AOAC 2007.01 method (Method A) using Z-Sep⁺ as clean-up, and the original QuEChERS method (Method B) employing Enhanced Matrix Removal (EMR)-lipid. Ultra-performance liquid chromatography coupled with Orbitrap mass spectrometry using electrospray ionization in positive and negative mode was applied for identification and quantification. Validation included assessment of recovery, linearity, precision, limits of detection and quantification, uncertainty, matrix effects, and process efficiency. Both methods showed good linearity (R² > 0.9899) and precision (<19.7%). Method B achieved superior recoveries for most analytes in both fish tissue (70–110%) and feed (69–119%), with lower uncertainties (<18.4%) compared to Method A. Overall, the original QuEChERS method demonstrated better analytical performance, supporting its application as a green, robust tool for monitoring emerging contaminants in aquaculture products. Full article

The results from previous environmental studies on the physicochemical properties of bottom sediments from the Odra River estuary (SW Baltic Sea) and their contamination by pharmaceutically active compounds (PhACs) were compiled and analyzed by the use of various statistical methods (Principal Component Analysis, ANOVA/Kruskal–Wallis, Spearman correlation analysis, Partial Least Squares Discriminant Analysis, and Cluster Analysis). These studies included data on 130 PhACs determined in sediment samples collected from 70 sites across the Odra River estuary as well as the site distance to wastewater treatment plant discharge, PhACs’ physicochemical properties (Kd, Kow, pKa, solubility, metabolism), and sales data. Additionally, total organic carbon, total nitrogen, total phosphorus, acid volatile sulfides, clay mineral content, and trace elements such as As, Ba, Cd, Co, Cr, Cu, Fe, Hg, Mn, Mo, Ni, Pb, Sn, and Zn were analyzed. Clay mineral content and TP were identified as the key physicochemical factors influencing the spatial distribution of PhACs in bottom sediments, exerting a greater impact than the distance of sampling sites from WWTP discharge points. The distribution of PhACs in the estuary was also influenced by the Kd and solubility of the compounds. More soluble pharmaceuticals with low adsorption affinity to sediments were detected more frequently and transported to distant locations, whereas less soluble compounds with high adsorption affinity settled down in bottom sediments near contamination sources. Neither the proportion of a drug excreted unchanged, nor its prescription frequency and sales volume, influenced the spatial distribution of PhACs. In general, Kd may be a useful parameter in the planning of environmental monitoring and tracing migration of PhACs in aquatic environments. Full article

The increasing use of pharmaceutically active compounds (PhACs), endocrine-disrupting compounds (EDCs), and personal care products (PCPs) has led to the widespread presence of organic micropollutants (OMPs) in aquatic environments, posing a significant global challenge for environmental conservation. In recent years, advanced materials-based nanofiltration (NF) technologies have emerged as a promising solution for water and wastewater treatment. This review begins by examining the sources of OMPs, as well as the risk of OMPs. Subsequently, the key criteria of NF membranes for OMPs are discussed, with a focus on the roles of pore size, charge property, molecular interaction, and hydrophilicity in the separation performance. Against that background, this review summarizes and analyzes recent advancements in materials such as metal organic frameworks (MOFs), covalent organic frameworks (COFs), graphene oxide (GO), MXenes, hybrid materials, and environmentally friendly materials. It highlights the porous nature and structural diversity of organic framework materials, the advantage of inorganic layered materials in forming controllable nanochannels through stacking, the synergistic effects of hybrid materials, and the importance of green materials. Finally, the challenges related to the performance optimization, scalable fabrication, environmental sustainability, and complex separation of advanced materials-based membranes for OMP removal are discussed, along with future research directions and potential breakthroughs. Full article

Sample pretreatment is one of the most important steps in guaranteeing the success of a chromatographic analysis. The selected methodology must ensure simultaneously that a sample is “clean” enough for analysis and that the target analytes are not removed in the process. This can be especially difficult when working with complex matrices such as natural waters and wastewater. For pharmaceutical active compounds (PhACs) analysis by solid-phase extraction (SPE) followed by ultra-high performance liquid chromatography coupled to tandem mass spectrometry (UPLC-MS/MS), and due to the high level of organic matter in wastewater, the water samples are filtered consecutively through three filters, a paper filter, a glass microfiber filter of 1 µm, and a Nylon filter of 0.45 µm. This filtration allows the sample’s passage through the SPE cartridge to be faster, and there is no cartridge clogging, allowing for greater efficiency in the adsorption process. The big question is whether the PhACs are eliminated during filtration, since they may be adsorbed to organic matter. This work aimed to determine if the best approach for quantifying PhACs in wastewater and surface waters would be to filter them prior or to perform SPE directly. Both approaches analyzed a total of 26 PhACs. Turbidity (TUR) and permanganate index (PI) were determined, and their values were high for samples with a high organic matter content. A statistical analysis was performed to determine the best approach to treat these water samples and whether any correlation existed between PhAC concentrations, PI, and TUR. The PhAC quantification shows a positive correlation with TUR and a negative correlation with PI for most of the target PhACs. However, there are not significantly different results for filtered and not-filtered wastewater samples. Full article

Trace organic contaminants (TrOCs), including pharmaceutically active compounds (PhACs), present significant challenges for conventional water treatment processes and pose potential risks to environmental and human health. To address these issues, nanofiltration (NF) and reverse osmosis (RO) membrane technologies have gained attention. This study aims to evaluate the performance of NF and RO membranes in removing TrOCs from wastewater and develop a predictive model using the Solution Diffusion Model. Experiments were conducted using a stirred cell setup at various target concentrations, stirring speeds, and operating pressures, with acetaminophen and caffeine selected as representative pharmaceutical compounds. The results demonstrated that most of the pharmaceutical compounds were effectively removed, showing excellent performance. NF membranes exhibited high permeate flux with somewhat lower removal efficiency (average 84.17%), while RO membranes demonstrated high removal efficiency (average 99.21%), highlighting their importance in trace pharmaceutical treatment. The predictive model based on the solution diffusion model correlated well with the experimental data, suggesting its potential utility for large-scale system applications. This study confirms that NF and RO membranes are effective technologies for the removal of TrOCs from wastewater, offering a promising solution to the challenges posed by trace pharmaceutical contaminants. Full article

Contamination of marine ecosystems by pharmaceutically active compounds (PhACs) deserves more research since their environmental fate differs from that observed in freshwater systems. However, knowledge remains scarce, especially in semi-arid coastal regions of the Global South. This study investigates the occurrence and distribution of caffeine, carbamazepine, ciprofloxacin, and sulfamethoxazole in sediments from the La Paz lagoon, a coastal system in a semi-arid region of Mexico with inverse estuarine conditions. Samples of superficial sediments (0–5 cm depth) were collected from 18 sampling points distributed through the lagoon, encompassing sites heavily polluted by discharges of municipal sewage and 3 potentially pristine sites far from the urban and peri-urban zones. Also, a 25 cm length sediment core was taken and divided into 1 cm sub-samples to determine the deposition of target PhACs in the sediment bed through time. The extraction of the target PhACs was performed through the accelerated solvent extraction (ASE) technique and quantification was achieved using a validated HPLC-MS/MS analytical method. The concentration of caffeine, carbamazepine, ciprofloxacin, and sulfamethoxazole in superficial sediment oscillated in the range of 1 to 45 ng g⁻¹ (dry weight). The highest mass fraction of target PhACs was detected in sites impacted by wastewater discharges. The caffeine-to-carbamazepine ratio was determined for the first time in marine sediments impacted by wastewater discharges, resulting in values from 4.2 to 9.12. Analysis of the 25 cm length sediment core revealed a high dispersion of caffeine, which was attributed to high water solubility, while antibiotics were predominantly detected in the upper 20 cm of the core. Risk quotients were calculated, observing low risk for caffeine, carbamazepine, and ciprofloxacin, while sulfamethoxazole presented high risk in all the sampling points. PhACs are retained in superficial sediments from a lagoon impacted by wastewater discharges, and the level of impact depends on the properties of the compounds and the TOC content in sediments. Risk assessments should be performed in the future considering the combination of pharmaceuticals and byproducts in marine sediments. This research emphasizes the importance of sewage management in preserving marine ecosystems in semi-arid regions in the Global South. Full article

The occurrence of emerging micropollutants of pharmaceutically active compounds (PhACs) in the environment poses a public health concern. Due to PhAC persistence and toxicity even at low concentrations, advanced oxidation processes (AOPs) have gained interest as effective treatment methods. In this context, the present study focuses on the application of a dielectric barrier discharge (DBD)-based plasma jet to Diclofenac (DCF) and Sulfamethoxazole (SMX) degradation in aqueous media. Plasma is sustained by continuous-wave sinusoidal high-voltage of audio frequencies, and negligible total harmonic distortion, in a helium–air mixture. The target pharmaceuticals are chosen based on anticipation of their occurrence due to rehabilitation center (DCF) and hospital (SMX) effluents in sewage systems. The degradation rates are determined by Liquid Chromatography Triple-Quadrupole Mass Spectroscopy (LC-MS/MS). Removal efficiency close to 100%, after 20 min of plasma treatment in the case of DCF at an initial concentration of 50 ppb, is achieved. The post-treatment action of the plasma-induced reactants on PhAC degradation over a day-scale period is studied. The results provide an insight into the dynamic degradation (kinetics) of both DCF and SMX, and they overall highlight the potentiality of the process under consideration for sewage remediation. Full article

The use of reclaimed wastewater for irrigation could result in the release of pharmaceutically active compounds (PhACs) and their metabolites into the agroecosystem. In this study, we investigated the fate of carbamazepine (CBZ) and its metabolites, with the aim of clarifying their behavior in a soil–plant system in a greenhouse experiment. The research was carried out using irrigation water especially fortified with high doses of CBZ (200 or 600 ppb) in order to evaluate the dynamics of CBZ and its metabolites in the soil and basil organs. The results of the study showed that CBZ is easily absorbed by the aerial part of the basil plant. The soil contained two metabolites of CBZ, namely acridine and carbamazepine-10,11-epoxide, as revealed by high-resolution mass spectrometry analyses. In addition, acridine was found in the aerial parts of basil plants. Furthermore, the greater presence of CBZ and its metabolites in bulk soil indicated a positive role of the basil rhizosphere in the degradation of such compounds or a positive role of the plant in the removal of the contaminant by uptake. Considering the observed morphological parameters and the mean CBZ content in wastewater, significantly lower than that used in the experiment, basil can be considered resistant to the application of irrigation water contaminated with CBZ. Full article

The present work investigates nanofiltration (NF) and ultrafiltration (UF) for the removal of three widely used pharmaceutically active compounds (PhACs), namely atenolol, sulfamethoxazole, and rosuvastatin. Four membranes, two polyamide NF membranes (NF90 and NF270) and two polyethersulfone UF membranes (XT and ST), were evaluated in terms of productivity (permeate flux) and selectivity (rejection of PhACs) at pressures from 2 to 8 bar. Although the UF membranes have a much higher molecular weight cut-off (1000 and 10,000 Da), when compared to the molecular weight of the PhACs (253–482 Da), moderate rejections were observed. For UF, rejections were dependent on the molecular weight and charge of the PhACs, membrane molecular weight cut-off (MWCO), and operating pressure, demonstrating that electrostatic interactions play an important role in the removal of PhACs, especially at low operating pressures. On the other hand, both NF membranes displayed high rejections for all PhACs studied (75–98%). Hence, considering the optimal operating conditions, the NF270 membrane (MWCO = 400 Da) presented the best performance, achieving permeate fluxes of about 100 kg h⁻¹ m⁻² and rejections above 80% at a pressure of 8 bar, that is, a productivity of about twice that of the NF90 membrane (MWCO = 200 Da). Therefore, NF270 was the most suitable membrane for this application, although the tight UF membranes under low operating pressures displayed satisfactory results. Full article

The occurrence of pharmaceutically active compounds (PhACs), nutrients, and an artificial sweetener acesulfame in wastewater, and subsequent removal in an engineered system comprising aerobic wetland, anaerobic wetland, and steel slag cells, were investigated. The PhACs evaluated in this study covered a range of octanol–water partition coefficients (log K_ow = 0.07–2.45) and acid dissociation constants (pK_a = 1.7–13.9) and included carbamazepine, caffeine, sulfamethoxazole, ibuprofen, and naproxen. The mean flow rate in the system was 0.89 m³ day⁻¹ (0.02 to 4.27 m³ day⁻¹), representing a hydraulic retention time of 5 days. The removal efficiencies of PO₄-P, NH₃-N, and cBOD₅ in the treatment system were >99, 82, and 98%. The removal efficiencies for the PhACs and acesulfame were classified into four groups, including those that were (a) efficiently removed (caffeine by >75%); (b) moderately removed (ibuprofen by 50–75%); (c) poorly removed (sulfamethoxazole and naproxen by 25–50%); and (d) recalcitrant (carbamazepine and acesulfame by <25%). Variability in concentrations and treatment efficiencies was observed in different sampling events, which may be due to variations in input concentrations or changes in the flow rate. The addition of a steel slag cell increased the overall removal efficiency of the studied compounds, except for carbamazepine. Full article

Pharmaceutically active compounds (PhACs) enter soil with organic waste materials such as manure. Such complex substrates differently affect PhACs’ soil sorption. For the first time, batch experiments were conducted using five selected chemicals as model constituents to elucidate the effects. Urea, phosphate (KH₂PO₄), acetic acid, phenol and nonadecanoic acid (C:19) altered the sorption strength and/or nonlinearity of sulfadiazine, caffeine, and atenolol in an arable Cambisol topsoil. The nonlinear Freundlich model best described sorption. Overall, the PhACs’ Freundlich coefficients (sorption strength) increased in the sequence urea < phosphate < phenol < C:19 < acetic acid, while the Freundlich exponents largely decreased, indicating increasing sorption specificity. The effects on sulfadiazine and caffeine were rather similar, but in many cases different from atenolol. Phosphate mobilized sulfadiazine and caffeine and urea mobilized sulfadiazine, which was explained by sorption competition resulting from specific preference of similar sorption sites. Soil sorbed phenol strongly increased the sorption of all three PhACs; phenolic functional groups are preferred sorption sites of PhACs in soil. The large increase in sorption of all PhACs by acetic acid was attributed to a loosening of the soil organic matter and thus the creation of additional sorption sites. The effect of C:19 fatty acid, however, was inconsistent. These results help to better understand the sorption of PhACs in soil–manure mixtures. Full article