QSAR计算中的分子连接性指数法

本文介绍了分子连接性指数法和原理及各阶指数的计算方法，以及在ＱＳＡＲ计算中的应用实例，并对特殊连接性指数的用法作了分析。     

温榆河水环境质量与浮游植物群落结构的时空变化及其相互关系

温榆河是北京市重要的生态廊道.本研究基于历史文献资料和现场调查,比较分析了2006、2011和2018年温榆河水环境质量与浮游植物群落结构的时空变化,探讨了浮游植物群落变化与水温T、溶解氧DO、pH和营养盐之间的相互关系.结果表明,温榆河水环境质量总体好转,经历了重度污染→污染遏制→水质改善过程,水污染物已从NH_4~+-N为主转向TN为主.NH_4~+-N、TN的平均浓度和平均超标倍数从2011年的15. 52～19. 16 mg·L~(-1)、9. 34～8. 58倍和20. 21～19. 58 mg·L~(-1)、12. 47～8. 79倍降低到2018年的1. 93～2. 66 mg·L~(-1)、0. 29～0. 33倍和5. 66～6. 79 mg·L~(-1)、2. 77～2. 39倍,并且温榆河和支流清河的DO和NH_4~+-N浓度已基本达到水功能区划目标.与水质改善过程相对应,浮游植物群落的物种种类大幅增加,经历了绿藻门(Chlorophyta)→蓝藻门(Cyanophyta)→硅藻门(Bacillariophyta)物种为主的变化过程,Shannon-Wiener多样性指数(H')、均匀度Pielou指数(J)有所改善,但依然存在高耐污绝对优势物种小环藻(Cyclotella)和直链藻(Melosira)等,且2018年温榆河依旧处于中富营养化状态.统计分析结果表明,DO、pH、NH_4~+-N、TN和TP是影响温榆河流域浮游植物多样性和蓝藻、硅藻及其他藻类密度的主要因素.     

A new method of predicting of gas chromatographic retention indices for polychlorinated dibenzofurans (PCDFs)

A new method has been developed to describe the quantitative relationship between molecular structures of PCDFs and their gas chromatographic retention indices on a 30-m fused silica column coated with DB-5 stationary phase. The regression equation is derived with a multiple correlation coefficient greater than 0.9995. The highest residual is 20 index units. The standard deviation is less than 7 index units. Using this regression equation, the retention indices of PCDFs for which data is not available have also been predicted.     

包头市生态监测指标体系研究初探

随着全球生态问题的不断涌现，生态保护的呼声日益高涨，要想顺应这一形势的要求，实现切实有效的生态保护，首先必须对生态破坏状况要有一个准确的把握，而生态监测是全面掌握生态状况的有效手段和唯一 途径。目前国内的生态监测工作缺乏统一的标准，国家尚未制定技术规范。本研究针对包头市的特点，以景观生态学理论为依据，将包头市划分为五大景观生态系统，根据其各自特点，突出主要生态问题，制定了相应的生态监测指标体系，从而为生态监测工作的开展打下了坚实的基础。     

酚类化合物的QSAR研究

直接应用化合物的分子结构式产生的结构描述参量研究了４５个酚类化合物的麻醉毒性和分子结构之间的相关性。用多元回归分析和神经网络法建立了相应的数学模型，并用其预测了５个酚类化合物的麻醉毒性。结果表明，所提取的结构参量较好地反映这类化合物的结构特性，而用神经网络法所得结果优于多元回归分析结果。     

Comparing urban air quality in Europe in real time a review of existing air quality indices and the proposal of a common alternative

The EU directives on air quality force member states to inform the public on the status of the ambient air quality. The Internet is commonly used for this purpose and often air quality is being presented as an index ranging from good to bad. A review of existing websites and air quality indices shows that the way air quality is interpreted differs considerably. The paper presents a new air quality index. The index is part of a project to develop a website dedicated to comparing air quality in European cities. The common air quality index (CAQI) is not aimed at replacing existing local indices. The CAQI is a set of two indices: one for roadside monitoring sites and one for average city background conditions. Differentiating between roadside and general city conditions is a first step in assuring consistence in the parameters that are being compared.     

生物多样性研究进展

生物多样性是自然资源中的一个重要组成部分。在最近的40年内,生物多样性的研究发展很迅速,有关多样性的测定方法已形成了数十个数学模型和多样性指数。生物多样性的功能也研究得比较多,生物多样性的保护技术也已逐渐系统化,并开始了持续利用和合理开发的研究。     

Analysis of the effects of zinc pollution on the macro-invertebrate populations of the Afon Crafnant,North Wales

The study of the input draining from mine-waste into the Afon Crafnant, N. Wales, revealed that the most significant pollutant was zinc. The concentrations of zinc were monitored during 1978 and 1979, and spot samples were concentrated and analysed for lead, copper, cadmium, iron, cobalt, manganese and nickel. Analysis was by flame atomic absorption specto-scopy. The total zinc concentration of the input was about 4 mg Zn/l which was diluted by the Afon Crafnant to give mean annual concentrations of 213 g Zn/l and 146 g Zn/l for 1978 and 1979 respectively at a site 60 metres downstream of the input. The numbers of individuals and number of taxa in the macro-invertebrate community were reduced at these concentrations. The taxa affected werePhagocata vitta,Erpobdella octoculata, Oligochaeta,Ithytrichia lamellaris, Simuliidae,Ancylus fluviatilis andRithrogena semicolorata. Several commonly used diversity indices failed to show differences between the macro- invertebrate communities at the affected and control sites whereas a modified version of Chandler's Biotic Score (detailed in this paper) revealed both the acute effects at higher concentrations and the chronic effects at lower concentrations.     

基于概率神经网络的污泥堆肥腐熟度的综合判别

由于污泥堆肥过程中各组分间相互影响和制约,污泥腐熟程度的判别系统呈现模糊性,使得传统评价方法对该判别系统很难正确认识。文章根据污泥堆肥的具体情况,提出了以含水率、挥发固体、粪大肠菌值、发芽指数作为腐熟程度的判别指标体系,并基于概率神经网络建立污泥堆肥腐熟程度的综合判别模型,然后用该模型判别上海市某污水厂污泥快速好氧堆肥工艺污泥堆肥样品的腐熟程度。结果表明:①将污泥堆肥的含水率、有机质、粪大肠菌值和种子发芽指数作为判别指标,可以判别污泥堆肥腐熟程度;②概率神经网络可以建立判别指标与稳定化程度等级之间复杂的非线性关系,为腐熟度的判别提供一种通用的模式,且判别结果比较合理。     

Assessment of the Sustainability of Bushmeat Hunting Based on Dynamic Bioeconomic Models

Abstract:  Open-access hunting is a dynamic system in which individual hunters respond to changes in system variables such as costs of hunting and prices obtained for their catch. Sustainability indices used by conservationists ignore these human processes and focus only on the biological sustainability of current offtake levels. This focus implicitly assumes that offtake is constant, says little about the actual sustainability of the system, and fails to provide any basis for predicting the impact of most feasible management interventions. A bioeconomic approach overcomes these limitations by explicitly integrating both the biological and human components of the system. We present a graphical representation of a simple bioeconomic model of bushmeat hunting and use it to demonstrate the importance of considering system dynamics when assessing sustainability. Our results show that commonly used static sustainability indices are often misleading. The best method to assess hunting sustainability is situation dependent, but characterizing supply and demand curves, even crudely, has greater potential than current approaches to provide robust predictions in the medium term.