FOOD AND CHEMICAL TOXICOLOGY
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2012
·
IF 2.999
Ying Liu,Rutao Liu
Great attention is devoted to persistent organic pollutant (POP), among which the pesticide dicofol is critical related to food safety and might raise the risk of cancer incidence. To take a comprehensive evaluation of its toxicity, we investigated its interaction with a serine protease α-chymotrypsin by multi-spectroscopic techniques and molecular modeling method. UV–vis absorption, synchronous fluorescence, and circular dichroism data elucidated that dicofol unfolded the framework of α-chymotrypsin and led to secondary structure changes. The fluorescence and lifetime assay determined the static quenching mode and binding parameters. As an auxiliary method, molecular modeling has displayed the specific binding site and information about binding forces and drug-residues distances which were consistent with conclusions from above. Additional, enzyme activity assay gave evidence at the functional aspect to clarify the fact that dicofol could contribute to the conformational changes and furthermore alter the function of the enzyme.
研究领域:
生物化学
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环境毒理学
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食品安全
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PubMed
高影响因子
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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2011
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IF 1.77
Ying Liu,Rongxiang Cao,Pengfei Qin,Rutao Liu
Because of the widespread concern that persistent organic pollutants (POPs) may be adversely affecting the health of humans, reliable assessing their toxic effects is urgently needed. We selectively study the interaction between dicofol (DCF) and trypsin by steady state and time resolved fluorescence quenching measurements and UV–visible absorption spectroscopy under physiological conditions as well as applying molecular docking method to establish the interaction model. The fluorescence results indicate DCF can spontaneously form a complex with trypsin mainly by hydrogen bond with only one binding site, which had been validated in molecular docking. The conformational change of trypsin was proved by UV–visible absorption and synchronous fluorescence spectroscopy indicating a red shift of carbonyl absorption peak. All the results indicated DCF had potential toxic effects on both the structure and activity of the enzyme trypsin and the effects enhanced with the increasing concentration of DCF.
研究领域:
环境生物学
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生物化学
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毒理学
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PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
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2014
·
IF 4.258
Hongyuan Yan,Chen Yang,Yunyun Sun,Kyung Ho Row
A new type of ionic liquid molecularly imprinted polymers (IL–MIPs) synthesized by precipitation polymerization using 1-allyl-3-methylimidazolium bromide as an auxiliary solvent and α-chloro-dichlorodiphenyltrichloroethane (α-chloro-DDT) as the template was applied as a selective sorbent of minimized pipette tip-solid-phase extraction (PT-SPE) for rapid isolation and extraction of dicofol (DCF) from celery samples. The pretreatment procedure of celery samples involved only 2.0 mg of IL–MIPs, 0.8 mL of acetonitrile–water (ACN–H 2 O; 1:1, v/v) (washing solvent), and 1.0 mL of acetone–10% acetic acid (HOAc) (elution solvent). Compared with molecularly imprinted polymers (MIPs), ionic liquid–non-imprinted polymers (IL–NIPs) and conventional sorbents such as C 18 , Si, NH 2 , and Al 2 O 3 –N, IL–MIPs showed higher adsorption and purification capacity to DCF in aqueous solution. Good linearity for DCF was observed in the range from 2.3 to 232.5 ng g −1 ( r 2 = 0.9995). The average recoveries at three spiking levels ranged from 86.6% to 101.9% with relative standard deviations (RSDs) of ≤6.5% ( n = 3). The presented IL–MIPs–PT-SPE–GC/ECD method combines the advantages of MIPs, IL, and PT-SPE, and can be used in aqueous conditions with high affinity and selectivity to analytes of complex samples.
研究领域:
分析化学
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环境科学
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PubMed
高影响因子
ENVIRONMENTAL POLLUTION
·
2026
·
IF 7.2
Xianlang Liu,Han Xiao,Zhipeng Liao,Xuyang Zhang,Weixin Zhang,Qiang Luo,Guiyou Tian
Dicofol (DCF), a widely used organochlorine pesticide, is classified as a persistent organic pollutant (POP). However, its toxicological profile and the underlying mechanisms of action in vertebrates remain poorly understood. In this study, exposure of zebrafish ( Danio rerio ) to sublethal concentrations of DCF led to notable behavioral abnormalities in both larvae and adults, effects that were accompanied by increased apoptosis in brain tissues. Additionally, molecular docking analysis identified the α3-subunit containing Na + /K + -ATPase (ATP1A3A) as a potential target of DCF; this finding was corroborated by significant inhibition of Na + /K + -ATPase activity observed in brain tissue samples upon DCF treatment. Further investigation demonstrated elevated intracerebral calcium levels, enhanced oxidative stress, downregulation of chaperones involved in protein folding, increased protein ubiquitylation, and accumulation of phosphorylated microtubule-associated tau protein in the brains of DCF-treated adults. Transcriptomic profiling corroborated these findings, revealing activation of apoptotic pathways, dysregulation of calcium homeostasis, impairment of ROS clearance, and aberrant expression of genes related to neuronal function. In summary, our findings demonstrate that DCF exposure induces toxicity in zebrafish by disrupting multiple signaling cascades, culminating in neuronal apoptosis and neurotoxicity. These findings underscore the potential ecological risks and human health implications associated with DCF exposure. Environmental implication Exposure to the persistent organic pollutant dicofol (DCF) induces neurotoxicity in zebrafish by disrupting multiple signaling cascades. Such disruption triggers calcium dysregulation, oxidative stress, protein misfolding, phosphorylated tau protein accumulation, and neuronal apoptosis, which are hallmarks of neurodegeneration. Given the evolutionary conservation of these toxicity mechanisms across vertebrates, DCF may pose potential ecological risks to other aquatic species, suggesting that DCF contamination in water sources could represent an unrecognized environmental risk factor for human neurological health. These findings warrant regulatory attention to this legacy pesticide.
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ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
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2025
·
IF 6.1
Wenfeng He,Si Dong,Fasheng Liu,Yunyun Du,Shanshan Zhu,Yulian Li,Yongliang Zheng,Ting Ding,Jinmei Shao,Weifang Gao,Qian Ouyang,Huiling Liu,Xiaoping Wang,Junquan Zeng
Dicofol (DCF), a widely used organochlorine acaricide, has raised global concerns due to its persistence, bioaccumulation, and toxicity. Although banned in many developed countries, DCF is still used in some regions, posing ecological and health risks. Here, we investigated the developmental cardiotoxicity of DCF in zebrafish embryos and its underlying mechanisms. DCF exposure caused ventricular reduction, atrial enlargement, pericardial edema, intracardiac blood congestion, reduced heart rate, and an increased sinus venosus–bulbus arteriosus (SV–BA) distance. These defects were associated with altered expression of cardiac development genes, indicating disrupted transcriptional regulation. Transcriptomic analysis revealed that DCF disrupts mitochondrial oxidative phosphorylation, leading to reduced ATP production and excessive reactive oxygen species (ROS) generation. Impaired antioxidant defenses further destabilized cardiac developmental gene networks and promoted cardiomyocyte injury and apoptosis. Biochemical assays confirmed elevated ROS levels, lipid peroxidation, and reduced antioxidant enzyme activity, while acridine orange staining demonstrated increased cardiomyocyte apoptosis. Notably, co-treatment with astaxanthin (ASTA) effectively mitigated DCF-induced cardiac defects, restored gene expression, and reduced oxidative damage. These findings identify oxidative stress as a key mediator of DCF-induced cardiotoxicity and demonstrate the potential of natural antioxidants in alleviating pesticide toxicity. This study offers mechanistic insights into the developmental hazards of legacy organochlorine pesticides and emphasizes the need for stricter environmental regulation and safer alternatives.
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高影响因子
FOOD CHEMISTRY
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2021
·
IF 7.514
Fengya Wang,Xiaobo Zhang,Changxin Huangfu,Mingzhen Zhu,Chunsheng Li,Liang Feng
Dicofol is an organochlorine pesticide, which is widely used in fruits, tea and other crops, and is moderately toxic to humans. Therefore, the monitoring of organochlorine pesticide-dicofol is critical for food safety. In this work, a fluorometric chemosensor based on mercaptoethanol and boron dipyrromethene (BODIPY) was first constructed to detect the dicofol. The chemosensor displayed turn-off fluorescence behavior upon dicofol with a detection limit of 200 ppb. The nucleophilicity of the glutathione and other biological thiols was studied to evaluate the reactivity of thiols with dicofol. In practical applications, an obvious color difference was observed on a paper based microfluidic device modified by phenyltriethoxysilane (PTES). We designed an integrated device for pretreatment and paper-based detection, and successfully used for the detection of dicofol in tea. The applicability was demonstrated by detection of dicofol in real tea samples with good recovery ranging from 86% to 109%. The apparatus was convenient and could be used for on-site evaluation of dicofol.
研究领域:
分析化学
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环境科学
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食品安全
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PubMed
高影响因子
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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2021
·
IF 4.098
Na Li,Xi Yang,Fengping Chen,Guofang Zeng,Like Zhou,Xiaoke Li,Xun Tuo
Dicofol, a broad-spectrum acaricide, has garnered considerable attention because of the potential harm to the environment and various organisms. Herein, this study applied spectroscopic and in silico methods to understand the interaction between human serum albumin (HSA) and dicofol. Fluorescence experiments demonstrated that dicofol formed a stable complex and the binding process occurred in Suldow’s site I of HSA. Its binding constant was 2.26 × 10 5 M −1 at 298 K. Van der Waals forces and hydrogen bond were primarily facilitated the interaction between dicofol and HSA (ΔH < 0, ΔS < 0) according to thermodynamic experiments. Additionally, 3D fluorescence and circular dichroism (CD) spectra revealed a few conformational changes in HSA due to dicofol. Molecular docking analysis indicated that dicofol interacted with Ser192, Gln196, Leu481, Arg218, Leu238, and Phe211 via van der Waals forces and formed a hydrogen bond with His242. Molecular dynamics (MD) simulation showed that Lys195 and Arg218 residues contributed greater energy for forming the HSA–dicofol complex. MD simulation analysis also showed that dicofol can affect the HSA structure with a reduction in α-helix. This research is desired to facilitate a new perspective on the toxicity mechanism of dicofol in the human body.
研究领域:
药理学
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生物化学
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毒理学
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分子生物学
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PubMed
高影响因子
Emerging Contaminants
·
2026
·Vol. 12
·期 4
·100770
·
IF 8.2
Si Dong,Yunyun Du,Yongliang Zheng,Ting Ding,Zhonghao Xiao,Suwei He,Shanshan Zhu,Yulian Li,Wenfeng He,Xiaoping Wang,Lingci Zeng,Fasheng Liu,Junquan Zeng
Hematotoxicity and immunotoxicity are common adverse effects observed in fish exposed to environmental pollutants; however, the molecular mechanisms underlying these toxicities remain poorly understood. To investigate these mechanisms, zebrafish were exposed to dicofol (DCF) under environmentally relevant conditions. DCF exposure led to increased reactive oxygen species (ROS), malondialdehyde (MDA), superoxide dismutase (SOD), and catalase (CAT), and reduced nitric oxide (NO) content. Further analysis revealed a significant increase in TUNEL-positive cells in hematopoietic regions, accompanied by elevated expression of Bax/Bcl-2 , caspase-3 , and p53 . Antibody staining and Western blot (WB) analysis demonstrated that DCF impaired the nuclear factor erythroid 2-related factor 2 (Nrf2)-mediated antioxidant system. Astaxanthin (AST) treatment alleviated DCF-induced damage to hematopoietic stem cells. These results show that DCF disrupts antioxidant homeostasis, aggravates oxidative stress, and ultimately triggers apoptosis in hematopoietic stem cells, offering new insights into strategies to prevent and control pollutant-induced toxicity.
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FOOD CHEMISTRY
·
2025
·
IF 9.8
Wanlin Deng,Chen Fan,Ming Jin,Ruixue Zhang
High-throughput screening of deep eutectic solvents (DESs) was performed using artificial intelligence/quantum mechanical models. Ni-amorphous metal-organic frameworks (aMOFs) was synthesized through amine-DES aqueous solution. The target-specific DES/amorphous MOF nanocomposite was then modified onto screen-printed electrode, serving as sensing platform for dicofol due to high surface properties and excellent electrochemical activity. aMOFs facilitate rapid charge transfer due to their disordered structure, which overcomes the anisotropy limitations of crystalline MOFs and enhances electron conductivity. DESs are employed to capture target analytes, leveraging their ability to modify substrate binding sites and improve catalytic efficiency through enhanced substrate anchoring. The electrode, which exhibited a good linear relationship in concentration range from 0.05 to 50 μmol/L, with a limit of detection of 0.015 μmol/L. The sensor was successfully applied to dicofol detection in real samples. This study provides new insights into the screening and design of sensing electrode modification materials for harmful substances in food.
研究领域:
分析化学
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材料科学
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电化学
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环境监测
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食品安全
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人工智能
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纳米技术
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PubMed
高影响因子
危险品化学品经营许可证（带存储）