Computational Nanotoxicology Models for Environmental Risk Assessment of Engineered Nanomaterials

Although engineered nanomaterials (ENMs) have tremendous potential to generate technological benefits in numerous sectors, uncertainty on the risks of ENMs for human health and the environment may impede the advancement of novel materials. Traditionally, the risks of ENMs can be evaluated by experim...

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Main Authors: Weihao Tang, Xuejiao Zhang, Huixiao Hong, Jingwen Chen, Qing Zhao, Fengchang Wu
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Nanomaterials
Subjects:
Online Access:https://www.mdpi.com/2079-4991/14/2/155
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author Weihao Tang
Xuejiao Zhang
Huixiao Hong
Jingwen Chen
Qing Zhao
Fengchang Wu
author_facet Weihao Tang
Xuejiao Zhang
Huixiao Hong
Jingwen Chen
Qing Zhao
Fengchang Wu
author_sort Weihao Tang
collection DOAJ
description Although engineered nanomaterials (ENMs) have tremendous potential to generate technological benefits in numerous sectors, uncertainty on the risks of ENMs for human health and the environment may impede the advancement of novel materials. Traditionally, the risks of ENMs can be evaluated by experimental methods such as environmental field monitoring and animal-based toxicity testing. However, it is time-consuming, expensive, and impractical to evaluate the risk of the increasingly large number of ENMs with the experimental methods. On the contrary, with the advancement of artificial intelligence and machine learning, in silico methods have recently received more attention in the risk assessment of ENMs. This review discusses the key progress of computational nanotoxicology models for assessing the risks of ENMs, including material flow analysis models, multimedia environmental models, physiologically based toxicokinetics models, quantitative nanostructure–activity relationships, and meta-analysis. Several challenges are identified and a perspective is provided regarding how the challenges can be addressed.
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spelling doaj.art-b2a196bf1ad942ee8dbf258ae0976c082024-01-26T17:58:17ZengMDPI AGNanomaterials2079-49912024-01-0114215510.3390/nano14020155Computational Nanotoxicology Models for Environmental Risk Assessment of Engineered NanomaterialsWeihao Tang0Xuejiao Zhang1Huixiao Hong2Jingwen Chen3Qing Zhao4Fengchang Wu5National-Regional Joint Engineering Research Center for Soil Pollution Control and Remediation in South China, Guangdong Key Laboratory of Integrated Agro-Environmental Pollution Control and Management, Institute of Eco-Environmental and Soil Sciences, Guangdong Academy of Sciences, Guangzhou 510650, ChinaNational-Regional Joint Engineering Research Center for Soil Pollution Control and Remediation in South China, Guangdong Key Laboratory of Integrated Agro-Environmental Pollution Control and Management, Institute of Eco-Environmental and Soil Sciences, Guangdong Academy of Sciences, Guangzhou 510650, ChinaNational Center for Toxicological Research, U.S. Food and Drug Administration, 3900 NCTR Rd., Jefferson, AR 72079, USAKey Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), Dalian Key Laboratory on Chemicals Risk Control and Pollution Prevention Technology, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, ChinaNational-Regional Joint Engineering Research Center for Soil Pollution Control and Remediation in South China, Guangdong Key Laboratory of Integrated Agro-Environmental Pollution Control and Management, Institute of Eco-Environmental and Soil Sciences, Guangdong Academy of Sciences, Guangzhou 510650, ChinaState Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, ChinaAlthough engineered nanomaterials (ENMs) have tremendous potential to generate technological benefits in numerous sectors, uncertainty on the risks of ENMs for human health and the environment may impede the advancement of novel materials. Traditionally, the risks of ENMs can be evaluated by experimental methods such as environmental field monitoring and animal-based toxicity testing. However, it is time-consuming, expensive, and impractical to evaluate the risk of the increasingly large number of ENMs with the experimental methods. On the contrary, with the advancement of artificial intelligence and machine learning, in silico methods have recently received more attention in the risk assessment of ENMs. This review discusses the key progress of computational nanotoxicology models for assessing the risks of ENMs, including material flow analysis models, multimedia environmental models, physiologically based toxicokinetics models, quantitative nanostructure–activity relationships, and meta-analysis. Several challenges are identified and a perspective is provided regarding how the challenges can be addressed.https://www.mdpi.com/2079-4991/14/2/155engineered nanomaterialscomputational nanotoxicologyexposure modelshazard models
spellingShingle Weihao Tang
Xuejiao Zhang
Huixiao Hong
Jingwen Chen
Qing Zhao
Fengchang Wu
Computational Nanotoxicology Models for Environmental Risk Assessment of Engineered Nanomaterials
Nanomaterials
engineered nanomaterials
computational nanotoxicology
exposure models
hazard models
title Computational Nanotoxicology Models for Environmental Risk Assessment of Engineered Nanomaterials
title_full Computational Nanotoxicology Models for Environmental Risk Assessment of Engineered Nanomaterials
title_fullStr Computational Nanotoxicology Models for Environmental Risk Assessment of Engineered Nanomaterials
title_full_unstemmed Computational Nanotoxicology Models for Environmental Risk Assessment of Engineered Nanomaterials
title_short Computational Nanotoxicology Models for Environmental Risk Assessment of Engineered Nanomaterials
title_sort computational nanotoxicology models for environmental risk assessment of engineered nanomaterials
topic engineered nanomaterials
computational nanotoxicology
exposure models
hazard models
url https://www.mdpi.com/2079-4991/14/2/155
work_keys_str_mv AT weihaotang computationalnanotoxicologymodelsforenvironmentalriskassessmentofengineerednanomaterials
AT xuejiaozhang computationalnanotoxicologymodelsforenvironmentalriskassessmentofengineerednanomaterials
AT huixiaohong computationalnanotoxicologymodelsforenvironmentalriskassessmentofengineerednanomaterials
AT jingwenchen computationalnanotoxicologymodelsforenvironmentalriskassessmentofengineerednanomaterials
AT qingzhao computationalnanotoxicologymodelsforenvironmentalriskassessmentofengineerednanomaterials
AT fengchangwu computationalnanotoxicologymodelsforenvironmentalriskassessmentofengineerednanomaterials