Organophosphorus Pesticides Management Strategies: Prohibition and Restriction Multi-Category Multi-Class Models, Environmental Transformation Risks, and Special Attention List.

IF 4.1 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Toxics Pub Date : 2024-12-26 DOI:10.3390/toxics13010016
Yingwei Wang, Lu Wang, Yufei Li
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Abstract

Organophosphorus pesticides (OPs) have become one of the most widely used pesticides in Chinese agriculture; however, methods to identify potential restrictions on OPs molecules are lacking. Therefore, this study retrieved the OPs restriction list and constructed eight multi-class, multi-category machine learning models for OPs restrictions. Among these, the random forest (RF) model demonstrated excellent predictive performance, as it was successfully validated and applied. Potential environmental transformation products of OPs were obtained using EAWAG-BBD software, while toxicity indicators for the parent OPs and their transformation products were predicted with ADMETlab 3.0 software. This study found that unrestricted OPs, such as phorate, parathion, and chlorpyrifos, exhibited a high probability of toxicity. Additionally, the environmental transformation products of OPs posed similar comprehensive toxicity risks as the parent compounds. A special attention list for OPs was created based on the toxicity risks of unrestricted parent OPs and their transformation products, using standard deviation classification. Phorate and parathion were identified as OPs requiring special attention. This paper aims to provide an effective method for identifying the potential restriction levels of OPs and to propose an evaluation system that comprehensively considers the health risk, thereby supporting the improvement and optimization of management and usage strategies for OPs.

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有机磷农药管理策略:禁制多类多类模式、环境改造风险与特别关注清单。
有机磷农药已成为我国农业中应用最广泛的农药之一;然而,目前还缺乏确定OPs分子潜在限制的方法。因此,本研究检索了OPs约束列表,构建了8个多类、多类别的OPs约束机器学习模型。其中,随机森林(random forest, RF)模型的预测性能优异,并得到了验证和应用。利用EAWAG-BBD软件获得OPs的潜在环境转化产物,利用ADMETlab 3.0软件预测亲本OPs及其转化产物的毒性指标。本研究发现,无限制的有机磷,如磷、对硫磷和毒死蜱,具有很高的毒性可能性。此外,OPs的环境转化产物具有与母体化合物相似的综合毒性风险。根据不受限制的母体OPs及其转化产物的毒性风险,采用标准差分类法,建立了OPs特别关注列表。磷酸盐和对硫磷被确定为需要特别注意的OPs。本文旨在提供一种有效的识别有机磷潜在限制水平的方法,并提出一种综合考虑健康风险的评价体系,从而支持对有机磷的管理和使用策略的改进和优化。
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来源期刊
Toxics
Toxics Chemical Engineering-Chemical Health and Safety
CiteScore
4.50
自引率
10.90%
发文量
681
审稿时长
6 weeks
期刊介绍: Toxics (ISSN 2305-6304) is an international, peer-reviewed, open access journal which provides an advanced forum for studies related to all aspects of toxic chemicals and materials. It publishes reviews, regular research papers, and short communications. Our aim is to encourage scientists to publish their experimental and theoretical results in detail. There is, therefore, no restriction on the maximum length of the papers, although authors should write their papers in a clear and concise way. The full experimental details must be provided so that the results can be reproduced. Electronic files or software regarding the full details of calculations and experimental procedure can be deposited as supplementary material, if it is not possible to publish them along with the text.
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