Centre for Ecology and Hydrology, Lancaster Environment Centre, Library Avenue, Bailrigg, Lancaster LA1 4AP, United Kingdom.
Aquat Toxicol. 2013 Oct 15;142-143:114-22. doi: 10.1016/j.aquatox.2013.08.003. Epub 2013 Aug 16.
The WHAM-FTOX model describes the combined toxic effects of protons and metal cations towards aquatic organisms through the toxicity function (FTOX), a linear combination of the products of organism-bound cation and a toxic potency coefficient (αi) for each cation. Organism-bound, metabolically-active, cation is quantified by the proxy variable, amount bound by humic acid (HA), as predicted by the WHAM chemical speciation model. We compared published measured accumulations of metals by living organisms (bacteria, algae, invertebrates) in different solutions, with WHAM predictions of metal binding to humic acid in the same solutions. After adjustment for differences in binding site density, the predictions were in reasonable line with observations (for logarithmic variables, r(2)=0.89, root mean squared deviation=0.44), supporting the use of HA binding as a proxy. Calculated loadings of H(+), Al, Cu, Zn, Cd, Pb and UO2 were used to fit observed toxic effects in 11 published mixture toxicity experiments involving bacteria, macrophytes, invertebrates and fish. Overall, WHAM-FTOX gave slightly better fits than a conventional additive model based on solution concentrations. From the derived values of αi, the toxicity of bound cations can tentatively be ranked in the order: H<Al<(Zn-Cu-Pb-UO2)<Cd. The WHAM-FTOX analysis indicates much narrower ranges of differences amongst individual organisms in metal toxicity tests than was previously thought. The model potentially provides a means to encapsulate knowledge contained within laboratory data, thereby permitting its application to field situations.
WHAM-FTOX 模型通过毒性函数(FTOX)描述了质子和金属阳离子对水生生物的联合毒性效应,这是生物体结合的阳离子与每种阳离子的毒性效力系数(αi)的乘积。生物体结合的、代谢活跃的阳离子通过 WHAM 化学形态模型预测的腐殖酸(HA)结合量来量化。我们将不同溶液中活体生物(细菌、藻类、无脊椎动物)对金属的已发表实测积累与 WHAM 预测的金属与腐殖酸在相同溶液中的结合进行了比较。在调整了结合位点密度的差异后,预测与观察结果相当吻合(对于对数变量,r(2)=0.89,均方根偏差=0.44),支持使用 HA 结合作为替代物。计算出的 H(+)、Al、Cu、Zn、Cd、Pb 和 UO2 的负荷用于拟合 11 项已发表的混合毒性实验中观察到的细菌、大型植物、无脊椎动物和鱼类的毒性效应。总体而言,WHAM-FTOX 的拟合效果略优于基于溶液浓度的常规加性模型。从推导得出的αi 值可以初步推断出结合阳离子的毒性顺序为:H<Al<(Zn-Cu-Pb-UO2)<Cd。WHAM-FTOX 分析表明,金属毒性测试中个体生物之间的差异范围比以前认为的要窄得多。该模型有可能提供一种方法来封装实验室数据中包含的知识,从而可以将其应用于现场情况。