Physiologically based pharmacokinetic modeling of perfluoroalkyl substances in the human body

Currently, there are limited data on the levels of perfluoroalkyl substances other than perfluorooctane sulfonic acid and perfluorooctanoic acid in the human body. Most of this information has been extracted from biological monitoring of plasma while the occurrence of perfluoroalkyl substances in other human tissues is rarely studied. The objective of the present study was to develop a physiologically based pharmacokinetic model to assess the concentration of perfluoroalkyl substances in human tissues, based on an existing model previously validated for perfluorooctane sulfonic acid and perfluorooctanoic acid. Experimental data on concentrations of perfluoroalkyl substances in human tissues from individuals in Tarragona County (Catalonia, Spain) were used to estimate the values of some distribution and elimination parameters needed for the simulation. No significant correlations were found between these parameters and the chain lengths. The model was finally validated for five perfluoroalkyl substances.     

Machine learning based quantitative consequence prediction models for toxic dispersion casualty

Incidental release of toxic chemicals can pose extreme danger to life in the vicinity. Therefore, it is crucial for emergency responders, plant operators, and safety professionals to have a fast and accurate prediction to evaluate possible toxic dispersion life-threatening consequences. In this work, a toxic chemical dispersion casualty database that contains 450 leak scenarios of 18 toxic chemicals is constructed to develop a machine learning based quantitative property-consequence relationship (QPCR) model to estimate the affected area caused by toxic chemical release within a certain death rate. The results show that the developed QPCR model can predict the toxic dispersion casualty range with root mean square error of maximum distance, minimum distance, and maximum width less than 0.2, 0.4, and 0.3, which indicates that the constructed model has satisfying accuracy in predicting toxic dispersion ranges under different lethal consequences. The model can be further expanded to accommodate more toxic chemicals and leaking scenarios.     

Land-use forecasting and hydrologic model integration for improved land-use decision support

This paper develops a methodology for integrating a land-use forecasting model with an event scale, rainfall-runoff model in support of improving land-use policy formulation at the watershed scale. The models selected for integration are loosely coupled, structured upon a common GIS platform that facilitates data exchange. The hydrologic model HEC-HMS is calibrated for a specific storm event that occurred within central Washington State. The land-use forecasting model, What If? is implemented to forecast future spatial distributions of low-density residential land-uses under low and high population growth estimates. Forecasted land-use distribution patterns for the years 2015, 2025, and 2050 are then used as land-use data input for the calibrated hydrologic model, keeping all other parameters constant. Impacts to the stream discharge hydrograph are predicted as the study area becomes increasingly developed as forecasted by What If?. The initial results of this integration process demonstrate the synergy that can be generated through the linkage of the selected models. The ability to quantifiably forecast the potential hydrologic implications of proposed land-use policies before their implementation offers land-use decision-makers a valuable tool for discerning which proposed land-use alternatives will be effective at minimizing storm water runoff.     

The integrated project AquaTerra of the EU sixth framework lays foundations for better understanding of river-sediment-soil-groundwater systems

The integrated project "AquaTerra" with the full title "integrated modeling of the river-sediment-soil-groundwater system; advanced tools for the management of catchment areas and river basins in the context of global change" is among the first environmental projects within the sixth Framework Program of the European Union. Commencing in June 2004, it brought together a multidisciplinary team of 45 partner organizations from 12 EU countries, Romania, Switzerland, Serbia and Montenegro. AquaTerra is an ambitious project with the primary objective of laying the foundations for a better understanding of the behavior of environmental pollutants and their fluxes in the soil-sediment-water system with respect to climate and land use changes. The project performs research as well as modeling on river-sediment-soil-groundwater systems through quantification of deposition, sorption and turnover rates and the development of numerical models to reveal fluxes and trends in soil and sediment functioning. Scales ranging from the laboratory to river basins are addressed with the potential to provide improved river basin management, enhanced soil and groundwater monitoring as well as the early identification and forecasting of impacts on water quantity and quality. Study areas are the catchments of the Ebro, Meuse, Elbe and Danube Rivers and the Brévilles Spring. Here we outline the general structure of the project and the activities conducted within eleven existing sub-projects of AquaTerra.     

An integrated fuzzy-stochastic modeling approach for risk assessment of groundwater contamination

An integrated fuzzy-stochastic risk assessment (IFSRA) approach was developed in this study to systematically quantify both probabilistic and fuzzy uncertainties associated with site conditions, environmental guidelines, and health impact criteria. The contaminant concentrations in groundwater predicted from a numerical model were associated with probabilistic uncertainties due to the randomness in modeling input parameters, while the consequences of contaminant concentrations violating relevant environmental quality guidelines and health evaluation criteria were linked with fuzzy uncertainties. The contaminant of interest in this study was xylene. The environmental quality guideline was divided into three different strictness categories: "loose", "medium" and "strict". The environmental-guideline-based risk (ER) and health risk (HR) due to xylene ingestion were systematically examined to obtain the general risk levels through a fuzzy rule base. The ER and HR risk levels were divided into five categories of "low", "low-to-medium", "medium", "medium-to-high" and "high", respectively. The general risk levels included six categories ranging from "low" to "very high". The fuzzy membership functions of the related fuzzy events and the fuzzy rule base were established based on a questionnaire survey. Thus the IFSRA integrated fuzzy logic, expert involvement, and stochastic simulation within a general framework. The robustness of the modeling processes was enhanced through the effective reflection of the two types of uncertainties as compared with the conventional risk assessment approaches. The developed IFSRA was applied to a petroleum-contaminated groundwater system in western Canada. Three scenarios with different environmental quality guidelines were analyzed, and reasonable results were obtained. The risk assessment approach developed in this study offers a unique tool for systematically quantifying various uncertainties in contaminated site management, and it also provides more realistic support for remediation-related decisions.     

深圳市工业区VOCs污染特征与臭氧生成敏感性

于2020年9~10月在深圳北部典型工业区开展在线观测以分析该地VOCs污染状况,并使用基于观测的模型(OBM)研究臭氧生成敏感性.观测期间VOCs的总浓度为48.5×10^-9,浓度水平上烷烃>含氧有机物(OVOCs)>卤代烃>芳香烃>烯烃>乙炔>乙腈.臭氧生成潜势(OFP)为320μg/m³,其中芳香烃、OVOCs以及烷烃贡献最大,这3类物种OFP贡献总和超过90%.乙烯与苯呈现“两峰一谷”的日变化特征,主要受到机动车排放的贡献.相对增量反应性(RIR)分析表明,削减人为源VOCs对控制当地臭氧生成最为有效,当中又应优先控制芳香烃;经典动力学曲线(EKMA)分析表明该片区臭氧生成处于过渡区,在开展VOCs区域联防联控的同时,需要在当地进行有力的NOx控制以强化该地区臭氧污染长期管控.     

武汉军运会前后臭氧及其前体物的特征和来源

利用湖北省超级站2019年10~11月的臭氧、NO_x(=NO+NO₂)和102种VOCs物质的小时数据分析了军运会期间臭氧污染变化;基于DSMACC箱型模式模拟不同VOCs和NO_x浓度下臭氧的光化学生成敏感性;采用PMF模型对前体物VOCs进行源解析,并估算不同源类的臭氧生成潜势.结果显示,军运会保障前臭氧日最大8小时浓度(最大MDA8:219.51μg/m³)超过国家二级标准,保障期臭氧MDA8浓度(135.11μg/m³)明显下降,保障后浓度回升(140.98μg/m³).军运会保障前中期臭氧浓度的差异受气象条件影响更明显,而保障后臭氧浓度的上升主要是因为前体物浓度的大幅增加.根据DSMACC模拟的EKMA曲线,武汉市军运会期间臭氧的光化学生成主要受VOCs浓度变化的影响.进一步对VOCs进行源解析,结果显示,保障前VOCs对臭氧生成贡献较大的源类是燃烧源、石油化工和机动车,分别占23.0%、22.8%和22.5%;保障期间VOCs的主要来源是机动车(38.4%)和燃烧源(25.5%);保障后则主要是石油化工(32.6%)和燃料挥发(25.7%).三个阶段对比发现,军运会的保障方案对石油化工源减排效果明显,但对机动车和燃烧源排放的限制效果并不显著.武汉市应该更注重对燃烧、燃料挥发和机动车排放的治理.     

基于随机森林的南京市PM2.5和O3对减排的响应

自2013年《大气污染防治行动计划》实施后,南京市大气污染有所改善,但仍面临着细颗粒物(PM_2.5)和臭氧(O₃)污染问题.为探究污染物浓度对其前体物减排的响应,获得有效的减排策略,常利用大气化学模式进行多组基于排放扰动的敏感性试验,而这需要消耗大量计算时间和计算资源.应用随机森林算法对2015年大气化学传输模式(GEOS-Chem)模拟结果进行机器学习,高效地预测了南京2019年PM_2.5浓度日均值和日最大8 h臭氧(MDA8 O₃)浓度对不同人为源排放控制情景的响应.随机森林结果表明2019年中国人为排放每减少10%,南京ρ(PM_2.5)季节平均值下降2～4μg·m^-3.当2019年中国人为源减排比例高于20%时,南京ρ(PM_2.5)年均值将低于国家二级限值(35μg·m^-3).若仅对中国地区O₃前体物氮氧化物(NO_x)和挥发性有机污染物(VOCs)同比例减排,反而...     

Uncertainty Models for Estimates of Physical Characteristics of River Segments Over Large Areas

Spatially comprehensive estimates of the physical characteristics of river segments over large areas are required in many large‐scale analyses of river systems and for the management of multiple basins. Remote sensing and modeling are often used to estimate river characteristics over large areas, but the uncertainties associated with these estimates and their dependence on the physical characteristics of the segments and their catchments are seldom quantified. Using test data with varying degrees of independence, we derived analytical models of the uncertainty associated with estimates of upstream catchment area (CA), segment slope, and mean annual discharge for all river segments of a digital representation of the hydrographic network of France. Although there were strong relationships between our test data and estimates at the scale of France, there were also large relative local uncertainties, which varied with the physical characteristics of the segments and their catchments. Discharge and CA were relatively uncertain where discharge was low and catchments were small. Discharge uncertainty also increased in catchments with large rainfall events and low minimum temperature. The uncertainty of segment slope was strongly related to segment length. Our uncertainty models were consistent across large regions of France, suggesting some degree of generality. Their analytical formulation should facilitate their use in large‐scale ecological studies and simulation models.     

Assessing the Risk of Ships Striking Large Whales in Marine Spatial Planning

Marine spatial planning provides a comprehensive framework for managing multiple uses of the marine environment and has the potential to minimize environmental impacts and reduce conflicts among users. Spatially explicit assessments of the risks to key marine species from human activities are a requirement of marine spatial planning. We assessed the risk of ships striking humpback (Megaptera novaeangliae), blue (Balaenoptera musculus), and fin (Balaenoptera physalus) whales in alternative shipping routes derived from patterns of shipping traffic off Southern California (U.S.A.). Specifically, we developed whale‐habitat models and assumed ship‐strike risk for the alternative shipping routes was proportional to the number of whales predicted by the models to occur within each route. This definition of risk assumes all ships travel within a single route. We also calculated risk assuming ships travel via multiple routes. We estimated the potential for conflict between shipping and other uses (military training and fishing) due to overlap with the routes. We also estimated the overlap between shipping routes and protected areas. The route with the lowest risk for humpback whales had the highest risk for fin whales and vice versa. Risk to both species may be ameliorated by creating a new route south of the northern Channel Islands and spreading traffic between this new route and the existing route in the Santa Barbara Channel. Creating a longer route may reduce the overlap between shipping and other uses by concentrating shipping traffic. Blue whales are distributed more evenly across our study area than humpback and fin whales; thus, risk could not be ameliorated by concentrating shipping traffic in any of the routes we considered. Reducing ship‐strike risk for blue whales may be necessary because our estimate of the potential number of strikes suggests that they are likely to exceed allowable levels of anthropogenic impacts established under U.S. laws. Evaluación del Riesgo de Colisiones de Barcos y Ballenas en la Planificación Marina Espacial