Department of Chemistry, University of Jyvaskyla, P.O. Box 35, FI-40014, Jyväskylä, Finland.
Environ Sci Pollut Res Int. 2019 Jan;26(1):328-341. doi: 10.1007/s11356-018-3485-x. Epub 2018 Nov 5.
An updated version of FATEMOD, a multimedia fugacity model for environmental fate of organic chemicals, was set up to assess environmental behaviour of three pharmaceuticals in northern Lake Päijänne, Finland. Concentrations of ibuprofen, diclofenac, and carbamazepine were estimated at various depths at two sites: near a wastewater treatment plant and 3.5 km downstream the plant. When compared with environmental sampling data from corresponding depths and sites, the predicted concentrations, ranging from nanograms to hundreds of nanograms per litre, were found to be in good agreement. Weather data were utilised with the model to rationalise the effects of various environmental parameters on the sampling results, and, e.g. the roles of various properties of lake dynamics and photodegradation were identified. The new model also enables simultaneous assessment of transformation products. Environmentally formed transformation product concentrations were estimated to be at highest an order of magnitude lower than those of the parent compounds, and unlikely to reach a detectable level. However, a possibility that conjugates of ibuprofen are present at higher levels than the parent compound was identified. Simulation results suggest that environmental degradation half-lives of the inspected contaminants under stratified lake conditions are in the range of some weeks to months.
对用于评估有机化学品环境归宿的多媒体分配模型 FATEMOD 进行了更新，用以评估芬兰北派延讷湖三种药品的环境行为。在废水处理厂附近和处理厂下游 3.5 公里处的两个地点的不同深度估算了布洛芬、双氯芬酸和卡马西平的浓度。与相应深度和地点的环境采样数据相比，预测浓度范围从纳克/升至数百纳克/升，结果发现两者吻合较好。模型利用天气数据来合理化各种环境参数对采样结果的影响，例如，确定了湖泊动力学和光降解等各种特性的作用。新模型还可以同时评估转化产物。环境形成的转化产物浓度估计比母体化合物低一个数量级，不太可能达到可检测水平。但是，发现布洛芬的轭合物可能以高于母体化合物的水平存在。模拟结果表明，在所检查的污染物在分层湖条件下的环境降解半衰期在数周到数月的范围内。
