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利用机器学习方法预测纳米银颗粒对土壤酶活性的影响:类型、大小、剂量和暴露时间。

Predicting the effect of silver nanoparticles on soil enzyme activity using the machine learning method: type, size, dose and exposure time.

机构信息

Fujian Key Laboratory of Pollution Control and Resource Reuse, College of Environmental and Resource Sciences, Fujian Normal University, Fuzhou 350117, Fujian Province, China.

Fujian Key Laboratory of Pollution Control and Resource Reuse, College of Environmental and Resource Sciences, Fujian Normal University, Fuzhou 350117, Fujian Province, China.

出版信息

J Hazard Mater. 2023 Sep 5;457:131789. doi: 10.1016/j.jhazmat.2023.131789. Epub 2023 Jun 7.

Abstract

In this study, machine learning models predicted the impact of silver nanoparticles (AgNPs) on soil enzymes. Artificial neural network (ANN) optimized with genetic algorithm (GA) (MAE = 0.1174) was more suitable for simulating overall trends, while the gradient boosting machine (GBM) and random forest (RF) were ideal for small-scale analysis. According to partial dependency profile (PDP) analysis, polyvinylpyrrolidone coated AgNPs (PVP-AgNPs) had the most inhibitory effect (average of 49.5%) on soil enzyme activity among the three types of AgNPs at the same dose (0.02-50 mg/kg). The ANN model predicted that enzyme activity first declined and then rose when AgNPs increased in size. Based on predictions from the ANN and RF models, when exposed to uncoated AgNPs, soil enzyme activities continued to decrease before 30 d, but gradually rose from 30 to 90 d, and fell slightly after 90 d. The ANN model indicated the importance order of four factors: dose > type > size > exposure time. The RF model suggested the enzyme was more sensitive when experiments were conducted at doses, sizes, and exposure times of 0.01-1 mg/kg, 50-100 nm, and 30-90 d, respectively. This study presents new insights on the regularity of soil enzyme responses to AgNPs.

摘要

在这项研究中,机器学习模型预测了纳米银颗粒(AgNPs)对土壤酶的影响。经过遗传算法(GA)优化的人工神经网络(ANN)(平均绝对误差(MAE)= 0.1174)更适合模拟整体趋势,而梯度提升机(GBM)和随机森林(RF)则更适合小规模分析。根据偏依赖分布(PDP)分析,在相同剂量(0.02-50 mg/kg)下,三种 AgNPs 中,聚乙烯吡咯烷酮(PVP)包覆的 AgNPs(PVP-AgNPs)对土壤酶活性的抑制作用最强(平均为 49.5%)。ANN 模型预测,随着 AgNPs 粒径的增加,土壤酶活性先下降后上升。基于 ANN 和 RF 模型的预测,当暴露于未包覆的 AgNPs 时,土壤酶活性在 30 天前持续下降,但在 30-90 天内逐渐上升,90 天后略有下降。ANN 模型表明了四个因素的重要性顺序:剂量>类型>大小>暴露时间。RF 模型表明,当实验剂量、粒径和暴露时间分别为 0.01-1 mg/kg、50-100nm 和 30-90 天时,酶更敏感。本研究为土壤酶对 AgNPs 响应的规律提供了新的见解。

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