大气中痕量挥发性有机物的结构表征和保留时间的估计与预测

采用分子电性距离矢量（MEDV）表征大气中痕量挥发性有机物的分子结构,同时采用逐步回归结合统计检测对模型进行变量筛选,建立了大气中痕量挥发性有机物定量结构-色谱保留（QSRR）关系的8个变量和5个变量模型,两种QSRR模型的建模计算值复相关系数（R）分别为0.937和0.931;留一法（leave-one-out）交互校验复相关系数（RCV）分别为0.901和0.906,表明模型具有良好的估计能力与稳定性.     

铁路沿线可燃重气储罐最小隔离区域划分探讨*

为保护铁路线,以某化工厂距离高铁路线最近的丙烯球罐为例,提出丙烯球罐泄漏最小隔离区域划分方法以及2种保护高铁线路方案,利用重气扩散模型和定量风险评价（QRA）软件分别进行丙烯扩散模拟、爆炸模拟,并进行危险与可操作性分析（HAZOP）和保护层分析（LOPA）。结果表明:球罐发生泄漏及火灾爆炸等事故,会给附近铁路线带来严重破坏;丙烯泄漏或球罐因周围其他设备设施或可燃物质着火而温度升高时,保护措施不足;隧道的安全可靠性要高于仅设1道防爆墙,隧道长度需覆盖最小隔离区域的可及范围,在扩散区域内也需设立普通挡墙,在极度危险情况下,需要实施高铁停开等保护措施。     

Development of machine learning based prediction models for hazardous properties of chemical mixtures

Lower flammability limit (LFL), upper flammability limit (UFL), auto-ignition temperature (AIT) and flash point (FP) are crucial hazardous properties for fire and explosion hazards assessment and consequence analysis. In this study, a comprehensive prediction model set was constructed by using expanded chemical mixture databases of chemical mixture hazardous properties. Machine learning based gradient boosting quantitative structure-property relationship (GB-QSPR) method is implemented for the first time to improve the model performance and prediction accuracy. The result shows that all developed models have significantly higher accuracy than other regular QSPR models, with the 5-fold cross-validation RMSE of LFL, UFL, AIT, and FP models being 1.06, 1.14, 1.08, and 1.17, respectively. All developed QSPR models can be used to estimate reliable chemical mixture hazardous properties and provide useful guidance in chemical mixture hazard assessment and consequence analysis.     

基于模糊推理的FRAM事故定量分析方法研究

为有效克服FRAM事故分析中无法进行定量分析的缺陷,提出结合模糊推理技术的Fuzzy FRAM模型。此改进模型基于FRAM识别系统运行状态;依据功能输出要素的时间/精度属性利用Matlab构建2阶模糊推理系统量化功能输出质量;根据通用性能条件(CPC)及功能输入耦合端口构建功能评价体系,针对评价体系中存在的不确定性信息融合及建模问题,采用模糊证据推理技术,通过模糊信度结构建立、数据处理、信息融合测度后获得功能的风险指数;以既有铁路危险品运输事故为例,验证方法的可行性。结果表明:Fuzzy FRAM模型的评估结果较为精确,是FRAM分析方法的有效补充。     

Diversity of antibiotic resistance genes and encoding ribosomal protection proteins gene in livestock waste polluted environment

The rapid development and increase of antibiotic resistance are global phenomena resulting from the extensive use of antibiotics in human clinics and animal feeding operations. Antibiotics can promote the occurrence of antibiotic resistance genes (ARGs), which can be transferred horizontally to humans and animals through water and the food chain. In this study, the presence and abundance of ARGs in livestock waste was monitored by quantitative PCR. A diverse set of bacteria and tetracycline resistance genes encoding ribosomal protection proteins (RPPs) from three livestock farms and a river were analyzed through denaturing gradient gel electrophoresis (DGGE). The abundance of sul(I) was 10³ to 10⁵ orders of magnitude higher than that of sul(II). Among 11 tet-ARGs, the most abundant was tet(O). The results regarding bacterial diversity indicated that the presence of antibiotics might have an evident impact on bacterial diversity at every site, particularly at the investigated swine producer. The effect of livestock waste on the bacterial diversity of soil was stronger than that of water. Furthermore, a sequencing analysis showed that tet(M) exhibited two genotypes, while the other RPPs-encoding genes exhibited at least three genotypes. This study showed that various ARGs and RPPs-encoding genes are particularly widespread among livestock.     

偶氮类染料脱色率的定量构效关系

偶氮类染料的生产和使用过程中存在着三废多、难脱色和污染严重等问题,该染料是印染工业的主要污染物。选取偶氮类染料的分子结构参数和其光催化氧化脱色率之间建立定量结构活性关系(QSAR),进而得到回归方程,为印染废水处理和染料环境行为评价提供理论预测。结果表明,偶氮类染料的光催化氧化脱色率与其结构之间存在着线性相关性,线性方程为:D=0.647μ+66.277,(D为脱色率、μ为偶极矩)R=0.989方程具有预测能力。     

基于"脱钩"模式的低碳城市评价

由于历史及现状等诸多因素,以二氧化碳减排绝对量为基础的低碳城市评价模式并不适用于中国;本研究从经济发展、物质消耗与污染物排放相互关系的视角,以"脱钩"模式为目标层,经济发展、碳排放、污染物排放与经济发展为准则层,CO2排放等8个具体指标为指标层建立低碳城市评价指标体系,定量描述经济发展过程中单位GDP污染物排放降低的态势,进而表征城市发展过程中的经济、资源、环境变化的历史趋势并反映城市低碳建设现状.针对沈阳市的案例研究表明,沈阳市2001年至2008年总体的生态效率与资源利用效率呈现逐渐提高的态势,沈阳市现阶段的低碳城市建设水平处于"相对脱钩"阶段,与目前中国经济宏观发展态势相符合.本研究表明,"脱钩"评价模式可以避免基于污染物总量的评价模式中忽略经济发展因素而产生的片面性,可以表征中国当前经济高速发展前提下的城市低碳建设水平,为目前的"低碳城市"评价方法提供有益尝试.     

Soil nitrogen transformations under elevated atmospheric CO₂ and O₃ during the soybean growing season

We investigated the influence of elevated CO₂ and O₃ on soil N cycling within the soybean growing season and across soil environments (i.e., rhizosphere and bulk soil) at the Soybean Free Air Concentration Enrichment (SoyFACE) experiment in Illinois, USA. Elevated O₃ decreased soil mineral N likely through a reduction in plant material input and increased denitrification, which was evidenced by the greater abundance of the denitrifier gene nosZ. Elevated CO₂ did not alter the parameters evaluated and both elevated CO₂ and O₃ showed no interactive effects on nitrifier and denitrifier abundance, nor on total and mineral N concentrations. These results indicate that elevated CO₂ may have limited effects on N transformations in soybean agroecosystems. However, elevated O₃ can lead to a decrease in soil N availability in both bulk and rhizosphere soils, and this likely also affects ecosystem productivity by reducing the mineralization rates of plant-derived residues.     

pH、盐度对微生物还原硫酸盐的影响研究

采用厌氧生物处理工艺,研究了在不同盐度下pH连续降低对硫酸盐还原和有机物去除率的影响。实验结果表明,硫酸盐还原菌有很强的适应pH变化的能力,在pH值达到4以下仍有60％的硫酸盐去除率。NaCl浓度由4g／L增加到50g／L抑制了各厌氧菌的活性,导致硫酸盐和有机物去除率的下降,但硫酸盐还原菌耐受性高于产甲烷菌等其他厌氧菌,在NaCl浓度为50g／L下,硫酸盐去除率能达到50％,而有机物去除率则低于30％。qRT—PCR表明了系统菌落中SRB随着环境的变化情况与化学指标结果相一致,该反应器体系中SRB在整个厌氧菌群落中只占了很小部分。     

Flow‐Biology Relationships Based on Fish Habitat Guilds in North Carolina

The health of freshwater biota is dependent on streamflow, yet identification of the flow regimes required to maintain ecological integrity remains challenging to states in the United States seeking to establish ecological flows. We tested the relationship between decreases in streamflow and Shannon‐Weaver diversity index of fish species for four flow‐based habitat guilds: riffle, riffle‐run, pool‐run, and pool in North Carolina. We found species that prefer shallow habitats, such as riffles and riffle‐runs were the most sensitive to decreases in streamflow; whereas no significant relationships were found for pool or pool‐run species. The sensitivity to decreases in streamflow was greatest during summer and fall, when streams are naturally lower. When all fish habitat guilds were included in the assessment of flow‐biology relationships, there were no significant relationships to decreases in streamflow. As the sensitivity of fish to reductions in streamflow is not constant across habitat guilds, combining all fish species together for flow‐biology analyses may greatly underestimate the response of fish species to decreases in flow and should be acknowledged when establishing ecological flows.