循环经济与清洁生产

论述了实施清洁生产、发展循环经济与可持续发展之间的关系及共同点，提出了在生产过程中以预防为主、将废物最少化、资源化、无害化的观点。     

大同市大气颗粒物中苯并(a)芘污染与气象条件的相关性初探

文章通过大同市云冈宾馆2002年1月和8月的大气颗粒物中苯并(a)芘的浓度及同期的气象观测资料,对温度、风速、湿度等气象要素对大气颗粒物中苯并(a)芘的影响进行了研究,初步分析了它们的相关关系,此工作对城市大气颗粒物中的苯并(a)芘污染的控制和预测具有重要意义.     

关于引导性环境政策

当前，我国经济、社会和环境形势发生了重要变化，以管制性环境政策为主的环境政策体系已发生转变，引导性环境政策正在并将发挥越来越重要的作用。对引导性环境政策进行了初步探讨，并对强化引导性环境政策提出建议。     

Kinetics of OH-initiated oxidation of oxygenated organic compounds in the aqueous phase: new rate constants, structure–activity relationships and atmospheric implications

The kinetics of OH oxidation of several organic compounds of atmospheric relevance were measured in the aqueous phase. Relative kinetics were performed using various organic references and OH sources. After validation of the protocol, temperature-dependent rate constants for the reactions of OH radical with ethyl ter-butyl ether (, E_a/R=580 (±560) K), n-butyl acetate ( (±0.4)×10⁹ M⁻¹ s⁻¹, E_a/R=1000 (±200) K), acetone ( (±0.05)×10⁹ M⁻¹ s⁻¹, E_a/R=1400 (±500) K), methyl ethyl ketone (, E_a/R=1200 (±200) K), methyl iso-butyl ketone (, E_a/R=1200 (±300) K) and methylglyoxal (, E_a/R=1100 (±300) K) were determined. A non-Arrhenius behavior was found for phenol, in good agreement with the contribution of an OH addition to the mechanism, which also includes H-abstraction by OH radicals. Global rate constants of acetaldehyde, propionaldehyde, butyraldehyde and valeraldehyde were studied at 298 K only, as these compounds partly hydrate in the aqueous phase. All the obtained data (except those of phenol) complemented by literature data were used to investigate three methods to estimate rate constants for H-abstraction reactions of OH radicals in aqueous solutions when measured data were not available: Evans-Polanyi-type correlations, comparisons with gas-phase data, structure activity relationships (SAR). The results show that the SAR method is promising; however, the data set is currently too small to extend this method to temperatures other than 298 K. The atmospheric impact of aqueous phase OH oxidation of water-soluble organic compounds is discussed with the determination of their global atmospheric lifetimes, taking into account both gas- and aqueous-phase reactivities. The results show that atmospheric droplets can act as powerful photoreactors to eliminate soluble organic compounds from the atmosphere.     

基于文本挖掘的煤矿安全隐患分析

为充分有效利用煤矿安全隐患数据,揭示安全隐患数据中隐藏的重要信息和潜在规律,用于指导安全管理实践,在对安全隐患数据进行预处理的基础上,利用词云和词频统计方法展现安全隐患概况,运用文本挖掘技术和社会网络分析方法研究煤矿安全隐患信息的关联关系和分布规律。结果表明,将文本挖掘技术和社会网络分析方法应用于文本型安全隐患数据分析具有可行性,有助于煤矿企业提高对安全隐患数据的认知并制定合理的安全隐患治理措施。     

初始压力对连通容器甲烷-空气混合物泄爆压力的影响

建立球形容器与管道、2个球形容器与管道组成的2种形式的连通容器试验装置,研究初始压力对连通容器甲烷-空气混合物泄爆压力的影响。结果表明:连通容器内泄爆超压随初始压力增加而增大,并与初始压力近似成线性关系;对于2个球形容器与管道组成的连通容器,起爆容器的泄爆超压始终小于传爆容器;泄爆方式和点火方式对连通容器泄爆超压有较大影响,大容器点火时,2个容器的泄爆压力差随初始压力增加而增大,但小容器点火时,2个容器的泄爆压力差随初始压力的增加变化较小;初始压力对不同结构和尺寸的连通容器的泄爆压力的影响不同,当令初始压力对大容器点火时,小容器内泄爆压力受影响最大,而当对单球形容器与管道组成的连通容器的小容器点火时,小容器内泄爆压力受影响最小。     

达里诺尔湖溶解性有机质荧光特征与人工神经网络非线性响应研究

研究湖泊水体DOM（溶解性有机质）特征及其与复合环境要素的响应关系,对水生态系统保护及生物地球化学循环研究具有重要意义.以内蒙古达里诺尔湖（简称“达里湖”）为研究区,利用紫外-可见光谱技术（UV-vis）和人工神经网络模型（ANN）方法,开展达里湖水体DOM特征识别及其水质响应关系的研究.结果表明:①达里湖水环境污染程度较为严重,水体呈富营养化趋势.DOM吸收系数〔α（355）〕表明,夏季湖体DOM浓度较高.②建立了α（355）与达里湖水体ρ（TN）、ρ（TP）、pH和ρ（Chla）的人工神经网络模型,该模型验证期和测试期决定系数（R2）分别为0.78和0.84,该模型具有较好的DOM模拟和预测能力.③人工神经网络模型参数敏感性分析结果表明,α（355）对ρ（Chla）变化最敏感,敏感性水平为31.95%;其次为pH和ρ（TN）,α（355）对二者变化的敏感性水平分别为28.53%和25.54%;α（355）对ρ（TP）变化敏感性最低,敏感性水平为8.16%.研究显示,达里湖DOM对富营养化的发生具有较显著的表征影响,人工神经网络模型可为富营养化预测提供科学参考.      

水源水消毒副产物生成势与UV254/DOC的相关性研究

使用XAD-4和XAD-8树脂对宜兴3个水源原水中DOM进行亲疏水性分类,采用优化方法测定分类水样的DBPFP,并进行DBPFP与DOM量化指标之间的相关性分析,以确定实际生产过程DBPs生成量的主要影响因素.由三维荧光光谱图得到3个水源原水DOM组成差异较大,水质区别明显.由亲疏水性分类分析发现原水中疏水性和亲水性DOM含量较高,疏水性DOM水样的DBPFP大于原水,得到水样的DBPFP主要取决于DOM与消毒剂反应产生DBPs的效率,而不是DOM的量.引入UV_(254)/DOC这个指标,发现不同分类水样UV_(254)/DOC的差异情况与其DBPFP相吻合,对两者进行回归分析,发现水样THMFP和DHAAFP与UV_(254)/DOC之间存在明显的线性关系,线性可决系数R2分别为0.89和0.85.因此研究减小原水UV_(254)/DOC的技术工艺对于控制给水中DBPs浓度具有重要意义.     

基于QSAR关系预测PCBs和部分PAHs在LDPE中的扩散系数

分子扩散系数（D）是获得污染物与环境介质之间的平衡分配系数（K）的重要前提,然而通过实验测定获取污染物的扩散系数的过程过于繁琐,因此需开发一种更为简单、高效、准确的预测模型来定量预测扩散系数.为此,本文搜集了一些多环芳香烃（PAHs）和多氯联苯（PCBs）在低密度聚乙烯膜（LDPE）上扩散系数（log D）的实测值,基于定量结构-活性关系（QSAR）,利用逐步多元线性回归（MLR）构建了预测D值的模型.模型的决定系数R_adj²为0.941,交叉验证系数Q_LOO²为0.934,外部系数Q_ext²为0.895.结果表明,该QSAR模型具有良好的拟合优度、稳健性和预测能力,其可用来预测应用域内有机污染物在LDPE膜上的扩散系数.     

Inhibition of thrombin by functionalized C60 nanoparticles revealed via in vitro assays and in silico studies

The studies on the human toxicity of nanoparticles (NPs) are far behind the rapid development of engineered functionalized NPs. Fullerene has been widely used as drug carrier skeleton due to its reported low risk. However, different from other kinds of NPs, fullerene-based NPs (C₆₀ NPs) have been found to have an anticoagulation effect, although the potential target is still unknown. In the study, both experimental and computational methods were adopted to gain mechanistic insight into the modulation of thrombin activity by nine kinds of C₆₀ NPs with diverse surface chemistry properties. In vitro enzyme activity assays showed that all tested surface-modified C₆₀ NPs exhibited thrombin inhibition ability. Kinetic studies coupled with competitive testing using 3 known inhibitors indicated that six of the C₆₀ NPs, of greater hydrophobicity and hydrogen bond (HB) donor acidity or acceptor basicity, acted as competitive inhibitors of thrombin by directly interacting with the active site of thrombin. A simple quantitative nanostructure-activity relationship model relating the surface substituent properties to the inhibition potential was then established for the six competitive inhibitors. Molecular docking analysis revealed that the intermolecular HB interactions were important for the specific binding of C₆₀ NPs to the active site canyon, while the additional stability provided by the surface groups through van der Waals interaction also play a key role in the thrombin binding affinity of the NPs. Our results suggest that thrombin is a possible target of the surface-functionalized C₆₀ NPs relevant to their anticoagulation effect.