Prioritizing phthalate esters (PAEs) using experimental in vitro/vivo toxicity assays and computational in silico approaches
文献类型：期刊论文
| 作者 | Hamid, Naima1,2; Junaid, Muhammad4; Manzoor, Rakia2,5; Jia, Pan-Pan1,2; Pei, De-Sheng1,2,3
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| 刊名 | JOURNAL OF HAZARDOUS MATERIALS
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| 出版日期 | 2020-11-05 |
| 卷号 | 398页码:12 |
| 关键词 | Mixture toxicity Phthalates HPG axis Estrogen receptor Zebrafish |
| ISSN号 | 0304-3894 |
| DOI | 10.1016/j.jhazmat.2020.122851 |
| 通讯作者 | Pei, De-Sheng(peids@cigit.ac.cn) |
| 英文摘要 | Phthalate esters (PAEs) pose prominent ecological risks owing to their multiplex toxicity potentials and ubiquitous detection in the environment. Therefore, this study aims to prioritize the individual and mixtures of six PAEs based on their toxicological implications using in vitro and vivo models exposed at environmentally relevant concentrations. Results were further confirmed using in silico Combination index (CI) and Independent action (IA), and molecular docking models. Among PAEs, DEHP revealed prominent in vitro/vivo toxicity followed by DEP, DBP, and DMP. Importantly, binary mixtures particularly C2-C6 and C11-C15 exhibited greater developmental toxicity, apoptosis, and perturbed the HPG pathway. The CI and IA models forecasted antagonistic and additive effects at Fa = 0.5 and Fa = 0.9 using in vitro Acinetobacter sp. Tox2. Conversely, in zebrafish, the IA model predicted mixture effects in the following order: additive > synergistic > antagonistic on the regulation of the HPG pathway, which was consistent with experimental results from Acridine Orange (AO) staining and apoptosis gene expression. Molecular docking for estrogen receptors (ER alpha, ER beta) revealed the highest bindingenergy scores for DEHP, compared to other PAEs. In short, our findings confirm that individual and mixtures of PAEs behave as xenoestrogens in the freshwater ecosystem with DEHP as a priority compound. |
| 资助项目 | Chongqing Key Program of Basic Research and Advanced Exploration Project[cstc2019jcyj-zdxmX0035] ; Three Hundred Leading Talents in Scientific and Technological Innovation Program of Chongqing[CSTCCXLJRC201714] ; CAS-TWAS Scholarship[2017A8018537001] |
| WOS研究方向 | Engineering ; Environmental Sciences & Ecology |
| 语种 | 英语 |
| WOS记录号 | WOS:000568851200004 |
| 出版者 | ELSEVIER |
| 源URL | [http://119.78.100.138/handle/2HOD01W0/11808]  |
| 专题 | 中国科学院重庆绿色智能技术研究院 |
| 通讯作者 | Pei, De-Sheng |
| 作者单位 | 1.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Key Lab Reservoir Aquat Environm, Chongqing 400714, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Henan Normal Univ, Coll Life Sci, Xinxiang 453007, Henan, Peoples R China 4.Peking Univ, Sch Environm & Energy, Key Lab Heavy Met Pollut Control & Reutilizat, Shenzhen Grad Sch, Shenzhen 518055, Peoples R China 5.Chinese Acad Sci, Inst Genet & Dev Biol, State Key Lab Mol Dev Biol, Beijing 100101, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hamid, Naima,Junaid, Muhammad,Manzoor, Rakia,et al. Prioritizing phthalate esters (PAEs) using experimental in vitro/vivo toxicity assays and computational in silico approaches[J]. JOURNAL OF HAZARDOUS MATERIALS,2020,398:12. |
| APA | Hamid, Naima,Junaid, Muhammad,Manzoor, Rakia,Jia, Pan-Pan,&Pei, De-Sheng.(2020).Prioritizing phthalate esters (PAEs) using experimental in vitro/vivo toxicity assays and computational in silico approaches.JOURNAL OF HAZARDOUS MATERIALS,398,12. |
| MLA | Hamid, Naima,et al."Prioritizing phthalate esters (PAEs) using experimental in vitro/vivo toxicity assays and computational in silico approaches".JOURNAL OF HAZARDOUS MATERIALS 398(2020):12. |
入库方式： OAI收割
来源：重庆绿色智能技术研究院
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