含氟取代苯类化合物lgK_(ow)和-lg1/EC_(50)的QSPR研究

采用Gaussian 98程序,在B3LYP/6-311G**和HF/6-311G**2种水平上全优化计算了24个含氟取代苯化合物的分子结构,基于得到的分子结构描述符,分别建立了用于预测含氟取代苯化合物正辛醇/水分配系数(lgKow)和毒性(-lg1/EC5)0的模型,预测lgKow的模型包含3个变量(偶极矩(μ),总能量(TE)和热能修正值(Et)h),预测-lgl/EC50的模型包含2个变量(分子中原子最负的电荷(q-)和零点振动能(ZPE))。用交叉验证法对模型的稳定性进行了验证(q分别为0.8480和0.9154),并用t-检验和变异膨胀因子(VIF)对2个模型中各变量的显著性和自相关性进行了检验。预测-lg1/EC50的模型的预测能力优于溶剂化能参数得出的模型。     

广州市工业结构与环境污染物的灰色关联分析

文章根据2003年-2007年广州市各种工业结构企业工业总产值以及工业三废排放量等数据,运用灰色关联分析方法研究了广州市工业生产规模结构、轻重工业结构、行业结构与环境污染物之间的关联程度。结果表明：①广州市三种生产规模的企业中与工业三废关联最大的是小型企业,其次是中型企业,大型企业最小;②相对重工业,广州市轻工业与工业三废的关联较大;③广州工业主导行业与工业三废的关联度排序：纺织业〉石化工业〉电子产品制造业〉食品工业〉机械制造工业〉冶金工业〉电力燃气及水的生产供应业。     

基于DFT的二英脂-水分配系数QSPR研究

基于密度泛函理论,利用多氯二苯并对二(噁)英(PCDDs)和多氯二苯并呋喃(PCDFs)几何构型全优化而得的量子化学和延伸计算参数:前线轨道能、熵、无迹四极矩、分子绝对硬度、电负性和亲电指数等,对两类化合物在(虹鳉)脂-水间的平衡分配性质进行了定量化模型研究,并由多元线性回归分析(MLR)建立了二次函数型的定量结构-性质相关关系(QSPR):lgKbw=5.343-0.001(S-125.480)2-0.355(ω-3.239)2 0.006(Qzz-2.950)2-22.728(η-2.365)2.结果表明,模型具有较高的拟合优度与稳健性,其决定系数和交叉验证相关系数分别为0.943和0.908,且模型的内外部预测性能理想,总体质量明显优于SOFA(solubility parameter for fate analysis)计算结果,可用于未知脂-水分配性质的预测; PCDD/Fs脂-水平衡分配(系数)主要与分子体积以及由电荷分布决定的芳烃分子间相互作用有关,也受潜在的生物转化和分子反应性的影响.     

重组酵母法测评Fenton反应中激素活性变化关系

环境内分泌干扰物的污染已成为环境领域广泛关注的研究领域.文章利用重组基因酵母菌检系统评测雌二醇(E2)在非均相Fenton光催化高级氧化降解过程中的激素活性变化.色谱质谱解析中间产物的结构,很好地解释了该非均相Fenton催化氧化过程不仅可以降低E2浓度,而且可以降低母体和中间产物的雌激素活性,对水体的安全处理具有重要...     

Control of membrane fouling during hyperhaline municipal wastewater treatment using a pilot-scale anoxic/aerobic-membrane bioreactor system

Membrane fouling limits the effects of long-term stable operation of membrane bioreactor (MBR). Control of membrane fouling can extend the membrane life and reduce water treatment cost effectively. A pilot scale anoxic/aerobic-membrane bioreactor (A/O-MBR, 40 L/hr) was used to treat the hyperhaline municipal sewage from a processing zone of Tianjin, China. Impact factors including mixed liquid sludge suspension (MLSS), sludge viscosity (μup), microorganisms, extracellular polymeric substances (EPS), aeration intensity and suction/suspended time on membrane fouling and pollution control were studied. The relationships among various factors associated with membrane fouling were analyzed. Results showed that there was a positive correlation among MLSS, sludge viscosity and trans-membrane pressure (TMP). Considering water treatment efficiency and stable operation of the membrane module, MLSS of 5 g/L was suggested for the process. There was a same trend among EPS, sludge viscosity and TMP. Numbers and species of microorganisms affected membrane fouling. Either too high or too low aeration intensity was not conducive to membrane fouling control. Aeration intensity of 1.0 m³/hr (gas/water ratio of 25:1) is suggested for the process. A long suction time caused a rapid increase in membrane resistance. However, long suspended time cannot prevent the increase of membrane resistance effectively even though a suspended time was necessary for scale off particles from the membrane surface. The suction/suspended time of 12 min/3 min was selected for the process. The interaction of various environmental factors and operation conditions must be considered synthetically.     

The importance of heterozygosity in a frog’s life

High genetic variability may increase metabolic efficiency and thus allows responding to environmental challenges as limits to adaptation are approached. Therefore, it has been suggested that high genetic variability contributes strongly to the fitness of an individual. Survival to high age may thus depend on high genetic variability, and genetically variable individuals may have a higher survival rate to high ages in comparison to less variable sympatric conspecifics. Such a heterozygosity × age relationship might be more readily detectable in stressful as compared to benign environments. For testing the relationship between age and heterozygosity, we genetically analyzed 71 individuals of the frog species Rana perezi from a total of seven populations at 13 allozyme loci. The age of the individuals was determined by skeletochronology. We found effects on age of both environment and allozyme heterozygosity, especially in populations with high stress regimes. A significant heterozygosity × age relationship has so far rarely been shown in natural populations. The result of our analysis suggests that more heterozygous individuals have a higher longevity and may be an important source of genetic variability of a population, likely contributing to a stabilization of the effective population size.     

鄱阳湖发展演变及江湖关系变化影响

鄱阳湖为长江流域最大的通江湖泊,江湖关系独特.现代鄱阳湖的形成及其演变是多种因素长期综合作用与发展的结果,且经历了几个不同的阶段.各种影响因素在鄱阳湖演变的不同阶段所发挥的作用也不尽相同.自然因素的影响过程较为缓慢,而人为因素的作用则较为明显,也更为直接.随着湖区人类社会经济的发展,人类对鄱阳湖的依存大大凸显其生态系统的重要性、脆弱性和敏感性.这必将对湖泊的演化,尤其是对冲积平原浅水湖泊的演变发挥决定性作用.特别是近年来面临着江湖关系、河湖关系和人湖关系的改变所带来的重大影响,未来鄱阳湖的发展和演变存在诸多变数和不确定性,面临着许多挑战.科学认识和预测江湖关系变化趋势及其对鄱阳湖的影响,并提出应对鄱阳湖演变与发展对策,对保障鄱阳湖生态安全尤为重要和迫切.     

应用Abraham方程研究有机污染物对七种水生生物的毒性

通过研究141种对7种水生生物(发光菌、江水细菌、绿藻、大型溞、鲤鱼、黑头呆鱼,古比鱼)的毒性,建立了非极性麻醉型和极性麻醉型有机物的毒性与辛醇/水分配系数的对数lg Kow的相关性,并对该相关性进行了理论解释.同时,建立了Abraham参数与7种水生生物毒性的预测模型,根据Abraham参数和预测模型的系数,对有机污染物与生物毒性作用机理进行了理论分析.在此基础上,对Abraham毒性模型回归系数进行主成分分析,发现有机污染物对7种水生生物的毒性机理具有一定种间相似性和种间差异性,通过有机污染物对7种水生生物种间相关性研究发现,近缘物种种间具有良好的相关性,说明这些物种具有较相似的毒性作用机理,而非近缘物种种间相关性较差,说明这些物种种间毒性机理存在一定差异.     

Leadership in sustainability planning: propagating visions through empathic communication

Despite their lack of decision-making power, planners frequently prevail in advancing strong sustainability agendas. A review of leadership and planning literature suggests that they employ collaborative practice. Using an ethnographic methodology that draws from the stories and actions of six planners with sustainability mandates, supplemented with a survey of their staff and colleagues, this research examines how they do it. Findings suggest that despite variety in their organisational contexts, the planners relied on strong visions and on forging and maintaining relationships to set and implement sustainability mandates. The planners deployed participative and collaborative values selectively in support of their mandates.     

春季盘溪河水质日变化规律及水质评价

2010年春季对盘溪河水质进行了采样监测,分析了春季盘溪河水质的日变化规律,运用非参数检验、方差分析和灰色关联度方法评价了盘溪河1 d内的水质变化情况.结果表明,盘溪河的t、DO、COD、Pb、Cd、Zn和Cu在上、中、下游都没有显著性差异(P>0.05),pH、EC、TP、TSS、BOD5、NO3--N、TN和NH4+-N表现出显著性差异;盘溪河各水质参数日变化情况差别较大,TN、TP和EC的日变化趋势在上游呈波浪式逐渐增加,中游波动较小,下游呈"单峰单谷"型,峰值出现在中午12:00.COD变化曲线呈"单峰"型,上游和中游峰值都出现在10:00,下游的峰值在12:00;盘溪河Pb、Cd、Zn和Cu的浓度较低,中游Pb、Cd、Zn和Cu浓度的峰值出现在12:00;运用灰色关联度方法评价了盘溪河水质级别:上游在18:00和20:00为劣Ⅴ类,其余各时间段河流水质为Ⅱ类;中游在12:00时水质为劣Ⅴ类,其余各时间段河流水质为Ⅱ类;下游各时间段水质均为劣Ⅴ类.