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用于预测锌对淡水生物急性和慢性毒性的多元线性回归模型与生物配体模型的比较

Comparison of Multiple Linear Regression and Biotic Ligand Models for Predicting Acute and Chronic Zinc Toxicity to Freshwater Organisms.

作者信息

DeForest David K, Ryan Adam C, Tear Lucinda M, Brix Kevin V

机构信息

Windward Environmental, Seattle, Washington, USA.

International Zinc Association, Durham, North Carolina, USA.

出版信息

Environ Toxicol Chem. 2023 Feb;42(2):393-413. doi: 10.1002/etc.5529. Epub 2023 Jan 9.

Abstract

Multiple linear regression (MLR) models for predicting zinc (Zn) toxicity to freshwater organisms were developed based on three toxicity-modifying factors: dissolved organic carbon (DOC), hardness, and pH. Species-specific, stepwise MLR models were developed to predict acute Zn toxicity to four invertebrates and two fish, and chronic toxicity to three invertebrates, a fish, and a green alga. Stepwise regression analyses found that hardness had the most consistent influence on Zn toxicity among species, whereas DOC and pH had a variable influence. Pooled acute and chronic MLR models were also developed, and a k-fold cross-validation was used to evaluate the fit and predictive ability of the pooled MLR models. The pooled MLR models and an updated Zn biotic ligand model (BLM) performed similarly based on (1) R , (2) the percentage of effect concentration (ECx) predictions within a factor of 2.0 of observed ECx, and (3) residuals of observed/predicted ECx versus observed ECx, DOC, hardness, and pH. Although fit of the pooled models to species-specific toxicity data differed among species, species-specific differences were consistent between the BLM and MLR models. Consistency in the performance of the two models across species indicates that additional terms, beyond DOC, hardness, and pH, included in the BLM do not help explain the differences among species. The pooled acute and chronic MLR models and BLM both performed better than the US Environmental Protection Agency's existing hardness-based model. We therefore conclude that both MLR models and the BLM provide an improvement over the existing hardness-only models and that either could be used for deriving ambient water quality criteria. Environ Toxicol Chem 2023;42:393-413. © 2022 SETAC.

摘要

基于溶解有机碳(DOC)、硬度和pH值这三个毒性修正因子,开发了用于预测锌(Zn)对淡水生物毒性的多元线性回归(MLR)模型。构建了物种特异性的逐步MLR模型,以预测锌对四种无脊椎动物和两种鱼类的急性毒性,以及对三种无脊椎动物、一种鱼类和一种绿藻的慢性毒性。逐步回归分析发现,硬度对不同物种锌毒性的影响最为一致,而DOC和pH值的影响则各不相同。还开发了汇总的急性和慢性MLR模型,并使用k折交叉验证来评估汇总MLR模型的拟合度和预测能力。基于以下三点,汇总的MLR模型和更新的锌生物配体模型(BLM)表现相似:(1)R ;(2)效应浓度(ECx)预测值在观察到的ECx的2.0倍范围内的百分比;(3)观察到的/预测的ECx与观察到的ECx、DOC、硬度和pH值的残差。尽管汇总模型对物种特异性毒性数据的拟合在不同物种间存在差异,但BLM和MLR模型之间的物种特异性差异是一致的。两种模型在不同物种间表现的一致性表明,BLM中包含的除DOC、硬度和pH值之外的其他项无助于解释物种间的差异。汇总的急性和慢性MLR模型以及BLM的表现均优于美国环境保护局现有的基于硬度的模型。因此,我们得出结论,MLR模型和BLM均比现有的仅基于硬度的模型有所改进,二者均可用于推导环境水质标准。《环境毒理学与化学》2023年;42:393 - 413。© 2022 SETAC。

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