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SEPARATION AND PURIFICATION TECHNOLOGY · 2017 · IF 3.359

Magnetic Pr6O11/SiO2@Fe3O4 particles as the heterogeneous catalyst for the catalytic ozonation of acetochlor: Performance and aquatic toxicity

Junliang Wang,Yuanyang Lou,Xiaowei Zhuang,Shuang Song,Weiping Liu,Chao Xu

A magnetic core–shell Pr 6 O 11 /SiO 2 @Fe 3 O 4 catalyst using chemical precipitation was prepared. Its structure was confirmed by X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy, and energy-dispersive X-ray spectrum. The catalytic activity was evaluated by the catalytic ozonation of acetochlor. The results showed that the catalyst could effectively improve the acetochlor removal and mineralization. The total organic carbon removal reached 37.3% with the catalyst at 120 min, whereas the removal was 14.1% with ozonation alone. The catalyst was proved to be stable and recyclable by determining the concentration of the leaching praseodymium ions and the catalyst’s activity after repeated use. The effect of the radical scavengers indicated that the catalytic ozonation process followed an OH reaction mechanism. In addition, we employed Chlorella and zebrafish as model organisms to investigate the aquatic toxicity of the treated solution and the dissolved praseodymium ions. We found that the aquatic toxicity of the reaction solution decreased with an increase in the degradation time, and no obvious toxicity was found for the dissolved praseodymium ions.

CAS / MDL: 15878-77-0
研究领域: 环境科学 · 催化材料 · 毒理学
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JOURNAL OF MOLECULAR STRUCTURE · 2021 · IF 3.196

Improved antifungal activity and reduced aquatic toxicity of fludioxonil by complexation with β-cyclodextrin

Qianqian Geng,Pingyang Sun,Gang Tang,Pingliang Li,Yuxiu Zhai

Poor water solubility results in limited fungicidal bioavailability and poses a great risk to non-target organisms due to the use of organic solvent in formulation processing. Here, the water solubility of fludioxonil (Flu) was improved by generating an inclusion complex with β-cyclodextrin (β-CD) at 1:1 host-guest stoichiometric ratio. The formation of the inclusion complex was confirmed by SEM, XRD, FT-IR, DSC, and 1 H-NMR spectra. Molecular docking simulation found that Flu was imbedded into the β-CD cavity, folded, and centrally aligned inside. In addition, Flu/β-CD displayed increased soil mobility, sustained release behavior, and a 2.75-fold increase of the fungicidal activity against Botrytis cinerea . Importantly, the prepared inclusion complex exhibited decreased acute toxicity to phytoplankton ( Chlorella vulgaris ), zooplankton ( Daphnia magna ), and fish ( Danio rerio ) than technical Flu. This study provided useful information for the rational use of Flu in agriculture, as well as the reduction of ecological risk to the aquatic environment.

研究领域: 农业科学 · 环境科学 · 药物化学
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ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY · 2021 · IF 6.291

Photochemical degradation of fragrance ingredient benzyl formate in water: Mechanism and toxicity assessment

Junji Wu,Yanpeng Gao,Yaxin Qin,Guiying Li,Taicheng An

Recently, fragrance ingredients have attracted increasing attention due to their imperceptible risks accompanying the comfortable feeling. To understand transformation mechanisms and toxicity evolution of benzyl formate (BF) in environment, its photochemical degradation in water was thoroughly studied herein. Results showed that 83.5% BF was degraded under ultraviolet (UV) irradiation for 30 min. Laser flash photolysis and quenching experiments demonstrated that triplet excited state ( 3 BF*), O 2 •− , and 1 O 2 were three main reactive species found during BF photodegradation. Eight degradation intermediates, including benzaldehyde, benzyl alcohol, o-cresol, bibenzyl, benzyl ether, 1,2-diphenylethanol, benzoic acid, and benzylhemiformal, were mainly formed as identified by LC-Q-TOF/MS and GC-MS analyses. Furthermore, the degradation mechanism was explained as the bond cleavage of 3 BF* and BF •+ , O 2 •− / 1 O 2 oxidation, e aq − reduction, and • OH addition reactions. Aquatic assessment suggests that except benzyl alcohol, benzoic acid, and benzylhemiformal, all the products were persistent and could result in increased aquatic toxicity compared to original BF. Consequently, these degradation products may cause more toxicity to organisms if they remain accumulated in water environment for a long time.

研究领域: 环境化学 · 毒理学 · 分析化学
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Cellulose-based nanocarrier for on-demand release and reduced aquatic toxicity of pyraclostrobin in fungal disease management

Xin Shi,Qizhen Zhang,Wanzhen Deng,Rongjia Zhou,Junting Zhang,Chuxian Yu,Tingting Wang,Maolin Hu,Xinlu Yue,Jianjun Hao,Xili Liu,Pengfei Liu

Achieving precise and environmentally safe delivery of fungicides remains a critical challenge in the development of pesticide nanocarriers. Here, we developed a pathogen-responsive nanocarrier for efficient and safe release of pyraclostrobin (Pyr). Pyraclostrobin-loaded ethyl cellulose (EC) nanoparticles were prepared via solvent evaporation, which were subsequently coated with a tannic acid–Cu 2+ (TCu) coordination network, denoted as Pyr@EC-TCu. This system exhibited multi-stimuli responsiveness, primarily triggered by cellulase, with pH and temperature acting as secondary cues. Upon exposure to cellulase, a cumulative 92 % of pyraclostrobin was released within 60 h, while the release remained below 51 % without enzymatic stimulus. This release mechanism enabled on-demand fungicide delivery at infection sites and reduced unintended environmental exposure. Moreover, the system exhibited high resistance to UV photodegradation and superior rainfastness. Compared with conventional formulations, the nanocarrier demonstrated superior control of rice sheath blight in greenhouse trials, with 88.9 % efficacy at 7 days and 81.0 % at 14 days. It also reduced acute toxicity to zebrafish by 7.7-fold and caused no observable phytotoxicity. This bioresponsive platform offers a promising strategy for precision agriculture by enabling targeted, eco-safe, and sustainable fungicide delivery.

CAS / MDL: 9004-57-3
研究领域: 农业科学 · 农药学 · 纳米毒理学 · 植物病理学 · 环境安全
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WATER RESEARCH · 2022 · IF 13.4

Chlorination of methotrexate in water revisited: Deciphering the kinetics, novel reaction mechanisms, and unexpected microbial risks

Shengqi Zhang,Qian Yin,Shangwei Zhang,Kyriakos Manoli,Lei Zhang,Xin Yu,Mingbao Feng

Chlorination of a typical anticancer drug with annually ascending use and global prevalence (methotrexate, MTX) in water has been studied. In addition to the analysis of kinetics in different water/wastewater matrices, high-resolution product identification and in-depth secondary risk evaluation, which were eagerly urged in the literature, were performed. It was found that the oxidation of MTX by free available chlorine (FAC) followed first-order kinetics with respect to FAC and first-order kinetics with respect to MTX. The pH-dependent rate constants ( k app ) ranged from 170.00 M −1  s −1 (pH 5.0) to 2.68 M −1  s −1 (pH 9.0). The moiety-specific kinetic analysis suggested that 6 model substructures of MTX exhibited similar reactivity to the parent compound at pH 7.0. The presence of Br − greatly promoted MTX chlorination at pH 5.0–9.0, which may be ascribed to the formation of bromine with higher reactivity than FAC. Comparatively, coexisting I − or humic acid inhibited the degradation of MTX by FAC. Notably, chlorination effectively abated MTX in different real water matrices. The liquid chromatography-high resolution mass spectrometry analysis of multiple matrix-mediated chlorinated samples indicated the generation of nine transformation products (TPs) of MTX, among which seven were identified during FAC oxidation for the first time. In addition to the reported electrophilic chlorination of MTX (the major and dominant reaction pathway), the initial attacks on the amide and tertiary amine moieties with C-N bond cleavage constitute novel reaction mechanisms. No genotoxicity was observed for MTX or chlorinated solutions thereof, whereas some TPs were estimated to show multi-endpoint aquatic toxicity and higher biodegradation recalcitrance than MTX. The chlorinated mixtures of MTX with or without Br − showed a significant ability to increase the conjugative transfer frequency of plasmid-carried antibiotic resistance genes within bacteria. Overall, this work thoroughly examines the reaction kinetics together with the matrix effects, transformation mechanisms, and secondary environmental risks of MTX chlorination.

研究领域: 环境化学 · 水处理 · 毒理学 · 微生物学 · 药学
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