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Quantifying the Contributions of Factors to Bioaccessible Cd and Pb in Soil Using Machine Learning

Lingchen Mao, Kai Kang, Hui Kong, Ensheng Zhu, Zheng Zhang,Ying Li,Hong Tao

JOURNAL OF HAZARDOUS MATERIALS(2025)

Univ Shanghai Sci & Technol | East China Univ Sci & Technol

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Abstract
The bioaccessibility of cadmium (Cd) and lead (Pb) in the gastrointestinal tract is crucial for health risk assessments of contaminated soils. However, variability in In vitro analytical conditions and soil properties introduces bias and uncertainty in predictions. This study employed three in vitro methods to measure Cd and Pb bioaccessibility during the gastric and gastrointestinal phases, using soil samples incubated for one year. Twelve machine learning models were tested, with Random Forest chosen for its superior performance, achieving R2 values between 0.74 and 0.82 in the test set. Key experimental conditions, including Cl- concentration and extraction pH, were identified among the top five factors influencing bioaccessibility. Despite identical incubation conditions, bioaccessible Cd and Pb varied significantly, sometimes by several orders of magnitude, across soil types. Soil properties such as fine particle percentage (<1 mu m) and pH were crucial, while MnO2 content had a greater effect on Pb due to its geochemical behavior. Incorporating aging time into the model improved predictions, explaining 3.6-7.5 % of the variation, with the potential for a greater influence over longer contact times. This study emphasizes the importance of experimental conditions and soil-specific factors in accurately predicting heavy metal bioaccessibility in contaminated soils.
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In vitro simulation,Soil properties,Aging time,Machine Learning,Random Forest
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要点】:本研究使用机器学习技术量化了实验条件和土壤特性对土壤中镉(Cd)和铅(Pb)生物可利用性的影响,提高了预测准确性。

方法】:采用随机森林模型,基于三种体外实验方法测量胃和小肠阶段的Cd和Pb生物可利用性,并分析关键影响因素。

实验】:对经过一年孵化处理的土壤样本进行实验,使用三种体外方法(未具体命名)测量生物可利用性,数据集名称未提及,但通过模型预测得出R²值在0.74到0.82之间,并识别出Cl⁻浓度和提取pH等关键实验条件。