计算毒理学在内分泌干扰物筛选上的应用和展望

内分泌干扰物通过干扰内分泌系统导致多种疾病,如生殖疾病、肥胖症甚至癌症。然而,面对环境中大量潜在的内分泌干扰物,传统的体外、体内评估方法由于成本高、耗时长等问题,难以实现内分泌干扰物的高通量筛查。计算毒理学逐渐发展成为被美国环保局(Environmental Protection Agency,EPA)、经济合作与发展组织(Organization for Economic Co-operation and Development,OECD)等机构所推荐的内分泌干扰物筛选与预测方法。本文综述了计算毒理学在内分泌干扰物筛选上的进展,主要包括分子对接和分子动力学模拟的应用,并对有害结局路径(adverse outcome pathway,AOP)的方法进行介绍和展望。     

Understanding local community attitudes toward industrial development in the Great Barrier Reef region World Heritage Area: are environmental impacts perceived to overshadow economic benefits?

Conflicts between industrial development and environmental conservation can be particularly acute when such development occurs in the vicinity of World Heritage sites. A key example is the Great Barrier Reef World Heritage Area (GBRWHA) in northeastern Australia, where a 2012 review by the World Heritage Council found that rapid port development inshore of the coral reef posed significant risks to local marine ecosystems. Such instances pose pressing challenges for decision‐makers seeking to manage World Heritage sites for multiple values and needs, including those of key stakeholder groups, such as local communities. There is increasingly a societal expectation that public decision‐making takes into account local views and priorities, and that companies seek a ‘social license to operate’. This research explored local community attitudes toward port development associated with the export of liquefied natural gas (LNG) and coal through the GBRWHA. Using data drawn from a survey and interviews, the research examined how a range of geographical factors, including proximity to gas infrastructure and the perceived impacts and risks of development to the local community, economy and environment shape community perceptions of the industry. Findings suggest that local attitudes toward gas and coal terminal development inshore of the GBRWHA are shaped predominantly by community perceptions of environmental impacts and risks associated with such infrastructure, in contrast to a broader public narrative that focuses largely on economic benefits. A complex combination of other factors, including social impacts, personal environmental values, community trust in industry, and equity in decision‐making and distribution of the risks and benefits of industrial development also contribute. Placed in a broader, global context, the findings have important implications for public decision‐making processes in Australia and elsewhere as they suggest that, for local communities, the perceived impacts of gas development on the environment may overshadow the benefits of industry.     

The channels of the effect of government expenditure on the environment: evidence using dynamic panel data

This paper explores the relationship between government spending and environmental quality using panel data for 94 countries for the period 1970–2008. We identify and estimate three distinct channels that comprise the total direct effect of government expenditure on air pollution, namely a marginal effect, an effect conditional on economic growth and an effect conditional on institutional quality. Since adjustment rate of emissions to their equilibrium level is slow due to technological and institutional reasons, we explicitly take into account dynamics by applying appropriate econometric methods. The results demonstrate that there is a significant alleviating direct effect of government expenditure on SO₂ and NO_x emissions, which increases with the level of economic growth and democracy. However, there is no evidence of a significant effect on pollutants with more global impact on the environment and human health, like N₂O and CO₂, implying that the adoption of international environmental treaties is required in this case.     

Investigating the key indicators for evaluating post‐disaster shelter

This study sought to identify the primary indicators for evaluating shelter assistance following natural disasters and then to develop a shelter evaluation instrument based on these indicators. Electronic databases and the ‘grey’ literature were scoured for publications with a relation to post‐disaster shelter assistance. Indicators for evaluating such assistance were extracted from these publications. In total, 1,525 indicators were extracted from 181 publications. A preliminary evaluation instrument was designed from these 1,525 indicators. Shelter experts checked the instrument for face and content validity, and it was revised subsequently based on their input. The revised instrument comprises a version for use by shelter agencies (48 questions that assess 23 indicators) and a version for use by beneficiaries (52 questions that assess 22 indicators). The instrument can serve as a standardised tool to enable groups to gauge whether or not the shelter assistance that they supply meets the needs of disaster‐affected populations.     

Why social values cannot be changed for the sake of conservation

The hope for creating widespread change in social values has endured among conservation professionals since early calls by Aldo Leopold for a “land ethic.” However, there has been little serious attention in conservation to the fields of investigation that address values, how they are formed, and how they change. We introduce a social–ecological systems conceptual approach in which values are seen not only as motivational goals people hold but also as ideas that are deeply embedded in society's material culture, collective behaviors, traditions, and institutions. Values define and bind groups, organizations, and societies; serve an adaptive role; and are typically stable across generations. When abrupt value changes occur, they are in response to substantial alterations in the social–ecological context. Such changes build on prior value structures and do not result in complete replacement. Given this understanding of values, we conclude that deliberate efforts to orchestrate value shifts for conservation are unlikely to be effective. Instead, there is an urgent need for research on values with a multilevel and dynamic view that can inform innovative conservation strategies for working within existing value structures. New directions facilitated by a systems approach will enhance understanding of the role values play in shaping conservation challenges and improve management of the human component of conservation.     

Performance of IUCN proxies for generation length

One of the criteria used by the International Union for Conservation of Nature (IUCN) to assess threat status is the rate of decline in abundance over 3 generations or 10 years, whichever is longer. The traditional method for calculating generation length (T) uses age‐specific survival and fecundity, but these data are rarely available. Consequently, proxies that require less information are often used, which introduces potential biases. The IUCN recommends 2 proxies based on adult mortality rate, = α + 1/d, and reproductive life span, = α + z^*RL, where α is age at first reproduction, d is adult mortality rate, RL is reproductive life span, and z is a coefficient derived from data for comparable species. We used published life tables for 78 animal and plant populations to evaluate precision and bias of these proxies by comparing and with true generation length. Mean error rates in estimating T were 31% for and 20% for , but error rates for were 16% when we subtracted 1 year ( ), as suggested by theory; also provided largely unbiased estimates regardless of the true generation length. Performance of depends on compilation of detailed data for comparable species, but our results suggest taxonomy is not a reliable indicator of comparability. All 3 proxies depend heavily on a reliable estimate of age at first reproduction, as we illustrated with 2 test species. The relatively large mean errors for all proxies emphasized the importance of collecting the detailed life‐history information necessary to calculate true generation length. Unfortunately, publication of such data is less common than it was decades ago. We identified generic patterns of age‐specific change in vital rates that can be used to predict expected patterns of bias from applying .     

How to Constrain Multi‐Objective Calibrations of the SWAT Model Using Water Balance Components

Accurate discharge simulation is one of the most common objectives of hydrological modeling studies. However, a good simulation of discharge is not necessarily the result of a realistic simulation of hydrological processes within the catchment. We propose an evaluation framework that considers both discharge and water balance components as evaluation criteria for calibration of the Soil and Water Assessment Tool (SWAT). In this study, we integrated average annual values of surface runoff, groundwater flow, and evapotranspiration in the model evaluation procedure to constrain the selection of good model runs for the Little River Experimental Watershed in Georgia, United States. For evaluating water balance and discharge dynamics, the Nash‐Sutcliffe efficiency (NSE) and percent bias (PBIAS) were used. In addition, the ratio of root mean square error and standard deviation of measured data (RSR) was calculated for individual segments of the flow duration curve to identify the best model runs in terms of discharge magnitude. Our results indicate that good statistics for discharge do not guarantee realistic simulations of individual water balance components. Therefore, we recommend constraining the ranges of water balance components to achieve a more realistic simulation of the entire hydrological system, even if tradeoffs between good statistics for discharge simulations and reasonable amounts of the water balance components are unavoidable. Editor's note : This paper is part of the featured series on SWAT Applications for Emerging Hydrologic and Water Quality Challenges. See the February 2017 issue for the introduction and background to the series.     

A Comprehensive Python Toolkit for Accessing High‐Throughput Computing to Support Large Hydrologic Modeling Tasks

The National Flood Interoperability Experiment (NFIE) was an undertaking that initiated a transformation in national hydrologic forecasting by providing streamflow forecasts at high spatial resolution over the whole country. This type of large‐scale, high‐resolution hydrologic modeling requires flexible and scalable tools to handle the resulting computational loads. While high‐throughput computing (HTC) and cloud computing provide an ideal resource for large‐scale modeling because they are cost‐effective and highly scalable, nevertheless, using these tools requires specialized training that is not always common for hydrologists and engineers. In an effort to facilitate the use of HTC resources the National Science Foundation (NSF) funded project, CI‐WATER, has developed a set of Python tools that can automate the tasks of provisioning and configuring an HTC environment in the cloud, and creating and submitting jobs to that environment. These tools are packaged into two Python libraries: CondorPy and TethysCluster. Together these libraries provide a comprehensive toolkit for accessing HTC to support hydrologic modeling. Two use cases are described to demonstrate the use of the toolkit, including a web app that was used to support the NFIE national‐scale modeling.     

Does the Temporal Resolution of Precipitation Input Influence the Simulated Hydrological Components Employing the SWAT Model?

This study aimed to evaluate the influence of sub‐daily precipitation time steps on model performance and hydrological components by applying the Green and Ampt infiltration method using the Soil and Water Assessment Tool (SWAT). Precipitation was measured at a resolution of 0.1 mm and aggregated to 5‐, 15‐, 30‐, and 60‐min time steps. Daily discharge data over a 10‐year period were used to calibrate and validate the model. Following a global sensitivity analysis, relevant parameters were optimized through an automatic calibration procedure using SWAT‐CUP for each time step. Daily performance statistics were almost equal among all four time steps (NSE ≈ 0.47). Discharge mainly consisted of groundwater flow (55%) and tile flow (42%), in reasonable proportions for the investigated catchment. In conclusion, model outputs were almost identical, showing simulations responded nearly independently of the chosen precipitation time step. This held true for (1) the selection of sensitive parameters, (2) performance statistics, (3) the shape of the hydrographs, and (4) flow components. However, a scenario analysis revealed that the precipitation time step becomes important when saturated hydraulic conductivities are low and curve numbers are high. The study suggests that there is no need in using precipitation time steps <1 h for lowland catchments dominated by soils with a low surface runoff potential if daily flow values are being considered. Editor's note : This paper is part of the featured series on SWAT Applications for Emerging Hydrologic and Water Quality Challenges. See the February 2017 issue for the introduction and background to the series.