Predicting Bioaccumulation of Nanomaterials:Modeling Approaches with Challenges

作     者：Hang Zeng Zhuoyan Lv Xiaoyan Sun Yang Tong Wei Wu Shipeng Dong Liang Mao 

作者机构：State Key Laboratory of Pollution Control and Resource ReuseSchool of the EnvironmentChemistry and Biomedicine Innovation CenterNanjing UniversityNanjing 210023China Nanjing Qixia District HospitalNanjing 210023China High Tech Research and Development CenterMinistry of Science and TechnologyBeijing 100044China 

出 版 物：《Environment & Health》 (环境与健康（英文）)

年 卷 期：2024年第2卷第4期

页      面：189-201页

学科分类：07[理学] 070205[理学-凝聚态物理] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

基　　金：supported by the National Natural Science Foundation of China(22206087,22125602,U2067215,22076078,and 21906080) the National Key R&D Program of China(2022YFC3701402) the Fundamental Research Funds for the Central Universities(021114380168) 

主　　题：Modeling Forecast Bioaccumulation Nanomaterials Machine learning 

摘      要：Understanding the bioaccumulation of nanomaterials(NMs)by organisms is essential in evaluating their potential ***,the experimental determination of bioaccumulation is substantially challenging,which spawned the development of prediction approaches via establishing models for various *** modeling approaches,such as the biotic ligand model(BLM),partition coefficients,accumulation factor models,and quantitative structure−activity relationship(QSAR)models,were initially used in the application of NMs,aiming to provide a reliable quantitative dose in a resource-saving *** methods,which are based on the uptake patterns of substances,probably lead to deviated results due to the different uptake behaviors of *** this study,currently developed models to evaluate the bioaccumulation of NMs are critically reviewed,with their feasibilities and limitations being *** addition,the recently developed machine learning amended models have taken great efforts in realizing biological behaviors of NMs in organisms by providing in silico *** this data-driven approach has limitations in mechanism exploration,it may give different insights into the bioaccumulation model establishment and critical feature identification.