Combined molecular mechanics, molecular dynamics and quantum mechanical study of (+)-multifidene structure and conformation

Molecular mechanics, molecular dynamics and quantum mechanical tools have been used to explore the conformational space of (+)(3S,4S)-multifidene bioactive compounds. All the computations have been performed in the absence and presence of the solvent, simulated by the explicit introduction of a number of water molecules or by the polarized continuum model (PCM). Three conformational minima, both in vacuo and in water (simulated by PCM tool), have been confirmed at ab initio level of theory (B3LYP and MP2). All minima lie in a very narrow range of energy, and the interconversion between them is possible with a small amount of energy expense.     

基于UAHP的采空区稳定性模糊综合评判

为准确评判矿山采空区稳定性等级,通过分析采空区稳定性各影响因素,确定地质、水文、采空区几何参数、环境等4个2级指标为影响其稳定性的主要因素。运用层次分析法(AHP)并结合模糊数学理论,建立采空区稳定性2级模糊综合评判模型。用区间数表示评判结果,分析处理评判矩阵得到专家评判的相似度和差异度,进而获取专家评判的可信度,建立基于不确定型层次分析法(UAHP)的采空区稳定性模糊评判方法。实例计算结果表明:在Ⅰ级评判指标中,地质构造、周围开采影响、地下水活动程度、跨度对采空区稳定性影响较大;用该采空区的稳定性等级为Ⅱ级。用该方法能得出各影响因素的综合权重,准确评判采空区稳定性等级。     

Association of extinction risk of saproxylic beetles with ecological degradation of forests in Europe

To reduce future loss of biodiversity and to allocate conservation funds effectively, the major drivers behind large‐scale extinction processes must be identified. A promising approach is to link the red‐list status of species and specific traits that connect species of functionally important taxa or guilds to resources they rely on. Such traits can be used to detect the influence of anthropogenic ecosystem changes and conservation efforts on species, which allows for practical recommendations for conservation. We modeled the German Red List categories as an ordinal index of extinction risk of 1025 saproxylic beetles with a proportional‐odds linear mixed‐effects model for ordered categorical responses. In this model, we estimated fixed effects for intrinsic traits characterizing species biology, required resources, and distribution with phylogenetically correlated random intercepts. The model also allowed predictions of extinction risk for species with no red‐list category. Our model revealed a higher extinction risk for lowland and large species as well as for species that rely on wood of large diameter, broad‐leaved trees, or open canopy. These results mirror well the ecological degradation of European forests over the last centuries caused by modern forestry, that is the conversion of natural broad‐leaved forests to dense conifer‐dominated forests and the loss of old growth and dead wood. Therefore, conservation activities aimed at saproxylic beetles in all types of forests in Central and Western Europe should focus on lowlands, and habitat management of forest stands should aim at increasing the amount of dead wood of large diameter, dead wood of broad‐leaved trees, and dead wood in sunny areas.     

湖泊水环境保护功能区划分

在浓度场基础上，利用总磷、总氮和ＣＯＤ三项指标的综合指数法，结合管理部门提供的资料，划分了滇不不环境保护功能区，给出了划分指标值及功能区划分图。     

The apportionment of quadratic entropy: a useful alternative for partitioning diversity in ecological data

Many methods that study the diversity within hierarchically structured populations have been developed in genetics. Among them, the analysis of molecular variance (AMOVA) (Excoffier et al., 1992) has the advantage of including evolutionary distances between individuals. AMOVA is a special case of a far more general statistical scheme produced by Rao (1982a; 1986) and called the apportionment of quadratic entropy (APQE). It links diversity and dissimilarity and allows the decomposition of diversity according to a given hierarchy. We apply this framework to ecological data showing that APQE may be very useful for studying diversity at various spatial scales. Moreover, the quadratic entropy has a critical advantage over usual diversity indices because it takes into account differences between species. Finally, the differences that can be incorporated in APQE may be either taxonomic or functional (biological traits), which may be of critical interest for ecologists.     

辽宁中部城市群环境保护治理规则

辽宁中部城市群是由以沈阳为中心，包括沈阳，鞍山、抚顺、本溪、辽阳、铁岭六个市。本文分三部分，辽宁中部城市不境质量现状基本概况，辽宁中部城市九环境保护治理，辽宁中部城市群环境保护政策措施。     

Significance of platinum group metals emitted from automobile exhaust gas converters for the biosphere

Intention, Goal, Scope, Background  Following the introduction of automobile catalytic converters the platinum group metals (PGM) platinum (Pt), palladium (Pd) and rhodium (Rh) gain on increasing interest in environmental research as these metals are emitted with exhaust fumes into the environment. Consequently, elevated PGM levels were found in different environmental matrices uch as road dusts, soils along heavily frequented roads, sediments of urban rivers etc. Accordingly, the effects of increasing PGM emissions on the biosphere are controversially discussed. Objective  This paper summarizes the present knowledge on the biological availability of PGM to plants and animals. As biological availability is one of the most decisive factors determining the toxicologi-cal potential of xenobiotics, this information is very important to evaluate the possible threat of the noble metals to ecosystems. Results and Discussion  The availability of soluble as well as particle bound PGM to terrestrial plants was demonstrated in several studies. Experimental investigations revealed uptake of Pt, Pd and Rh also by aquatic plants. Additionally, the biological availability of the noble metals for animals has been verified in experimental studies using soluble metal salts, catalytic converter model substances, sediments of urban rivers, road dust or tunnel dust as metal sources. These studies refer mainly to aquatic animals. Beside of free living organisms, in particular worms parasitizing fish demonstrated a high potential to accumulate PGM. This could be of great interest in respect of biomonitoring purposes. Generally, for plants as well as for animals Pd turns out to be the best available metal among the PGM. Compared to other heavy metals, the biological availability of PGM from road dust to zebra mussels(Dreissena polymorpha) ranged between that of Cd and Pb. Conclusion  Especially chronic effects of PGM on the biosphere can not be excluded due to (1) their cumulative increase in the environment, (2) their unexpected high biological availability and bioaccumulation and (3) their unknown toxicological and ecotoxicological potential. However, it appears that acute effects on ecosystems due to anthropogenic PGM emission are not likely. Recommendation and Outlook  Research on environmental PGM contamination of the biosphere, especially the fauna, and on long-term toxiciry of low PGM concentrations is highly appreciated. These studies require very sensitive analytical techniques to determine PGM even in low sample amounts. Research has to be done in particular on reliable determination of (ultra) trace levels of Pd and Rh as the lack of data on these two metals is mainly due to analytical problems.     

济南市水域鱼类功能群结构及其季节性变化

鱼类对于维护河流生态系统的稳定具有重要作用,季节性变化在一定程度上影响鱼类的群落结构.为了解济南市水域鱼类的功能群结构及其季节性差异,于2014年春季（5月）、夏季（8月）和秋季（11月）选取济南市水域的40个采样点对鱼类群落和水环境理化因子,通过单因素方差分析、多响应置换过程以及典范对应分析等方法,分析鱼类功能群在不同季节的差异性.结果表明:①春季共鉴定出鱼类5目7科26种,夏季为5目9科32种,秋季为5目7科20种.将鱼类按栖息水层、产卵类型、对环境的耐受性以及营养结构4个方面分为4种功能类群共11亚类.春季主要以植食性、底层与敏感种功能群为主,夏季主要以肉食性、中下层、耐污种、特殊产卵与粘性卵功能群为主,秋季主要以杂食性、浮性卵、中上层、耐污种功能群为主.②典范对应结果显示,影响粘性卵功能群、肉食性功能群、底层功能群以及敏感种功能群分布的驱动因子是ρ（DO）,电导率则是影响植食性功能群的驱动因子.研究显示,鱼类功能群的季节性变化受到内源性和外源性的共同影响,即鱼类自身生活习性和水环境因子季节性变化的共同影响.      

基于GIS格网化分析支撑的旅游空间规划技术方法研究——以青岛市为例

空间规划是支撑旅游地发展规划的核心章节,目前主要依靠规划者经验判断,主观性较强,缺乏客观方面的信息数据支持。论文将GIS格网化与旅游资源评价模型相结合,提出了旅游资源单体采集、旅游资源格网化及其空间分析方法,并融合旅游资源群评价模型、旅游功能区识别模型、旅游线路和空间发展轴线识别模型予以支撑,形成了标准化的旅游资源采集、评价到空间识别的集成技术方法;并以青岛市为例,识别出了旅游资源集群及其发展潜力、旅游功能区和空间拓展轴线,确立了“一心、一带、三轴、五区”的空间发展格局。论文初步探讨了GIS格网化空间分析方法在区域旅游规划中的应用,能够补充传统定性评价方法客观性不足的缺陷,实现复杂旅游资源数据的单体评价、旅游资源集群评价、旅游功能区识别、旅游线路和空间发展轴线优选的系列化分析技术路线,可为延伸旅游规划深度、提高规划精度提供科学参考。     

改进的DEMATEL法在航空公司外委维修安全风险分析中的应用

为有效识别和分析外委维修安全风险因素间复杂的影响关系,提出了群决策DEMATEL分析方法。该方法以语言变量和三角模糊数之间的转换为基础,通过群决策理论集结专家信息建立直接影响矩阵;利用DEMATEL分析法对外委维修的安全风险因素进行辨识,实现定性定量相结合的分析。以某航空公司为例,采用该方法分析了14个对外委维修安全影响显著的风险因素。结果表明,在外委维修过程中,航空公司和承修商应重点监控7个原因型因素和中心度排序靠前的6个因素。