Structure-activity relationships and response-surface analysis of nitroaromatics toxicity to the yeast (Saccharomyces cerevisiae)

Inhibition of growth of the yeast Saccharomyces cerevisiae (Cmiz, the minimum concentration that produced a clear inhibition zone within 12 h) for 24 nitroaromatic compounds was investigated and a quantitative structure-activity relationship (QSAR) developed based on hydrophobicity expressed as the l-octanol/water partition coefficient in logarithm form, log K(ow), electrophilicity based on the energy of the lowest unoccupied orbital (E(lumo)). All nitrobenzene derivatives exhibited enhanced reactive toxicity than baseline. The toxicities of mono-nitrobenzenes and di-nitrobenzenes were elicited by different mechanisms of toxic action. For mono-nitro-derivatives, both significant log K(ow) based and strong E(lumo)-dependent relationships were observed indicating that their toxicities were affected both by the penetration process and the interaction with target sites of interaction. The toxicities of di-nitrobenzenes were greater than mono-nitrobenzenes and no log K(ow)-dependent but highly significant E(lumo)-based relationship was obtained. This suggests that toxicity of di-nitrobenzenes was highly electrophilic and involved mainly their in vivo electrophilic interaction with biomacromolecules. In an effort to model the elevated toxicity of all nitrobenzenes, a response-surface analysis was performed and this resulted in a highly predictive two-variable QSAR without reference to their exact mechanisms (Cmiz = 0.41 log K(ow) - 0.89 E(lumo) - 0.46, r2 = 0.87, Q2 = 0.86, n = 24).     

Quantification of joint effect for hydrogen bond and development of QSARs for predicting mixture toxicity

A QSAR model is successfully proposed to predict the toxicity effect on Photobacterium phosphoreum by nonpolar-narcotic-chemical mixtures and/or polar-narcotic-chemical mixtures. For nonpolar-narcotic-chemical mixtures and polar-narcotic-chemical mixtures, their corresponding hydrophobicity-based QSAR models are derived from regression analysis. Comparison of these two QSAR models make us believe that it is the joint effect of hydrogen bond in polar-narcotic-chemical mixture that leads to the difference between these two models. Such joint effect of hydrogen bond can be quantified as AMH and BMH by using the different partition coefficients of mixtures in various organic phase/water systems. And the regression analysis results convinced us that the introduction of AMH does improve the quality of the QSAR model with r2=0.948, S.E.=0.166 and F=745.201 at P=0.000 for total 84 mixtures.     

柱生物曝气法吸附处理含铬废水

利用复合生物吸附剂FY01与活性污泥作为吸附材料，探讨了柱式生物曝气法对高浓度含铬电镀废水的生物吸附效果。研究结果表明，FY01性能稳定，耐进水pH冲击能力较强。当进水pH=2—5、流速为500mL／h时，10gFY01和5g活性污泥联合处理60．4mg／L含铬电镀废水2h后，铬的去除率达78％以上；在4℃冰箱和23—28℃实验室保存50d的FY01对铬的去除分别在78％～83％和77％-84％之间。柱式生物曝气吸附法对含铬废水的处理效果理想，运行稳定。串联处理2000mL总Cr、Cu^2＋和COD浓度分别为60．4、4．51和48．2mg／L的电镀废水2h后，去除率分别高达92．1％、99．2％和71．4％。     

某电厂堆灰场附近浅层地下水中Cr6+的成因及治理措施

分析了焦作某电厂堆灰场附近浅层地下水中Cr6+ 的形成原因。根据该区水文地质背景 ,提出在地下污染水羽的下游建可渗透反应墙的漏斗 -通道系统 ,用对Cr6+ 有很高去除效率的风化煤作为反应材料 ,使污染水羽流经此系统时有效去除地下水中的Cr6+ ,达到净化的目的     

钢铁行业不同物料的二英生成分布及机理探讨

钢铁行业是我国二噁英的第一大排放源,但对不同钢铁生产过程二英的生成排放认识有所欠缺.本文系统探究了钢铁行业不同物料的二噁英生成能力和同系物分布特征.结果表明,烧结飞灰的二英生成能力最强,而烧结生料生成二噁英能力最弱.3种污泥(连铸、热轧、冷轧)和烧结生料的二英生成途径相似,4种飞灰(电炉、转炉、高炉一次、高炉二次)之间也有相似的二英生成途径,而烧结飞灰则与其他物料均不同.所有物料中,有毒2,3,7,8-PCDD同系物之间存在极强的相关性,且氯酚合成二噁英路径也被发现存在于钢铁生产过程中.     

深圳市城区和郊区黑碳气溶胶对比研究

为了解深圳地区黑碳气溶胶（BC）的污染特征,使用深圳市西涌（XC）站点（郊区）和竹子林（ZZL）站点（城区）2014年1月1日~2015年6月30日测得的BC浓度及常规气象资料,对比研究了深圳地区两个不同代表性站点的BC变化特征.结果表明：在观测期间,郊区XC和城区ZZL站点BC小时平均浓度分别为（1.12±0.90）,（2.58±2.00）μg/m³,本底浓度分别为（0.27±1.31）,（1.07±0.85）μg/m³,气溶胶吸收系数σ_abs分别为（5.87±4.81）,（13.47±10.50） Mm^-1,城区站点值均高于郊区站点.两站点BC浓度分布均为对数正态分布,且都呈现干季高、湿季低的季节变化特点.日变化分析表明ZZL站点BC浓度呈现明显的双峰结构,XC站点日变化不明显.通过计算两地的气溶胶波长吸收指数AAE值,发现两地AAE值均接近1,说明两地BC污染主要来源于化石燃料的燃烧.进一步分析可知XC站点西北方向32km处是世界第三大集装箱码头,当西北风达到一定程度时（10~20m/s）,码头排放的污染物将严重影响XC站点的BC浓度.后向轨迹聚类分析结果表明,XC站点主要受中远距离输送影响,ZZL站点主要受周边及本地污染源排放影响.     

芳香酯类富勒烯衍生物的制备及光电性能研究

以PCBM为初始原料,经过水解、酯化反应,生成3类富勒烯衍生物,采用红外光谱(FT-IR)、核磁共振(1H NMR和13C NMR)、元素分析仪、质谱(MS)对产物结构进行了表征;并通过紫外可见光谱、循环伏安法等手段研究了目标物的光学与电化学性能,结果表明,目标物PCBTE、PCBBE、PCB(4-MOB)M的LUMO能级分别为-3.91 V、-3.88 V、-3.94 V。     

红绒盖牛肝菌菌丝对Cu(Ⅱ)和Cd(Ⅱ)生物吸附的影响因子

在离体条件下,研究了外生菌根真菌红绒盖牛肝菌(Xerocomus chrysenteron)菌丝对 Cu(Ⅱ)和 Cd(Ⅱ)生物吸附的影响因子,考察了X. chrysenteron菌丝对 Cu(Ⅱ)和 Cd(Ⅱ)的吸附能力、去除率和平衡吸附量在不同初始质量浓度和不同温度下所受影响,并采用Freundlich和Langmuir线性化吸附等温线模型拟合X. chrysenteron菌丝的生物吸附热力学特性. 结果表明:当菌丝的质量浓度为10g/L, 30 ℃时,X. chrysenteron非活性菌丝对 Cu(Ⅱ)和 Cd(Ⅱ)的最佳吸附量分别为47.11和11.72mg/g(以菌丝干质量计);X. chrysenteron非活性菌丝对 Cu(Ⅱ)和 Cd(Ⅱ)的吸附能力、去除率、平衡吸附量均优于活性菌丝;X. chrysenteron菌丝对 Cu(Ⅱ)和 Cd(Ⅱ)的吸附能力随其初始质量浓度的增加而增大,去除率随其初始质量浓度的增大而分别呈指数下降和线性下降;30 ℃时X. chrysenteron菌丝对 Cu(Ⅱ)和 Cd(Ⅱ)的吸附能力、去除率、平衡吸附量均比 25 ℃时大.     

大气环境影响评价软件的开发

文章结合Microsoft Visual Basic(VB)语言的编程特点,探讨了大气环境影响评价计算机软件系统的理论基础、设计思想和应用程序编制的实现方法,编制了专门处理大气扩散模式浓度计算的应用程序,避免了大量繁杂的手工计算工作量,可使计算快速准确,提高环境影响评价工作质量。