AQUATIC TOXICOLOGY
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2023
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IF 4.5
Ferry Saputra,Michael Edbert Suryanto,Gilbert Audira,Cao Thang Luong,Chih-Hsin Hung,Marri Jmelou Roldan,Ross D. Vasquez,Chung-Der Hsiao
Daphnia magna is one species of water flea that has been used for a long time for ecotoxicity studies. In addition, Daphnia has a myogenic heart that is very useful for cardiotoxicity studies. Previous attempts to calculate the cardiac parameter endpoints in Daphnia suffer from the drawback of tedious operation and high variation due to manual counting errors. Even the previous method that utilized deep learning to help the process suffer from either overestimation of parameters or the need for specialized equipment to perform the analysis. In this study, we utilized DeepLabCut software previously used for animal pose tracking and demonstrated that ResNet_152 was the best fit for training the network. The trained network also showed comparable results with ImageJ and Kymograph, which was mostly done manually. In addition to that, several macro scripts in either Excel or Python format were developed to help summarize the data for faster analysis. The trained network was then challenged to analyze the potential cardiotoxicity of imidacloprid and pendimethalin in D. magna , and it showed that both pesticides cause alteration in their cardiac performance. Overall, this method provides a simple and automatic method to analyze the cardiac performance of Daphnia by utilizing DeepLabCut . The method proposed in this paper can contribute greatly to scientists conducting fast and accurate cardiotoxicity measurements when using Daphnia as a model.
研究领域:
生态毒理学
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计算生物学
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心血管研究
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产品关联
DOI
PubMed
高影响因子
Bioactive Materials
·
2022
·
IF 16.874
Yi Xiao,Haomin Yi,Jingzhi Zhu,Suhua Chen,Guofang Wang,Yilong Liao,Yuanyuan Lei,Liyin Chen,Xingcai Zhang,Fangfu Ye
Toxicity assessment is a major problem in pharmaceutical candidates and industry chemicals development. However, due to the lack of practical analytical methods for DNA adduct analysis, the safety evaluation of drug and industry chemicals was severely limited. Here, we develop a DNAzyme-based method to detect DNA adduct damage for toxicity assessment of drugs and chemicals. Among 18 structural variants of G4 DNAzyme, EA2 DNAzyme exhibits an obvious DNA damaging effect of styrene oxide (SO) due to its unstable structure. The covalent binding of SO to DNAzyme disrupts the Hoogsteen hydrogen bonding sites of G-plane guanines and affects the formation of the G4 quadruplex. DNA damage chemicals reduce the peroxidase activity of the G4 DNAzyme to monitor the DNA adduct damage by disrupting the structural integrity of the G4 DNAzyme. Our method for genotoxic assessment of pharmaceutical candidates and industrial chemicals can elucidate the complex chemical pathways leading to toxicity, predict toxic effects of chemicals, and evaluate possible risks to human health.
研究领域:
分子生物学
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毒理学
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药学
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化学工程
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产品关联
DOI
PubMed
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
·
2024
·
IF 8.2
Shengnan Chen,Zhiwei Zhao,Li Li,Fuyi Cui
Ultrafiltration (UF) is widely used in drinking water plants, nevertheless, it still encounters challenges stemming from inevitable membrane fouling caused by natural organic matter (NOM). Herein, this work applied VUV/PS as UF membrane pretreatment and used UV/PS for comparison. VUV/PS system exhibited superior ability in removing NOM compared to UV/PS system. HO and SO 4 − played crucial roles in the degradation. [SO 4 − ]ss was notably higher than [HO ]ss in the systems, yet HO was of greater significance. [HO ]ss and [SO 4 − ]ss in the VUV/PS process were remarkably higher than those in the UV/PS process, due to the function of 185 nm photons. VUV/PS pretreatment basically recovered flux and effectively reduced fouling resistance, with better performance than UV/PS. Fouling mechanism was dominated by multiple mechanisms after UV/PS pretreatment, whereas it was transformed into pore blockage after VUV/PS pretreatment. Moreover, the UF effluent quality after VUV/PS pretreatment outperformed that of UV/PS but fell short of that without pretreatment, possibly due to the generation of abundant low MW substances under the action of HO and SO 4 − . After chlorine disinfection, UV/PS and VUV/PS pretreatments increased the DBPs production and cytotoxicity. Specifically, oxidant PS affected the membrane surface morphology and fouling behaviors, and had no obvious effect on interception performance and mechanical properties. In actual water treatment, VUV/PS and UV/PS pretreatments exhibited excellent performance in alleviating membrane fouling, improving water quality, and reducing DBPs formation and acute toxicity.
研究领域:
环境科学
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水处理工程
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产品关联
DOI
PubMed
高影响因子
Journal of Water Process Engineering
·
2024
·
IF 6.3
Tianmin Gong,Chunmei Gao,Shifeng Ji,Yunqing Xing
2-Methyl-4-chlorophenoxyacetic acid (MCPA) is a herbicide that poses a threat to the environment. In this study, MIL-88A was utilized as a photocatalyst to degrade MCPA. Results demonstrated that the Light/MIL-88A/H 2 O 2 system exhibited remarkable photo-Fenton catalytic activity . Under optimal conditions of pH = 3.8, H 2 O 2 concentration of 1.2 mL/L, MIL-88A dosage of 0.2 g/L and an initial MCPA solution concentration of 50 mg/L, the degradation efficiency reached its peak, achieving a 99.9 % degradation rate of MCPA within 60 min. The morphology, structure, and photocatalytic performance of MIL-88A were investigated using characterization techniques such as SEM, XRD , XPS , and UV–vis DRS . Free radical quenching experiments and ESR characterization demonstrated that the main active material in the degradation of MCPA was •OH. The possible degradation pathways of MCPA were hypothesized by combining the results of Gaussian software and LC-MS analysis. Furthermore, the toxicity of MCPA was evaluated using T.E.S.T. software and mung bean germination experiments. The results revealed that the degradation of MCPA by Light/MIL-88A/H 2 O 2 system could achieve solution detoxification .
研究领域:
环境科学
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化学工程
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产品关联
DOI
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
·
2024
·
IF 8.2
Yuqi Li,Jian Chen,Wenjing Luo,Shujie Zhang,Baotong Li,Wenwen Zhou
As new pesticides are continually introduced into agricultural systems, understanding their environmental behavior and potential toxicity effects is crucial for effective risk assessment. This study utilized QuEChERS and UPLC-QTOF-MS/MS techniques to analyze Tiafenacil (TFA) and its six hydrolysis products (HP1 to HP6) in water, marking the first comprehensive report on these degradation products. Calibration curves demonstrated strong linearity (R 2 ≥ 0.9903) across concentrations ranging from 0.02 to 3.50 mg L −1 . TFA's hydrolysis followed single first-order kinetic (SFOK) model, with rapid degradation observed under alkaline and high-temperature conditions, resulting in half-lives ranging from 0.22 to 84.82 days. The ECOSAR model predicts that TFA's hydrolysis products exhibit acute and chronic toxicity to fish, Daphnia, and green algae. Additionally, hydrolysis products HP1, HP5, and HP6 were detected in irrigation water from citrus orchards, posing higher predicted toxicity risks to fish and green algae. This highlights the necessity for further risk assessments considering transformation products. Overall, this study enhances our understanding of TFA's environmental fate and supports its safe agricultural application and monitoring practices.
研究领域:
环境科学
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毒理学
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分析化学
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产品关联
DOI
PubMed
高影响因子
Journal of Environmental Chemical Engineering
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2021
·
IF 5.909
Abdul Latif,Ahsan Maqbool,Kai Sun,Youbin Si
The present work investigated the immobilization of laccase ( Trametes versicolor ) on Cu-alginate beads by entrapment method and its utilization to degrade bisphenol A (BPA) in aqueous medium. The immobilized laccase demonstrated higher storage stability as compared to free enzyme. Box-Behnken experimental design was used to optimize the immobilization conditions (sodium alginate concentration, CuSO 4 molarity, and hardening time). The optimal conditions were found to be 3% sodium alginate concentration (W/V), 0.141 mM CuSO 4 and 90 min hardening time. Experimental data exhibited that immobilized laccase (0.5 g) could degrade 96.12% of BPA (10 mg/L) at pH 5.0, 30°C, 150 rpm and 1 h of reaction. The degradation products of BPA were identified by LC-MS analysis; hence the degradation pathways were suggested. The toxicity of BPA products was judged by phytotoxicity test. Immobilized laccase could also degrade BPA in real water, hence could be considered as an efficient candidate for removing BPA in water.
研究领域:
环境科学
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生物技术
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DOI
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
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2024
·
IF 8.2
Mingxing Yue,Ting Li,Yuan Huang,Bin Zhang,Zhiqing Ma
Environmental safety assessments are crucial in the research and application of new pesticides. Cuminum cyminum is a widely cultivated crop rich in the antifungal compound cumic acid, which potential can be developed into a new type of botanical fungicide. This study presents an environmental safety assessment of Cuminum cyminum extract and its bioactive component, cumic acid, as prospective agents for botanical fungicides. Evaluation of their toxicity to non-target organisms showed a low impact on silkworms, fish, earthworms, tadpoles, and crops, but moderate toxicity to quails and bees. In addition, adsorption and leaching analyses showed that cumic acid has a strong affinity for soil, resulting in high pesticide concentrations in the topsoil layers and a low leaching tendency. The degradation rate of cumic acid in diverse agricultural soils was rapid, with half-lives ranging from 4.05 to 5.09 days, indicating a low potential for environmental accumulation. Degradation and photolysis studies also showed that cumaric acid did not accumulate readily in the environment. These comprehensive findings highlight the safety and agricultural potential of cumic acid-based products, with implications for the advancement of eco-friendly botanical fungicides derived from cumin extracts.
研究领域:
环境科学
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植物保护
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毒理学
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产品关联
DOI
PubMed
高影响因子
CHEMOSPHERE
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2021
·
IF 7.086
Jie Tian,Beibei Li,Ruijuan Qu,Dongmei Zhou,Cheng Sun,Zunyao Wang,Feng Zhu
In this article, the degradation of 4, 4’-(hexafluoroisopropylidene) diphenol (bisphenol AF, BPAF) by ozone was studied and toxicity of the degradation products was evaluated. Kinetic studies showed that acidic conditions were more conducive to the ozone degradation of BPAF than alkaline conditions. In the presence of common anions, Br − and SO 4 2− promoted the degradation of BPAF, whereas NO 2 − , NO 3 − , HSO 3 − inhibited the degradation, and the other anions and cations had no significant effect. The degradation products were analyzed by mass spectrometry, and were mainly manifested in hydroxylation, carboxylation and cleavage of benzene ring. The addition of NO 2 − , HSO 3 − and Br − produced the corresponding free radicals , resulting in the parent compound being attacked and affecting the degradation efficiency and pathways. The theoretical calculated results showed that the ortho-site of the BPAF phenolic hydroxyl group was more active than the meta-position, and it's more likely for free radicals to attack ortho-sites and initiate substitution reactions. Toxicity assessment of the products in the process of ozone degradation showed that toxicity of the products was reduced by benzene ring cleavage and a reduction in the F atomic number. However, the toxicity of nitro and brominated products of BPAF was increased. These findings provide some new insights into the role of common ions in ozonation process and product formation, and supplement the existing conclusions. The results of this study remind future researchers to concern that inorganic ions in real water may be converted into corresponding free radicals that affect the formation of ozone oxidation products.
研究领域:
环境科学
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化学
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毒理学
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DOI
高影响因子
Fishes
·
2025
·Vol. 10
·期 6
·248
·
IF 2.4
Qianxue Shao,Yongming Ruan,Ru Liang,Ruixin Jin,Zhixi Jin,Lin Xie,Yongqing Chi,Jiaojiao Xia,Pingyang Zhu
Integrated rice–fish farming, crucial for sustainable agriculture, relies on the judicious use of pesticide. This study evaluates the toxicity of six common rice-field pesticides onProcypris merus(rice flower carp), a key species in these systems. We conducted acute and chronic toxicity tests, assessing survival, growth, oxidative stress (SOD, CAT, MDA, 8-OHdG), and neurotoxicity (AChE). Results revealed a spectrum of toxicity: abamectin and trifloxystrobin were highly toxic; pretilachlor was moderately so; and glufosinate-ammonium, triflumezopyrim, and thiazole zinc were low. Notably, triflumezopyrim induced significant oxidative stress and DNA damage, while all three low-toxicity pesticides inhibited AChE activity, indicating potential neurotoxicity. Despite these effects, all observed toxicities were reversible within 7–14 days. Considering that the tested concentrations exceeded typical field application rates, glufosinate-ammonium, triflumezopyrim, and thiazole zinc are deemed relatively safe forP. merusat recommended dosages. Our findings provide critical insights for optimizing pesticide selection in rice–fish farming, balancing pest control with ecological safety, thereby informing sustainable agricultural practices.
研究领域:
生态毒理学
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水产养殖
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农业科学
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产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2019
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IF 8.355
Guilin He,Tuqiao Zhang,Feifei Zheng,Cong Li,Qingzhou Zhang,Feilong Dong,Yuan Huang
Fleroxacin (FLE) is an emerging third-generation fluoroquinolone antibacterial agent (FQs) that has been frequently detected in aqueous environments. However, there is a lack of sufficient knowledge regarding the transformation mechanisms of FLE within drinking water distribution systems (DWDSs) when residual chlorine and ClO 2 are present. To address this gap, this study makes the first attempt to explore the kinetics, transformation byproducts and toxicity variations during fleroxacin (FLE, an emergent pollutant) degradation by chlorine and ClO 2 in a pilot-scale DWDSs. The obtained results show that (i) the FLE degradation rate by chlorine was higher than by ClO 2 at pH 7.4 in the pilot-scale DWDSs; (ii) the degradation efficiency of FLE was significantly affected by pH, with FLE degradation by chlorine possessing the highest rate at neutral pH, and the degradation rate was positively correlated with pH (from 6.5 to 9) during the ClO 2 disinfection process; (iii) pipe materials can appreciably affect the relative performance of the FLE degradation efficiency by chlorine and ClO 2 ; (iv) seven and eight intermediates are identified during chlorination and ClO 2 oxidation, respectively, and the cleavage of the piperazine group was the committed step and the main oxidation reaction, and (v) the toxicity assessment demonstrates that the toxicity of FLE chlorination and ClO 2 are both higher than the blank experiment, and ClO 2 disinfection can reduce the potential risk compared to the chlorine disinfection.
研究领域:
环境科学
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公共卫生
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毒理学
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产品关联
DOI
高影响因子
Environmental Science and Ecotechnology
·
2021
·
IF 0
Bo Yang,Xin Cheng,Yongli Zhang,Wei Li,Jingquan Wang,Hongguang Guo
The transformation of free state organic micro-pollutants (MPs) has been widely studied; however, few studies have focused on mixed and bound states MPs, even though numerous ionizable organic MPs process a strong tendency to combine with dissolved organic matters in aquatic environments. This study systemically investigated the distribution and toxicity assessment of tetracycline (TET) transformation products in free, mixed and bound states during UV, UV/H 2 O 2 , UV/PS and CNTs/PS processes. A total of 33 major transformation products were identified by UPLC-Q-TOF-MSMS analysis, combining the double bond equivalence and aromaticity index calculations. The binding interaction would weaken the attack on the dimethylamino (-N(CH 3 ) 2 ) group and induce the direct destruction of rings A and B of TET through the analysis of 2D Kernel Density changes and density functional theory (DFT) calculations. Toxicity assessment and statistics revealed that the intermediate products with medium molecular weight (230≤ m / z ≤ 380) exhibited higher toxicity, which was closely related to the number of the rings in molecular structures (followed as 2»3 > 1≈4). A predicted toxicity accumulation model (PTAM) was established to evaluate the overall toxicity changes during various oxidation processes. This finding provides new insight into the fate of bound MPs during various oxidation processes in the natural water matrix.
研究领域:
环境科学
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毒理学
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化学
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产品关联
DOI
PubMed
SCIENCE OF THE TOTAL ENVIRONMENT
·
2021
·
IF 7.963
Kanming Wang,Ji Shu,Virender K. Sharma,Cong Liu,Xiping Xu,Nasri Nesnas,Hongyu Wang
Imidacloprid (IMI), an emerging pollutant, has high toxicity to non-target organisms. This paper presents the kinetics of IMI removal by ferrate(VI) at different pH (6.0–9.0), molar ratios ([ferrate(VI)]:[IMI]) and added Fe(III) ions. The apparent second-order rate constant ( k app ) decreased with increase in pH from pH 6.0 to 9.0 (i.e., (1.2 ± 0.1) × 10 2 M −1 s −1 to (8.3 ± 0.3) M −1 s −1 ). The species-specific rate constants were obtained as k (HFeO 4 − ) = 1.3 × 10 2 M −1 s −1 and k (FeO 4 2− ) = 6.9 M −1 s −1 . The decreases in the concentration of HFeO 4 − with increase in pH caused the observed pH dependence in k app . At pH 7.0, the removal of IMI increased with the molar ratio from 1.0 to 10.0 with complete removal at the highest ratio. The variation in pH from 6.0 to 9.0 had no obvious effect on removal of IMI. Experiments indicate that IMI removal is mainly by ferrate(VI) oxidation and to a lesser extent by Fe(III) adsorption. Mineralization of IMI was also observed (20–26%). The addition of Fe(III) ions to ferrate(VI)-IMI at pH 7.0 and 8.0 resulted in enhanced removal of IMI, but the presence of Ca 2+ , SO 4 2− , HCO 3 − , and humic acid (HA) has negative effects. The presence of coexisting substances in river water slightly decreased IMI removal by ferrate(VI) by less than 10%. Identification of products and frontier electron density (FED) calculations demonstrated involvement of opening of the five-membered heterocyclic moiety of IMI by ferrate(VI). Toxicity assessment with NIH 3T3 fibroblasts and ECOSAR analysis indicated lower toxicity of oxidized products than parent IMI.
研究领域:
环境科学
·
化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）