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Journal of Forensic and Legal Medicine · 2024 · IF 1.2

Systematic forensic identification of a homicide by brodifacoum poisoning: A case report

Zhonghao Yu,Yuhao Yuan,Qing Shi,Hang Gao,Erjuan Zhao,Jinghong Ma,Yiwu Zhou

Brodifacoum, a long-acting anticoagulant rodenticide, exerts inhibitory effects on blood coagulation factor synthesis, leading to abnormal clotting function and potential fatality. Poisoning of accidental exposure to brodifacoum is not rare, but death from brodifacoum poisoning can be largely avoided with timely and long-term effective treatments, consequently, forensic data on fatalities due to brodifacoum poisoning may be limited. This paper presents a case of brodifacoum-induced homicide, detailing the medial records and pathological changes observed in multiple organs. Furthermore, t liquid chromatography–tandem mass spectrometry (LC-MS/MS) was employed to measure the concentrations of brodifacoum in blood, hydropericardium, and urine 40 days post-poisoning (1 day post-mortem), yielding values of 0.097 μg/mL, 0.089 μg/mL, and 0.007 μg/mL respectively. The aim of this article is to contribute towards forensic identification of fatalities resulting from brodifacoum poisoning while also serving as a reference for clinical diagnosis in similar cases.

CAS / MDL: 631-61-8
研究领域: 法医学 · 毒理学
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ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY · 2024 · IF 6.2

Exploring the effects of perfluorooctanoic acid (PFOA) and tetrabromobisphenol A (TBBP-A) on silkworm from the insights of metabolome

Xing Zhang,Yifei Kong,Zihan He,Wenbin Yu,Wenjing Shao,Chengliang Gong,Wenlin Zhou,Xiaolong Hu

Perfluorooctanoic acid (PFOA) and tetrabromobisphenol A (TBBP-A) are emerging environmental contaminants with recognized potential health and ecological risks. This study investigated the effects of PFOA and TBBP-A exposure on the global of metabolites of silkworm gut with GC-MS metabolomics. Our results revealed distinct metabolic alterations in silkworms exposed to PFOA and TBBP-A, highlighting their differential impacts on silkworm health and productivity. Exposure to these chemicals significantly altered metabolic profiles, leading to disruptions in pathways related to lipid, carbohydrate, and amino acid metabolism. These findings suggest that PFOA and TBBP-A disrupt crucial metabolic processes in silkworms, indicating potential toxicity and prompting further investigation into their effects on human health and the environment. Ongoing research is crucial to develop safer alternatives and mitigate the risks associated with these persistent contaminants.

CAS / MDL: 79-94-7
研究领域: 环境科学 · 昆虫学 · 代谢生物学
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Current Pharmaceutical Analysis · 2023 ·Vol. 19 ·期 6 ·511-520 · IF 0.6

Determination of Two Potential Genotoxic Impurities in Crisaborole API by UPLC-MS/MS

Zhang Mengmeng,Zou Qiaogen

Background: Atopic dermatitis (AD) is an allergic skin disease that can be inherited. Crisaborole is a specific drug developed to deal with this disease. The compounds of 4-(4- Bromo-3-formyl-phenoxy)-benzonitrile and 4-(4-(4-bromo-3-formylphenoxy)-3- formylphenoxy) benzonitrile are the representative impurities in the synthesis of Crisaborole active pharmaceutical in gradient (API). Owing to the genotoxic impurities that could lead to cancer and gene mutations, it is necessary to develop a simple, efficient, sensitive, and accurate method to detect these impurities. In this study, the 4-(4-Bromo-3-formyl-phenoxy)-benzonitrile and 4-(4-(4- bromo-3-formylphenoxy)-3-formylphenoxy)benzo- nitrile present in Crisaborole API were detected using UPLC-MS/MS. Methods: The separation was made on a ZORBAX Eclipse XDB-Pheny column (4.6 mm ×75mm, 3.5 μm) with the mobile phase of acetonitrile solution containing 0.1% trifluoroacetic acid (A) and water containing 0.1% formic acid (B) in gradient elution mode. Quantification was performed using positive ion electrospray ionization (ESI), and the contents of two compounds were determined using the multiple reaction monitoring (MRM) modes. Results: The quantitative analytical method was fully validated with respect to linearity (r > 0.9998), sensitivity, precision, accuracy (the average recovery of two impurities was 84.1% to 90.7%), and robustness. Conclusion: Three batches of samples were detected by UPLC-MS/MS, indicating that the proposed approach was applicable for the quality evaluation of Crisaborole.

研究领域: 药物分析 · 皮肤病学 · 毒理学
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WATER RESEARCH · 2024 · IF 11.4

Control of drinking water disinfection byproducts with a novel bromide-selective anion exchange resin: Design, mechanism, and performance

Lu Jiang,Xingqi Zhu,Yifan Shen,Dongxiao Wang,Jiafeng Ren,Aimin Li,Yang Pan

ABSTRACT In regions where drinking water sources containing elevated bromide levels, the formation of brominated disinfection byproducts (Br-DBPs) is enhanced, which may increase risks of cancer and birth defects. Anion exchange resin (AER) adsorption is a promising approach for reducing precursors of Br-DBPs (e.g., bromide and natural organic matter) due to its strong electrostatic force for reversible ion exchange process. However, high bromide water sources typically have high salinities, and the presence of co-existing ions (e.g., sulfate, nitrate, chloride) can significantly diminish the efficiency of conventional AERs, which use polyacrylic or polystyrene skeletons with trimethyl-ammonium functional groups. This study designed a novel AER with the polystyrene skeleton and tripentyl-ammonium functional group for the selective bromide removal, which resisted interferences from co-existing ions based on ion dehydration and ion-pairing electrostatic interactions. Column experiments with continuous high-bromide water flows demonstrated that the novel AER exhibited up to three times the operating capacity of conventional AERs, achieving reductions of 71.2 %, 44.6 %, and 67.7 % in bromide, dissolved organic carbon, and specific UV absorbance, respectively. Competitive experiments showed that the novel AER's strong sulfate interference resistance enhanced its bromide selectivity. The electrostatic interactions between AER fragments and bromide or sulfate particles were quantitatively evaluated using density functional theory calculations. Treatment with the novel AER led to reductions in total organic bromine, aliphatic Br-DBPs, and cyclic Br-DBPs by 76.7 %, 62.5 %, and 90.5 %, respectively. Notably, cytotoxicity assays using Chinese hamster ovary cells indicated a 39.7 % decrease in overall cytotoxicity of chlorinated drinking water following treatment with the novel AER.

CAS / MDL: 121-44-8
研究领域: 环境科学 · 水处理 · 化学工程 · 毒理学
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ENVIRONMENTAL SCIENCE & TECHNOLOGY · 2024 · IF 10.8

Trace Br– Inhibits Halogenated Byproduct Formation in Saline Wastewater Electrochemical Treatment

Wenxiao Zheng,Xin Luo,Hengyi Fu,Weijian Duan,Shishu Zhu,Xin Yang,Chunhua Feng

The electrochemical technology provides a practical and viable solution to the global water scarcity issue, but it has an inherent challenge of generating toxic halogenated byproducts in treatment of saline wastewater. Our study reveals an unexpected discovery: the presence of a trace amount of Br– not only enhanced the electrochemical oxidation of organic compounds with electron-rich groups but also significantly reduced the formation of halogenated byproducts. For example, in the presence of 20 μM Br–, the oxidation rate of phenol increased from 0.156 to 0.563 min–1, and the concentration of total organic halogen decreased from 59.2 to 8.6 μM. Through probe experiments, direct electron transfer and HO• were ruled out as major contributors; transient absorption spectroscopy (TAS) and computational kinetic models revealed that trace Br– triggers a shift in the dominant reactive species from Cl2•– to Br2•–, which plays a key role in pollutant removal. Both TAS and electron paramagnetic resonance identified signals unique to the phenoxyl and carbon-centered radicals in the Br2•–-dominated system, indicating distinct reaction mechanisms compared to those involving Cl2•–. Kinetic isotope experiments and density functional theory calculations confirmed that the interaction between Br2•– and phenolic pollutants follows a hydrogen atom abstraction pathway, whereas Cl2•– predominantly engages pollutants through radical adduct formation. These insights significantly enhance our understanding of bromine radical-involved oxidation processes and have crucial implications for optimizing electrochemical treatment systems for saline wastewater.

研究领域: 环境科学 · 电化学 · 水处理技术
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2019 · IF 14.229

Energy level mediation of (BiO)2CO3 via Br doping for efficient molecular oxygen activation and ciprofloxacin photodegradation

Xin Hu,Huiping Zhao,Ying Liang,Rong Chen

Solar-driven molecular oxygen activation is of great importance for reactive oxygen species (ROS) production in environmental remediation. In this work, a convenient bromine doping strategy was developed to mediate the energy level of Bi 2 O 2 CO 3 for molecular oxygen activation. The band structure and DFT calculation demonstrate that the Fermi level of Bi 2 O 2 CO 3 elevates after bromine doping, which promotes the molecular oxygen activation and ROS production. The Br-doped Bi 2 O 2 CO 3 exhibits remarkably enhanced photocatalytic ability and could degrade 95% of the ciprofloxacin within 30 min. Moreover, HPLC-MS analysis elucidates that the pyrrolidone ring degradation process is the dominate pathway in ciprofloxacin degradation over Br-doped Bi 2 O 2 CO 3 , resulting in the decrease of antimicrobial activity of the degradation products and the risk of drug-resistance. This work not only provides a molecular oxygen activation strategy via energy level mediation, but also helps us to further understand the relationship between the elemental doping and molecular oxygen activation.

研究领域: 环境科学 · 材料科学 · 化学
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WATER RESEARCH · 2020 · IF 9.13

Effect of bromide and iodide on halogenated by-product formation from different organic precursors during UV/chlorine processes

Ze-Chen Gao,Yi-Li Lin,Bin Xu,Ying Xia,Chen-Yan Hu,Tian-Yang Zhang,Hao Qian,Tong-Cheng Cao,Nai-Yun Gao

The effect of bromide and iodide on the transformation of humic acid (HA) and algal organic matter (AOM), and the formation of disinfection by-products (DBPs) during UV/chlorination were investigated. Experimental results indicated that the halides effectively inhibited mineralization, with multiple changes in organic molecule transformation due to differences in formation and speciation of reactive halogen species and free halogen. As a consequence, bromide and iodide also played important roles in DBP formation. The DBP yields in HA-containing water during UV/chlorination decreased in the order of iodide loaded > freshwater ≫ bromide loaded, whereas DBP formation in AOM-containing water decreased remarkably with halides added (freshwater > bromide loaded ≫ iodide loaded) at high UV fluence . Moreover, Pearson correlation analysis exhibited weaker correlation between DBPs and water parameters in AOM-containing water, while DBPs in HA-containing water exhibited better correlation with water parameters. For both simulated waters, the theoretical toxicity was calculated and peaked in bromide-containing water, whereas the calculated toxicity in iodide-containing water was comparable or slightly higher than that in freshwater. Therefore, UV/chlorine treatment may achieve good quality water with reduced DBP-associated toxicity in freshwater or iodide-containing water (iodide only), but careful consideration is needed when purifying source waters containing bromide (bromide only), especially for AOM/bromide-containing water.

研究领域: 环境科学 · 水处理工程
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

In-situ conversion of BiOBr to Br-doped BiOCl nanosheets for “rocking chair” zinc-ion battery

Yuzhu Qian,Qing Zhang,Lijuan Chen,Yaoyong Dong,Ting Song,Yong Pei,Xianyou Wang,Xiongwei Wu,Xuejun Zheng,Wenyuan He,Bei Long

Developing insertion-type anodes is essential for designing high-performance “rocking chair” zinc-ion batteries. BiOCl shows great potential as an insertion-type anode material for Zn 2+ storage due to its high specific capacity and unique layered structure. However, the development of BiOCl has been significantly hampered by its poor stability and kinetics during cycling. In this study, Br-doped and carbon-coated BiOCl ultrathin nanosheets (Br-BiOCl@NC) are synthesized as high-performance anodes. The ultrathin nanosheet morphology facilitates Zn 2+ /H + transfer and the Br doping reduces the Zn 2+ /H + diffusion barrier. Additionally, the carbon coating enhances the electronic transfer. Furthermore, an insertion-conversion mechanism involving H + and Zn 2+ storage is revealed by ex-situ tests. Therefore, Br-BiOCl@NC exhibits a high discharge capacity of 174 mA h/g at 500 mA/g without capacity degradation after 1000 cycles. The Br-BiOCl@NC//MnO 2 full cell presents a discharge capacity of ≈ 120 mA h/g at 200 mA/g. This work offers valuable insights for the design of high-performance insertion-type anode materials in zinc-ion batteries.

CAS / MDL: 132361-22-9
研究领域: 材料科学 · 电化学
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WATER RESEARCH · 2025 · IF 12.4

Photochemical transformation of the uricosuric drug benzbromarone in aqueous solutions exposed to UV irradiation

Yan Cai,Xiaoci Li,Peizeng Yang,Jing Chen,Junhe Lu,Jean-Marc Chovelon,Yuefei Ji

As one of benzophenone-derived drugs, benzbromarone (BBM) has been widely used to reduce blood uric acid, treat gout, and gouty arthritis. Understanding the transformation and fate of BBM in natural and engineered systems is critical for its ecological risk assessment. In this study, we systematically investigated the photochemical behavior of BBM in aqueous solutions under laboratory UV 254 irradiation. UV-vis spectra show that an aqueous solution of BBM is capable of absorbing UV photons at 200 - 400 nm. Spectroscopic titration indicates that BBM with a p K a value of 4.83 ± 0.17 is present mainly as the phenolate form under circumneutral conditions. BBM undergoes rapid direct photolysis when exposed to UV 254 irradiation and the quantum yields were determined to be 0.0105 and 0.0196 mol E −1 for phenol and phenolate forms, respectively. The heavy atom effect of bromine and spin-orbit coupling effect of aromatic ketone make dibromophenol and carbonyl moieties the critical chromophores accounting for the high photoreactivity of BBM. Laser flash photolysis and electron paramagnetic resonance studies suggest that the photolysis of BBM is initiated by ultrafast photodebromination and Norrish I cleavage. The high yield of bromide determined by ion chromatograph highlights the importance of photodebromination. Due to the light screening effect of wastewater components, the photolysis of BBM in hospital wastewater is inhibited. Photo-induced modification of the dibromophenol moiety of BBM likely generates photoproducts showing toxicity to luminescent bacteria. Overall, our results reveal that photochemical reaction under UV irradiation plays an important role in the attenuation of BBM in engineered water.

CAS / MDL: 10102-40-6
研究领域: 环境科学 · 药理学 · 毒理学
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Journal of Environmental Chemical Engineering · 2024 · IF 7.4

Effect of inorganic anions on quinoline removal by catalytic ozonation: Performance and mechanism

Zhaochang Wu,Sijie Ge,Ying Han,Mengchen Zong,Shilong He,Jie Zhang

Heterogeneous catalytic ozonation is widely used in advanced treatment for the removal of refractory organics from bio-treated coking wastewater. However, the effect of inorganic anions on quinoline removal by catalytic ozonation remains unclear. In this study, the effect of three inorganic anions including Cl - , Br - , SO 4 2- on performance and mechanism for quinoline removal by TiO 2 catalyst was investigated. Results indicated that all three anions have inhibitory effects on quinoline removal; meanwhile Br - exhibited the strongest inhibition. Furthermore, the effect of factors including initial solution pH, ozone concentration, catalyst dosage and coexistence of anions on Br - inhibition was explored. The Br - inhibition mechanism was further systematically analyzed by characterizing the physicochemical properties of catalysts and investigating free radicals and quinoline degradation pathways. The inhibition caused by Br - became stronger with the coexistence of SO 4 2- . The presence of Br - reduced the amount of oxygen vacancies and active sites on catalysts. Also, the activity and stability of catalysts decreased because of the Ti ions leaching, which was obviously exacerbated as the coexistence of SO 4 2- . Moreover, the Br - and SO 4 2- both could react with •OH to form abundant RHS (BrOH •- , Br• and Br 2 •- ) with low oxidative activity to further inhibit quinoline removal. The radical scavenging tests demonstrated that the main reactive oxygen species (ROS) was changed from •OH to O 2 •- and 1 O 2 in the catalytic ozonation system by the introduction of Br - and SO 4 2- . Meanwhile, brominated byproducts were found to be generated during the degradation of quinoline by GC-MS analysis.

研究领域: 环境科学 · 化学工程
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Environmental Science-Water Research & Technology · 2024 · IF 3.5

Combined oxidation and in-situ coagulation in iron-activated sulfite process for tribromophenol removal in actual water matrix

Fan Bai,Zongping Wang,Guodong Wan,Lisan Cao,Yujie Cheng,Zhenbin Chen,Pengchao Xie

In this study, Fe(III)/sulfite (S(IV)) system was used to treat two actual water samples including a lake water sample and a secondary sedimentation tank effluent sample containing tribromophenol (TBP) with combined pre-oxidation and coagulation process. This process not only efficiently removed TBP but also facilitated the removal of background organic compounds. The treatment efficiency increased with the increased S(IV) addition times. The results from scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) showed that the in-situ generated flocs in the Fe(III)/S(IV) system exhibited enhanced specific surface area, adsorption capacity, and coagulation properties compared to those produced in single Fe(III) coagulation, with generating more Fe3O4 particles. The treatment efficiencies of TBP and background organic materials initially rose and then fell with an increase in S(IV) dosage. Moderately incrementing Fe(III) dosage also boosted the removal of TBP and background organic substances, whereas excessive Fe(III) dosage provided limited additional benefits. In the selected pH range of 3-8, good removal of turbidity could be always achieved, and the best removal of TBP and background organic substances was found at pH 4. Overall, this study indicated that the Fe(III)/S(IV) system with combined pre-oxidation and coagulation process would be an effective treatment strategy for aquatic organic micropollutants.

CAS / MDL: 118-79-6
研究领域: 环境科学 · 水处理技术
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ACS Applied Materials & Interfaces · 2024 · IF 8.3

CsBr-Triggered Reversible Phase Transition of Perovskite Nanocrystals for Advanced Information Encryption and Decryption

Qing Xu,Tianwei Zhang,Mengjia Liu,Min Wang,Kun Cao,Rong Chen

Luminescent perovskite nanocrystals (NCs), possessing the advantages of low cost, easy detection, and excellent luminescence, are becoming more and more significant in the fields of information encryption and decryption. Most hydrochromic perovskite NCs for information encryption have moderate reversibility and are easily passively decrypted by water in the moist air, limiting their practical applications. Herein, a lyochromic material is synthesized based on reversible phase transition between luminescent CsPbBr3–HBr (pretreating CsPbBr3 with HBr) and nonluminescent Cs4PbBr6, exhibiting excellent reversibility in 50 cycles triggered by CsBr solution. HBr treatment boosts the ion migration of NCs via diminishing surface ligands and passivating Br vacancy, assisting CsBr concentration acting as a crucial factor in dynamic ion exchange equilibrium between the trigger solution and CsPbBr3–HBr. By utilizing CsPbBr3–HBr as a safety ink, the CsBr-triggered photoluminescence switch has been demonstrated to be reproducible, stable, and reliable for information encryption and decryption.

研究领域: 材料科学 · 光学
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