Search Results (151)

Natural organic matter (NOM) in surface waters is a major challenge for drinking water treatment due to its role in the formation of disinfection byproducts (DBPs) during chlorination. This study evaluated the performance of chitosan, a biodegradable coagulant, dissolved in acetic, lactic, and L-ascorbic acids for NOM removal under three turbidity levels (403, 1220, and 5038 NTU). Jar tests were conducted using raw water from the Río Grande de Añasco (Puerto Rico), and TOC, DOC, and UV₂₅₄ were measured at multiple time points. TOC removal ranged from 39.8% to 74.3%, with the highest performance observed in high-turbidity water treated with chitosan–L-ascorbic acid. DOC and UV₂₅₄ reductions followed similar trends, with maximum removals of 76.4% and 76.2%, respectively. Estimated THM formation potential (THMFP) was reduced by up to 81.6%. Across all acids, flocculation efficiencies exceeded 95%. Compared to conventional aluminum-based coagulants, chitosan demonstrated comparable performance, while offering environmental benefits. These results confirm the potential of chitosan–acid systems for effective organic matter removal and DBP control, supporting their application as sustainable alternatives in drinking water treatment. Full article

In chlorination disinfection treatment, residual iodinated X-ray contrast media (ICMs) are the precursors to iodinated disinfection by-products (I-DBPs). This study employed CoFe₂O₄ nanoparticle catalytic peracetic acid oxidation (CoFe₂O₄/PAA) to remove iopamidol (IPM) and control I-DBP formation. The experimental results demonstrated that over 90% of the IPM degradation was achieved in 40 min. The metastable intermediate (≡Co(II)-OO(O)CCH₃), rather than the alkoxyl radicals, was identified as the dominant oxidation species (ROS). The electron transfer pathways between the metastable intermediate and IPM were oxygen-atom transfer and single-electron transfer. The monoiodoacetic acid formation potential (MIAAFP) was investigated. In ultraviolet-activated ClO⁻ (UV/chlorine), a portion of I⁻ generated through IPM dehalogenation underwent conversion to reactive iodine species (RIS), consequently elevating the MIAAFP. In CoFe₂O₄/PAA, the MIAAFP was less than 43% of that in UV/chlorine, which can be attributed to the complete conversion of I⁻ into iodate IO₃⁻ without generating RIS. CoFe₂O₄/PAA is thus a promising treatment for removing ICMs and controlling I-DBP formation due to the efficient degradation of ICMs while avoiding the generation of RIS. Full article

An efficient protocol was developed for the microwave-mediated metallation of 5-(4-methoxycarbonylphenyl)-10,15,20-tris(pentafluorophenyl)porphyrin (P1) with bis(benzonitrile)platinum dichloride salt and subsequent 1,3-dipolar cycloaddition of the resulting PtP1 with an azomethine ylide to give two isomeric metallochlorins: PtC1 (main isomer) and PtC3. The methyl ester group of metalloporphyrin PtP1 and metallochlorin PtC1 was successfully hydrolysed in an alkaline medium to yield the corresponding derivatives PtP2 and PtC2 in moderate-to-good yields. As a proof of concept of the reactivity of the carboxy group in PtP2 and PtC2, these compounds were conjugated with a hydroxylated derivative of indomethacin, a known potent non-steroidal anti-inflammatory, obtaining the conjugates PtP2-Ind and PtC2-Ind. The obtained platinum(II) porphyrins and chlorins were characterized by UV-Vis, NMR spectroscopy and mass spectrometry. The structure of PtP1 was also confirmed by X-ray crystallography. Singlet oxygen generation studies were carried out, as well as theoretical calculations, which demonstrated that the prepared Pt(II) complexes can be considered potential photosensitizers for PDT. Full article

Chloroderivatives of phenoxyacetic acid are a group of compounds commonly used as plant protection products. Differences in the molecular structure of these compounds are related to varying substitution and the number of chlorine atoms in the aromatic ring. Different molecular structures may affect the activity of these compounds, their physicochemical properties, as well as their toxicity and biological effects. A group of 6 chemical compounds derived from phenoxyacetic acid was tested. The molecular structure was analysed using spectroscopic methods (FTIR, FTRaman, UV-VIS, ¹HNMR, ¹³CNMR) and quantum chemical computational methods (DFT). The reactivity of the tested compounds was determined using DFT calculations and experimentally in reaction with a hydroxyl radical. The electronic charge distribution of NBO, CHelpG and ESP was analysed and aromaticity indices were calculated for theoretically modeled structures and structures examined by X-ray diffraction (data obtained from the CSD database). Phenoxyacetic acid derivatives were tested for antimicrobial activity on soil bacterial strains. Cytotoxicity tests were performed on normal human skin fibroblasts (BJ CRL-2522) and the human prostate cancer cell line (DU-145 HTB-81). The purpose of this study was to investigate the relationship between the molecular structure of phenoxyacetic acid derivatives and their reactivity and biological activity. Full article

Dissolved organic carbon (DOC) is a critical parameter in water quality management due to its interaction with disinfectants, leading to the formation of disinfection byproducts (DBPs) during water treatment. Forest ecosystems are key contributors of DOC to surface waters, stemming from soil leachate. This study is the first to use DOC solutions directly extracted from soil to examine the formation of trihalomethanes (THMs) during chlorination and chloramination under varying environmental conditions. For this purpose, soil samples from a densely forested upland Cedar Lake watershed in Illinois were processed to extract DOC, which was then subjected to controlled disinfection experiments under varying pH, temperature, disinfectant dose, and reaction time. The results demonstrate that chlorination produces significantly higher levels of THMs compared to chloramination, with THM concentrations ranging from 31.996 μg/L to 62.563 μg/L for chlorination and 0.508 μg/L to 0.865 μg/L for chloramination. The yields of DBPs determined by chloramination increased approximately 4, 5, and 10 times with a higher DOC concentration, disinfectant concentration, and reaction time, respectively. For chlorination, these increases were approximately 5, 8, and 3 times, respectively. The presence of bromide in the DOC solutions influenced the concentration of brominated THMs (Br-THMs). The results indicate that a high formation of THMs, during both disinfection processes, occurred in the pH range of 7–8 and temperature range of 20–25 degrees Celsius. Furthermore, all tested water quality indicators (DOC, total dissolved solids, turbidity, and UV254), except for pH and Specific Ultraviolet Absorbance (SUVA), exhibited a strong positive correlation with THM levels during chlorination. In contrast, these parameters displayed a moderate to weak correlation with THM levels in the chloramination process. These findings highlight the critical role of DOC characteristics and disinfection conditions in controlling THM formation, providing valuable insights for optimizing water treatment processes. Full article

The application of oxidation processes, including advanced oxidation, in water treatment is one of the effective methods for eliminating risks associated with the presence of organic substances in water and those formed during chlorination. This article presents the impact of advanced oxidation in the UV + O₃ process on the content and structure of organic substances present in three natural waters with different levels of total organic carbon (TOC). The process was carried out using low-pressure and medium-pressure lamps with an irradiation time of 40 min and ozone doses of 1.5 gO₃/m³ and 5 gO₃/m³. Advanced oxidation, regardless of the type of lamp used or the ozone dose, had the greatest effect on the content of humic acids, which underwent both transformation and mineralization. The use of a low-pressure lamp resulted in an increase in the content of organic substances with the lowest molecular weight (<0.7 kDa), whereas the medium-pressure lamp led to an increase in substances with a molecular weight >1.3 kDa. Regardless of the ozone dose and the type of lamp used, the transformation of organic substances dominated over mineralization, whose efficiency reached a maximum of 44.9% and 38.4% for the low-pressure and medium-pressure lamps, respectively. The degree of organic substance transformation and the efficiency of their removal were directly proportional to the TOC content in the raw water. The use of a low-pressure UV lamp ensured higher process efficiency, which is also associated with lower energy costs. Full article

In this study, three dinuclear copper(II) complexes of ligand 2,6-bis[(N-methyl-piperazine-1-yl)methyl]-4-formyl phenol (L1) and one of 2,6-bis[(N-methylpiperazine-1-yl)methyl]-4-formyl phenol dimethylacetal (L2) with copper(II) ions have been investigated as new types of biomimetic catalysts for the oxidative transformation of different aminophenols and phenyldiamines. All the complexes of interest were newly synthesized and further characterized by IR spectroscopy, UV-Vis and mass spectrometry, X-ray diffraction, and selected electrochemical measurements. Crystal structures of these dinuclear copper(II) complexes have revealed that the coordination-shell geometry of copper atoms is close to a tetragonal pyramid. Catecholase, phenoxazinone synthase, and horseradish peroxidase-like activities were observed in pure methanol and water–methanol mixtures in the presence of molecular oxygen. The potential applicability of the complexes under study is discussed with respect to their possibilities and limitations in the replacement of natural copper-containing oxidoreductases in the oxidative degradation of water-insoluble chlorinated aminophenols in the dye industry or in the production of phenoxazine-based drugs. Full article

Surface-enhanced Raman scattering (SERS) is highly dependent on the adsorption of target molecules onto metallic surfaces, such as colloidal metallic nanoparticles. The selection of suitable substrates is crucial for optimizing SERS performance. Herein, we investigated the dependence of two pesticide SERS signals, thiabendazole (TBZ) and carbendazim (MBC), on both Ag nanoparticles (reduced by hydroxylamine—AgH or citrate—AgCT) and the aggregation conditions induced by adding different salts (NaCl, KCl or KNO₃). In addition to SERS experiments, in order to assess the induced aggregation of the Ag nanoparticles, UV-Vis absorption spectroscopy, dynamic light scattering (DLS) and zeta potential were employed. For AgH, the use of salts did not yield the greatest effect in the presence of TBZ, as only with the pesticide was it possible to achieve the highest aggregation and greater intensity of the SERS signal. In contrast, with the MBC pesticide, the KNO₃ salt promoted the greatest aggregation state and was crucial for obtaining the most amplified SERS signal. The thicker coating layer of AgCT prevented the adsorption of both pesticides on the surface of the nanoparticles, which was achievable using salts containing Cl⁻ ions. Additionally, to obtain the SERS signal of MBC with AgCT, besides the presence of chlorinated salts, other adjustments were necessary, such as changing both the pH of the medium (from pH 5.8 to pH 8, for which MBC is in its neutral form) and the laser lines (from 785 to 514.5 nm). These findings demonstrated that although the pesticide molecules belong to the same chemical functional group, their detection was strongly influenced by the surface of the silver nanoparticles and the salts added. This highlights the specific nuances in detection depending on the method of Ag synthesis and the nature of the aggregating agents used. Full article

Storm events have a notable impact on natural organic matter (NOM) and trihalomethanes (THMs). Water samples were collected and analyzed from Ulutan Dam (UD), in the Zonguldak region, Turkey. During four storm events, the data indicated the presence of hysteresis patterns in three of the four storms, with elevated concentrations of organic constituents observed during the falling limb of the hydrographs. It was observed that a higher specific THM (sp.THM) concentration (201.83 µg/L) was reached with an average specific UV absorbance (SUVA) value of 6.66 L/mg·m in the fourth storm. This means that the primary sources of THM precursors are the aromatic compounds present in NOM. A significant correlation between UV absorbance (UV₂₅₄) and dissolved organic carbon (DOC) (R = 0.99–0.92) for all storms was observed. Chlorine demand also yielded a strong correlation (R = 0.81–0.99) with UV₂₅₄ and DOC. Therefore, the present study indicates that UV₂₅₄ can be an effective parameter for monitoring applicable chlorine dosage in drinking water treatment management as faced with storm events. On the other hand, the results of the study also provide valuable insight into the direct and indirect link between short-term precipitation events and their impact on the structural and THM precursors in surface water sources. Full article

New haloaminopyrazole derivatives differing in the number of pyrazole nuclei 4a–f and 5a–e, respectively, were synthesized and characterized by ¹H-NMR, ¹³C-NMR, IR, UV-Vis, and elemental analysis. The single-crystal X-ray diffraction method was used to describe compounds 4a and 5d. When tested on normal NCTC fibroblasts in vitro, the newly synthesized derivatives were shown to be non-cytotoxic at a dosage of 25 μg/mL. Two compounds 4a and 5d showed a high degree of biocompatibility. From the two series of compounds tested on HEp-2 human cervical carcinoma cells, compound 5d showed a more pronounced antiproliferative effect. Gram-positive strains of Staphylococcus aureus ATCC25923, Enterococcus faecalis ATCC29212, Gram-negative strains of Pseudomonas aeruginosa ATCC27853, and strains of Escherichia coli ATCC25922 were used to test the newly synthesized compounds antibacterial and antibiofilm properties. Among the studied pyrazole compounds, 2 compounds 4a and 5a with fluorine content on the phenyl ring and 4 compounds 4b, 4e, 4f, and 5b with chlorine content on the phenyl ring were noted, which proved to be the most active compared with the two reference drugs, metronidazole and nitrofurantoin. The six compounds showed a broad spectrum of action against all four tested bacterial strains, the most active being compound 4b, with a chlorine atom in the “4” position of the phenyl nucleus and a MIC of 460 μg/mL. Compounds 4a and 5a showed the best antibiofilm activity against the bacterial strain Staphylococcus aureus ATCC25923, with an MBIC of 230 μg/mL. Full article

Synthetic cannabinoids (SCs) are one of the largest groups of new psychoactive substances (NPSs). However, the relationship between their chemical structure and the affinity to human CB₁ receptors (hCB₁), which mediates their psychotropic activity, is not well understood. Herein, the synthesis of the 2-, 4-, 5-, 6- and 7-chloroindole analogues of the synthetic cannabimimetic MDMB-CHMICA, along with their analytical characterization via ultraviolet–visible (UV/VIS), infrared (IR), nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry, is described. Furthermore, all five derivatives of MDMB-CHMICA were analyzed for their hCB₁ binding affinities. Chlorination at position 4 and 5 of the indole core reduced the binding affinity compared to MDMB-CHMICA, while the test compounds chlorinated in positions 2, 6, and 7 largely retained their binding affinities relative to the non-chlorinated parent compound. Full article

Antibiotic resistance is a major crisis that the modern world is confronting. This review highlights the abundance of different types of antibiotic resistance genes (ARGs) in two major reservoirs in the environment, namely hospital and municipal wastewater, which is an unforeseen threat to human lives across the globe. The review helps understand the current state of affairs and the whereabouts on the dissemination of ARGs in both these environments. The various traditional wastewater treatment methods, such as chlorination and UV treatment, and modern methods, such as electrochemical oxidation, are discussed, and the gaps in these technologies are highlighted. The need for the development of newer techniques for wastewater treatment with enhanced efficiency is urgently underscored. Nanomaterial applications for ARG removal were observed to be less explored. This has been discussed, and prospective nanomaterials and nanocomposites for these applications are proposed. Full article

Growing concerns over public health and environmental safety have intensified the focus on minimizing harmful disinfection byproducts (DBPs) in water treatment. Traditional methods like chlorination, while effective against pathogens, often lead to the formation of DBPs, which pose significant risks. This paper explores alternative strategies to reducing DBP formation while ensuring effective disinfection. The methodology involved a bibliographic study conducted through the Scopus platform, using appropriate keywords. The initial search yielded 9576 articles from the period 2020 to 2024. The key approaches identified include advanced oxidation processes (AOPs) such as UV/H₂O₂ and ozone, which mineralize natural organic matter (NOM) and minimize chemical use and sludge production; membrane-based filtration systems, like reverse osmosis, effectively removing contaminants without chemical disinfectants, reducing DBP risks. Furthermore, conventional processes, such as coagulation and filtration, serve as crucial pretreatment steps to lower NOM levels before disinfection. Additionally, optimizing chlorine dosing, using non-chlorine disinfectants, and employing post-disinfection methods like adsorption and biological filtration further mitigate DBP formation. Finally, the integration of artificial intelligence in process optimization is emerging as a promising tool for enhancing treatment efficiency and safety. This research contributes to the development of safer, more sustainable water treatment solutions, addressing regulatory demands and public health objectives. Full article

Reactive oxygen species (ROS) and reactive chlorine species (RCS) and their involvement in the degradation process are explored in this work by thorough kinetic modeling of the solar-activated hypochlorite degradation of Rhodamine B (RhB) dye. The kinetic modeling enabled the determination of rate constants for both radical and non-radical pathways of hypochlorite and the oxidation of RhB by free radicals. Using COPASI^® software, fed with a kinetics mechanism of 144 chemical reactions, the free radical kinetic model accurately fitted experimental data under various conditions, including temperatures ranging from 25 to 55 °C and initial hypochlorite concentrations from 300 to 1000 µM, at a controlled pH of 11. Results indicate that increasing hypochlorite dosages and temperatures enhance free radical concentrations and RhB degradation rates. ^•OH and ClO^• radicals were quantified as primary contributors to RhB degradation, while ozone played a minor role. The model provides profiles for ROS and RCS, details on radicals distribution in RhB degradation, and predictions of rate constants for the photolysis of ClO⁻: k_R1 = 2.67 × 10⁻⁴ s⁻¹ for the radical pathway (ClO⁻ $\stackrel{\mathrm{h}\mathsf{\nu }}{\to }$ O^•− + Cl^•), and k_R2 = 1.88 × 10⁻⁵ s⁻¹ and k_R3 = 0 s⁻¹ for the non-radical pathway (i.e., ClO⁻ $\stackrel{\mathrm{h}\mathsf{\nu }}{\to }$ O(³P) + Cl⁻ and ClO⁻ $\stackrel{h\nu }{\to }$ O(¹D) + Cl⁻, respectively). The rate constants for RhB reactions with O^•−, Cl^•, Cl₂^•− and ClO^• were predicted to be 4.8 × 10⁹ M⁻¹ s⁻¹, 1.45 × 10⁹ M⁻¹ s⁻¹, 2.5 × 10⁷ M⁻¹ s⁻¹ and 8.7 × 10⁴ M⁻¹ s⁻¹, respectively. Lower rate constants were predicted for RhB reactions with HOCl^•−, HO₂^•, O₂^•−, and O(³P), with values of 4.1 × 10⁴ M⁻¹ s⁻¹, 7.3 × 10⁵ M⁻¹ s⁻¹, 3.6 × 10⁴ M⁻¹ s⁻¹, and 0.40 M⁻¹ s⁻¹, respectively. Full article

The viable but non-culturable (VBNC) state is a survival strategy for many foodborne pathogens under adverse conditions. Yersinia enterocolitica (Y. enterocolitica) as a kind of primary foodborne pathogen, and it is crucial to investigate its survival strategies and potential risks in the food chain. In this study, the effectiveness of ultraviolet (UV) irradiation and chlorine treatment in disinfecting the foodborne pathogen Y. enterocolitica was investigated. The results indicated that both UV irradiation and chlorine treatment can induce the VBNC state in Y. enterocolitica. The bacteria completely lost culturability after being treated with 25 mg/L of NaClO for 30 min and a UV dose of 100 mJ/cm². The number of culturable and viable cells were detected using plate counting and a combination of fluorescein and propidium iodide (live/dead cells). Further research found that these VBNC cells exhibited reduced intracellular Adenosine Triphosphate (ATP) levels, and increased levels of reactive oxygen species (ROS) compared to non-induced cells. Morphologically, the cells changed from a rod shape to a shorter, coccobacillary shape with small vacuoles forming at the edges, indicating structural changes. Both condition-induced VBNC-state cells were able to resuscitate in tryptic soy broth (TSB) medium supplemented with Tween 80, sodium pyruvate, and glucose. These findings contribute to a better understanding of the survival mechanisms of Y. enterocolitica in the environment and are of significant importance for the development of effective disinfection strategies. Full article