Formation Of By-products Research Articles

Liquid-liquid addition reaction of ethylene oxide with hydrazine hydrate in microreactors: Kinetics and process optimization

The addition reaction of ethylene oxide (EO) and hydrazine hydrate (N2H4·H2O) to β-hydroxyethyl hydrazine (HEH) is an important process for the synthesis of hydrazine-derived monopropellant in the aerospace industry. Due to the complexity of this reaction mechanism, it is difficult to reduce the formation of byproducts and efficiently obtain pure HEH. Hence it is necessary to investigate process behavior and establish kinetic network for further optimization. Here a continuous microflow system was developed to systematically investigate the synthesis of HEH under high pressure in the liquid–liquid form. A simple and effective pre-column derivatization method was applied to characterize and quantify the product. Subsequently, a thorough optimization of parameters, including N2H4·H2O concentration, molar ratio (N2H4·H2O/EO), temperature and reaction time, was conducted. Additionally, response surface methodology was employed to optimize the reaction conditions, illuminating the intricate interactions among the specified variables and achieving a high HEH yield of 96.97 %. Finally, a kinetic model was established, and the activation energies for the main reaction and side reaction were measured to be 38.31 kJ·mol−1 and 44.94 kJ·mol−1, respectively. This kinetic model can enable the accurate determination of kinetic parameters and provide guidance for the process intensification of this EO addition reaction.

Review of Organic Waste-to-Energy (OWtE) Technologies as a Part of a Sustainable Circular Economy

Organic waste-to-energy (OWtE) technologies are playing a steadily increasing role in the Green Transition, thus becoming a powerful driver in the establishment of an ever more efficient and sustainable circular economy. The advantages of OWtE processes are well known: not only do they reduce the waste volumes sent to landfills or incineration plants, but also and foremost, through the energy they yield (biogenic carbon dioxide, amongst others), they reduce dependance on fossil fuels. This article gives a complete panorama of these technologies, starting from the classical methods and ending with a review of the latest modern novelties. Advantages and disadvantages of each method are highlighted, with particular focus on the formation of by-products and the relevant treatment aimed at preventing environmental pollution. Accordingly, modern techniques for increasing waste-to-energy efficiency and integrating the concept of circular economy and substitutability are analyzed from this perspective. Along with an analysis of modern scientific achievements in this area, practical examples of the implementation of technologies in European countries are given, with an emphasis on the obvious advantages, both economic and environmental.

Separation of 2,2,2-trifluoroethanol – isopropanol azeotropic mixture by extractive distillation

On a laboratory scale, a complete technological extractive distillation cycle of an industrial azeotropic mixture of 2,2,2-trifluoroethanol (TFE) – isopropanol (IPA) of equimolar composition using N-methyl-2-pyrrolidone (NMP) as a separation agent (SA) was implemented. All technological stages (extractive distillation, target component separation and SA regeneration) were carried out in one apparatus – a batch distillation column. It was shown that this approach makes it possible to separate the TFE – IPA mixture into individual components, as well as to regenerate NMP. The proposed method is an alternative to traditional chemical methods and allows to eliminate the use of aggressive auxiliary reagents and the formation of by-products, to reduce the number of stages and apparatuses from 5 to 1.

Author Correction: Simultaneous time-resolved inorganic haloamine measurements enable analysis of disinfectant degradation kinetics and by-product formation

Author Correction: Simultaneous time-resolved inorganic haloamine measurements enable analysis of disinfectant degradation kinetics and by-product formation

Optimization of Electrocoagulation for Natural Organic Matter Removal and Its Impact on Disinfection By-Products Formation

Optimization of Electrocoagulation for Natural Organic Matter Removal and Its Impact on Disinfection By-Products Formation

Advances in evolved T7 RNA polymerases for expanding the frontiers of enzymatic nucleic acid synthesis.

In vitro RNA synthesis technologies are crucial in developing therapeutic RNA drugs, such as mRNA vaccines and RNA interference (RNAi) therapies. Enzymatic RNA synthesis, recognized for its sustainability and efficiency, enables the production of extensive RNA sequences under mild conditions. Among the enzymes utilized, T7 RNA polymerase is distinguished by its exceptional catalytic efficiency, enabling the precise and rapid transcription of RNA from DNA templates by recognizing the specific T7 promoter sequence. With the advancement in clinical applications of RNA-based drugs, there is an increasing demand for the synthesis of chemically modified RNAs that are stable and resistant to nuclease degradation. To this end, researchers have applied directed evolution to broaden the enzyme's substrate scope, enhancing its compatibility with non-canonical substrates and reducing the formation of by-products. This review summarizes the progress in engineering T7 RNA polymerase for these purposes and explores prospective developments in the field.

Gel polymer electrolytes based on compound cationic additives for environmentally adaptive flexible zinc-air batteries with a stable electrolyte/zinc anode interface

With the rapid development of flexible wearable technology, there is an urgent need for the exploitation of flexible and sustainable energy storage devices. Flexible zinc-air battery (ZABs) have attracted extensive attention from researchers due to their high theoretical energy density, abundant raw material and environmental friendliness. However, there is no more effective strategy to solve the problems of dendrite growth and by-products formation on the zinc anode surface of flexible ZABs in a strong alkaline environment. Herein, the PMA-HLx hydrogels based on chitosan quaternary ammonium salt (HACC) and La3+ as compound cationic additives are prepared as gel polymer electrolytes (GPEs) for flexible ZABs. The optimal PMA-HL0.02 GPE shows admirable interfacial adhesion and favorable ionic conductivity of 130.43 mS cm−1. Meanwhile, the assembled flexible ZAB exhibits excellent electrochemical performance and long cycle life, as well as a stable charge-discharge voltage gap at different bending angles, and still has favorable power densities of 113.2 mW cm−2 and 93.65 mW cm−2 at -20°C and 80°C, respectively. Therefore, this synthesis strategy of GPEs based on compound cationic additives provides a useful reference for the development of flexible ZABs with environmental adaptability and interfacial stability in alkaline electrolyte environment.

Effect of temperature and relative humidity on ethylene oxide inactivation of Salmonella and Enterococcus faecium NRRL B-2354 on chia seeds and its influence on the quality of seeds

Ethylene oxide (EtO) sterilization is commonly used by the food industry to inactivate pathogens in spices, but its efficacy on edible seeds, a high-risk food commodity, remains unexplored. This study aimed to evaluate the antimicrobial efficacy of EtO gas on chia seeds and assess the impact of processing parameters on microbial reduction, byproduct formation, and seed quality. Further, Enterococcus faecium NRRL B-2354 was evaluated for its suitability as a surrogate for Salmonella. Chia seeds were inoculated with a cocktail of five strains of Salmonella enterica or E. faecium. The inoculated sample was treated with EtO (735.3 mg/L) at different combinations of relative humidity (30, 40, and 50%) and temperature (46, 53, and 60 °C) for exposure times ranging from 2 to 120 min. The results showed that EtO treatment effectively reduced the bacterial populations on chia seeds, with the inactivation trend following a non-linear pattern that was described well by the Weibull model. The treatment time required for a 5-log reduction of Salmonella was less than 10 min at 50% RH and 53–60 °C. Exposure of chia seeds to EtO for 2 min at 50% RH gave 3.15, 3.59, and 3.87 log reductions at 46, 53, and 60 °C, respectively. E. faecium was found to be a reliable surrogate for Salmonella during EtO treatment. The modified Bigelow model developed based on Weibull model parameters could be used to predict Salmonella inactivation (RMSE = 0.73 min) and E. faecium inactivation (RMSE = 0.87 min) on chia seeds during EtO treatment. Fatty acid composition, protein content, color, and germination ability of chia seeds were not impacted significantly (P > 0.05) by EtO fumigation. These findings suggest that EtO gas can effectively inactivate Salmonella on chia seeds while preserving their viability and quality.

The efficient and directional electrocatalytic depolymerization of α-O-4 bond in lignin by auxiliary electrolyte

This study examines the use of tetrabutylammonium tetrafluoroborate (TBABF4) as a catalyst for the depolymerization of lignin and its model compound without the addition of oxidants. The impact of electrolytes, reaction times, and solvents on the cleavage of the α-O-4 bond in lignin is investigated. The experimental setup includes specific conditions such as the use of carbon cloth (CC) as the counter electrode and a platinum plate as the working electrode. The TBABF4 catalyst effectively cleaved the α-O-4 bond in the lignin model molecule with notable selectivity and minimal formation of by-products, resulting in a substantial conversion rate of benzyl phenyl ether (95.7 %) and a high yield of benzaldehyde dimethyl aceta (92.4 %) under specific conditions. This investigation showcases a mild electrochemical catalytic depolymerization approach for lignin model molecules at ambient temperature, thereby presenting novel avenues for further exploration in the field.

A Mechanistic Study on Iron-Based Styrene Aziridination: Understanding Epoxidation via Nitrene Hydrolysis.

Transition-metal-catalyzed nitrene transfer reactions are typically performed in organic solvents under inert and anhydrous conditions due to the involved air and water-sensitive nature of reactive intermediates. Overall, this study provides insights into the iron-based ([FeII(PBI)3](CF3SO3)2 (1), where PBI = 2-(2-pyridyl)benzimidazole), catalytic and stoichiometric aziridination of styrenes using PhINTs ([(N-tosylimino)iodo]benzene), highlighting the importance of reaction conditions including the effects of the solvent, co-ligands (para-substituted pyridines), and substrate substituents on the product yields, selectivity, and reaction kinetics. The aziridination reactions with 1/PhINTs showed higher conversion than epoxidation with 1/PhIO (iodosobenzene). However, the reaction with PhINTs was less selective and yielded more products, including styrene oxide, benzaldehyde, and 2-phenyl-1-tosylaziridine. Therefore, the main aim of this study was to investigate the potential role of water in the formation of oxygen-containing by-products during radical-type nitrene transfer catalysis. During the catalytic tests, a lower yield was obtained in a protic solvent (trifluoroethanol) than in acetonitrile. In the case of the catalytic oxidation of para-substituted styrenes containing electron-donating groups, higher yield, TON, and TOF were achieved than those with electron-withdrawing groups. Pseudo-first-order kinetics were observed for the stoichiometric oxidation, and the second-order rate constants (k2 = 7.16 × 10-3 M-1 s-1 in MeCN, 2.58 × 10-3 M-1 s-1 in CF3CH2OH) of the reaction were determined. The linear free energy relationships between the relative reaction rates (logkrel) and the total substituent effect (TE, 4R-PhCHCH2) parameters with slopes of 1.48 (MeCN) and 1.89 (CF3CH2OH) suggest that the stoichiometric aziridination of styrenes can be described through the formation of a radical intermediate in the rate-determining step. Styrene oxide formation during aqueous styrene aziridination most likely results from oxygen atom transfer via in situ iron oxo/oxyl radical complexes, which are formed through the hydrolysis of [FeIII(N•Ts)] under experimental conditions.

Complexation with Metal Ions Affects Chlorination Reactivity of Dissolved Organic Matter: Structural Reactomics of Emerging Disinfection Byproducts.

Metal ions are liable to form metal-dissolved organic matter [dissolved organic matter (DOM)] complexes, changing the chemistry and chlorine reactivity of DOM. Herein, the impacts of iron and zinc ions (Fe3+ and Zn2+) on the formation of unknown chlorinated disinfection byproducts (Cl-DBPs) were investigated in a chlorination system. Fe3+ preferentially complexed with hydroxyl and carboxyl functional groups, while Zn2+ favored the amine functional groups in DOM. As a consequence, electron-rich reaction centers were created by the C-O-metal bonding bridge, which facilitated the electrophilic attack of α-C in metal-DOM complexes. Size-reactivity continuum networks were constructed in the chlorination system, revealing that highly aromatic small molecules were generated during the oxidation and decarbonization of metal-DOM complexes. Molecular transformation related to C-R (R represents complex sites) loss was promoted via metal complexation, including decarboxylation and deamination. Consequently, complexation with Fe3+ and Zn2+ promoted hydroxylation by the C-O-metal bonding bridge, thereby increasing the abundances of unknown polychlorinated Cl-DBPs by 9.6 and 14.2%, respectively. The study provides new insights into the regulation of DOM chemistry and chlorine reactivity by metal ions in chlorination systems, emphasizing that metals increase the potential health risks of drinking water and more scientific control standards for metals are needed.

Advancing Catalysts by Nanoconfinement and Catalysis for Enhanced Hydrogen Production from Magnesium Borohydride: A Review.

Hydrogen storage in solid-state materials represents a promising avenue for advancing hydrogen storage technologies, driven by their potential for high efficiency, reduced risk, and cost-effectiveness. Among the employed materials, magnesium borohydride (Mg(BH4)2) stands out for its exceptional characteristics, with a gravimetric capacity of 14.9 wt% and a volumetric hydrogen density capacity of 146 kg/m3. However, the practical application of Mg(BH4)2 is impeded by challenges such as high desorption temperatures (≥ 270 °C), sluggish kinetics, poor reversibility, and the formation of unexpected byproducts like diborane. To address these limitations, extensive research efforts have been directed towards enhancing the hydrogen storage properties of Mg(BH4)2. Various strategies have been explored, including incorporating catalysts or additives, nanoconfinement of Mg(BH4)2 within porous supports, and modifications involving metal alloys and compositional adjustments. These approaches are actively under investigation for improving the performance of Mg(BH4)2-based hydrogen storage systems. This review provides a comprehensive survey of recent advancements in Mg(BH4)2 research, focusing on experimental findings related to nanoconfined Mg(BH4)2 and modified thermodynamic processes aimed at enabling hydrogen release at lower temperatures by mitigating sluggish kinetics. Precisely, nanostructuring techniques, catalyst-mediated nanoconfinement methodologies, and alloy/compositional modifications will be elucidated, highlighting their potential to enhance hydrogen storage properties and overcome existing limitations. Furthermore, this review also discusses the challenges encountered in utilizing Mg(BH4)2 for hydrogen storage applications and offers insights into the prospects of this material. By synthesizing the latest research findings and identifying areas for further exploration, this review aims to contribute to the ongoing efforts toward realizing the full potential of Mg(BH4)2 as a viable solution for hydrogen storage in diverse applications.

Tailoring the Whole Deposition Process from Hydrated Zn2+ to Zn0 for Stable and Reversible Zn Anode

The practical application of aqueous zinc‐ion batteries (ZIBs) indeed faces challenges primarily attributed to the inherent side reactions and dendrite growth associated with the Zn anode. In the present work, N‐Methylmethanesulfonamide (NMS) is introduced to optimize the transfer, desolvation, and reduction of Zn2+, achieving highly stable and reversible Zn plating/stripping. The NMS molecule can substitute one H2O molecule in the solvation structure of hydrated Zn2+ and be preferentially chemisorbed on the Zn surface to protect Zn anode against corrosion and hydrogen evolution reaction (HER), thereby suppressing byproducts formation. Additionally, a robust N‐rich organic and inorganic (ZnS and ZnCO3) hybrid solid electrolyte interphase is in situ generated on Zn anode due to the decomposition of NMS, resulting in enhanced Zn2+ transport kinetics and uniform Zn2+ deposition. Consequently, aqueous cells with the NMS achieve a long lifespan of 2300 h at 1 mA cm−2 and 1 mAh cm−2, high cumulative plated capacity of 3.25 Ah cm−2, and excellent reversibility with an average coulombic efficiency (CE) of 99.7% over 800 cycles.

Tailoring the Whole Deposition Process from Hydrated Zn2+ to Zn0 for Stable and Reversible Zn Anode.

The practical application of aqueous zinc-ion batteries (ZIBs) indeed faces challenges primarily attributed to the inherent side reactions and dendrite growth associated with the Zn anode. In the present work, N-Methylmethanesulfonamide (NMS) is introduced to optimize the transfer, desolvation, and reduction of Zn2+, achieving highly stable and reversible Zn plating/stripping. The NMS molecule can substitute one H2O molecule in the solvation structure of hydrated Zn2+ and be preferentially chemisorbed on the Zn surface to protect Zn anode against corrosion and hydrogen evolution reaction (HER), thereby suppressing byproducts formation. Additionally, a robust N-rich organic and inorganic (ZnS and ZnCO3) hybrid solid electrolyte interphase is in situ generated on Zn anode due to the decomposition of NMS, resulting in enhanced Zn2+ transport kinetics and uniform Zn2+ deposition. Consequently, aqueous cells with the NMS achieve a long lifespan of 2300 h at 1 mA cm-2 and 1 mAh cm-2, high cumulative plated capacity of 3.25 Ah cm-2, and excellent reversibility with an average coulombic efficiency (CE) of 99.7 % over 800 cycles.

Electro‐Ionic‐Field Regulation through Dipole Molecule Layer toward Dendrite‐Free Zinc Anode

AbstractZinc metal is a high‐capacity and cost‐effective anode material for aqueous zinc‐ion batteries, but its development is impeded by dendrite growth and interfacial side reactions. In this study, a unique dipole molecule (DPM) layer is constructed on a zinc surface via an in situ etching‐growth strategy to regulate the surface electric field and ion distribution. Theoretical calculations and experiments confirm that the asymmetrical charge distribution within the DPM layer can significantly remodel the electric field of the Zn anode surface. The zincophilic DPM layer accelerates the migration of zinc ions through ordered ion channels. Electro‐ionic field regulation via the DPM layer achieves dendrite‐free deposition and reduces the formation of byproducts. The DPM‐Zn symmetrical cells exhibit ultralow voltage hysteresis (≈ 24.2 mV), highly reversible zinc plating/stripping behavior, and stable cycling over 1700 h at 1 mA cm−2. The DPM‐Zn||MnO2 full cells exhibited a higher specific capacity and cycle stability than the bare Zn anode. This work verifies the feasibility of electro‐ionic‐field synergistic regulation for robust Zn anodes and provides new insights into the interface design of metal anodes.

Selective adsorption of antibiotics from human urine using biochar modified by dimethyl sulfoxide, deep eutectic solvent, and ionic liquid

Antibiotics present in human urine pose significant challenges for the use of urine-based fertilizers in agriculture. This study introduces a novel two-stage approach utilizing distinct biochar types to mitigate this concern. Initially, a modified biochar selectively adsorbed azithromycin (AZ), ciprofloxacin (CPX), sulfamethoxazole (SMX), trimethoprim (TMP), and tetracycline (TC) from human urine. Subsequently, a separate pristine biochar was employed to capture nutrients. Biochar, derived from sewage sludge and pyrolyzed at 550 and 700 °C, was modified using dimethyl sulfoxide, deep eutectic solvent, and ionic liquid to enhance antibiotic removal in the first stage. The modifications introduced hydrophilic functional groups (-OH/-COOH), which favor antibiotic adsorption. Adsorption kinetics followed the pseudo-second-order model, with the Langmuir isotherm model best describing the adsorption data. The maximum adsorption capacities for AZ, CPX, SMX, TMP, and TC after the modification were 196.08, 263.16, 81.30, 370.37, and 833.33 μg/g, respectively. Pristine biochar exhibited a superior ammonia adsorption capacity compared to the modified biochar. Hydrogen bonding, electrostatic attraction, and chemisorption drove antibiotic adsorption on the modified biochar. Regeneration efficiency declined due to solvent accumulation and potential byproduct formation on the biochar surface (<30% removal capacity after three cycles). This study presents innovative biochar modification strategies for selective antibiotic adsorption, laying the groundwork for environmentally friendly urine-based fertilizers in agriculture.

Se-dopant Modulated Selective Co-Insertion of H+ and Zn2+ in MnO2 for High-Capacity and Durable Aqueous Zn-Ion Batteries.

MnO2 is commonly used as the cathode material for aqueous zinc-ion batteries (AZIBs). The strong Coulombic interaction between Zn ions and the MnO2 lattice causes significant lattice distortion and, combined with the Jahn-Teller effect, results in Mn2+ dissolution and structural collapse. While proton intercalation can reduce lattice distortion, it changes the electrolyte pH, producing chemically inert byproducts. These issues greatly affect the reversibility of Zn2+ intercalation/extraction, leading to significant capacity degradation of MnO2. Herein, we propose a novel method to enhance the cycling stability of δ-MnO2 through selenium doping (Se-MnO2). Our work indicates that varying the selenium doping content can regulate the intercalation ratio of H+ in MnO2, thereby suppressing the formation of ZnMn2O4 by-products. Se doping mitigates the lattice strain of MnO2 during Zn2+ intercalation/deintercalation by reducing Mn-O octahedral distortion, modifying Mn-O bond length upon Zn2+ insertion, and alleviating Mn dissolution caused by the Jahn-Teller effect. The optimized Se-MnO2 (Se concentration of 0.8 at.%) deposited on carbon nanotube demonstrates a notable capacity of 386 mAh g-1 at 0.1 A g-1, with exceptional long-term cycle stability, retaining 102 mAh g-1 capacity after 5000 cycles at 3.0 A g-1.

Deciphering the Mechanisms and Biotechnological Implications of Nanoparticle Synthesis Through Microbial Consortia.

Nanomaterial synthesis is a growing study area because of its extensive range of uses. Nanoparticles' high surface-to-volume ratio and rapid interaction with various particles make them appealing for diverse applications. Traditional physical and chemical methods for creating metal nanoparticles are becoming outdated because they involve complex manufacturing processes, high energy consumption, and the formation of harmful by-products that pose major dangers to human health and the environment. Therefore, there is an increasing need to find alternative, cost-effective, dependable, biocompatible, and environmentally acceptable ways of producing nanoparticles. The process of synthesizing nanoparticles using microbes has become highly intriguing because of their ability to create nanoparticles of varying sizes, shapes, and compositions, each with unique physicochemical properties. Microbes are commonly used in nanoparticle production because they are easy to work with, can use low-cost materials, such as agricultural waste, are cheap to scale up, and can adsorb and reduce metal ions into nanoparticles through metabolic activities. Biogenic synthesis of nanoparticles provides a clean, nontoxic, ecologically friendly, and sustainable method using renewable ingredients for reducing metals and stabilizing nanoparticles. Nanomaterials produced by bacteria can serve as an effective pollution control method due to their many functional groups that can effectively target contaminants for efficient bioremediation, aiding in environmental cleanup. At the end of the paper, we will discuss the obstacles that hinder the use of biosynthesized nanoparticles and microbial-based nanoparticles. The paper aims to explore the sustainability of microorganisms in the burgeoning field of green nanotechnology.

Synergistic nitrate removal: Coupling electrocatalysis and chemical reduction for exceptional nitrogen selectivity

Nitrate pollution in natural water bodies poses a severe threat to human health and the environment. Developing efficient and environmentally friendly nitrate removal methods has become a global need. Electrochemical techniques offer a cost-effective strategy for nitrate remediation; however, the complexity of the reaction and the formation of multiple by-products make the selective production of harmless nitrogen a challenging task. This study proposes a novel two-step strategy to achieve high efficiency and selectivity in converting nitrate into nitrogen. First, a membrane electrode consisting of silver nanowires (Ag NWs) is used to electrochemically reduce nitrate to nitrite through a direct electron transfer pathway. Whether in a static electrolytic cell or a flow cell, the process has very high nitrite selectivity and Faraday efficiencies, with Faraday efficiency up to 98.40 % and selectivity up to 99.90 % at −1.0 V vs Ag/AgCl. Subsequently, the nitrite is converted into nitrogen through a specific reaction with sulfamic acid with near 100 % conversion and selectivity. By coupling these two reactions, the selectivity for converting nitrate to nitrogen can reach more than 99 %. In addition, the membrane electrode can be readily used in a flow-through electrolytic cell to treat nitrates at a maximum rate of 150 L h−1 m−2. When operated at 50 L h−1 m−2, the membrane electrode demonstrates relatively stable performance for 100 h, reducing nitrates at 1.61 mM to below 0.81 mM (50 ppm), as recommended by the World Health Organization for drinking water. This novel synergistic approach not only enhances nitrogen selectivity but also simplifies the process of electrocatalytic nitrate reduction, making it a promising method for nitrate removal.

Percarbonate mediated advanced oxidation of irbesartan: A suitable alternative to chlorination?

This study aims to investigate the environmental fate of irbesartan when subjected to activated percarbonate treatment. The investigation delves into the formation of disinfection byproducts (DBPs) and evaluates their toxicity, and it seeks to draw comparisons with outcomes from treatment with sodium hypochlorite, already characterized in previous findings. The proposed treatment indicates the formation of at least 11 DBPs - eight identified for the first time - which have been isolated by various chromatographic techniques, identified by Nuclear Magnetic Resonance and Mass Spectrometry studies and for which a mechanism has been proposed to elucidate their formation. To evaluate irbesartan's biological impact during treatment with sodium percarbonate (SPC), a toxicity study of the DBPs was conducted using Daphnia magna, Aliivibrio fischeri, and Raphidocelis subcapitata, three model organisms. The ecotoxicity was evaluated using the Ecological Structure-Activity Relationships (ECOSAR) computer program and compared with experimental results. Compared to chlorination treatment, a lower mineralization percentage (−43 %) and amount of DBPs at least twice higher were observed. Toxicity assessment highlighted that DBPs formed during SPC treatment were more toxic than those from chlorination. ECOSAR predicted toxicity aligned with experimental findings. Additionally, the DBPs exhibited varying levels of toxicity, primarily attributable to the presence of aromatic and hydroxyl groups in their chemical structure, indicating that SPC treatment is not suitable for treatment of irbesartan polluted waters.