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Structure-activity relationships and response-surface analysis of nitroaromatics toxicity to the yeast (Saccharomyces cerevisiae) 总被引:4,自引:0,他引:4
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). 相似文献
303.
Quantification of joint effect for hydrogen bond and development of QSARs for predicting mixture toxicity 总被引:4,自引:0,他引:4
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. 相似文献
304.
对锅炉烟气处理工艺进行了改造,运行结果表明,改造后的处理效果明显提高,解决了烟尘及SO2排放浓度的超标问题,实现了达标排放。 相似文献
305.
柱生物曝气法吸附处理含铬废水 总被引:7,自引:0,他引:7
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%。 相似文献
306.
四氯化碳的生产和使用,给人类带来了较大危害。为此,采用纳米铁粉这一新方法对其进行脱氯处理。试验以纳米级铁粉对四氯化碳的脱氯率为考察指标,选用L25(5^6)正交试验方案,考察了降解介质的初始pH值、纳米铁粉的质量、降解温度、摇床转速和脱氯时间5个影响因素。结果表明,pH值这一因素有极显著影响;在得出的纳米铁粉对四氯化碳脱氯的最佳工艺条件下,获得了99.5%的脱氯率,为有机氯化物脱氯开辟了一条新途径。 相似文献
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Chemical waste compositions are important for municipal solid waste management, as they determine the pollution potentials from different waste strategies. A representative dataset for chemical characteristics of individual waste fractions is frequently required to assess chemical waste composition, but it is usually reported in developed countries and not in developing countries. In this study, a dataset for Chinese waste was established through careful data screening and assessment, named as CN dataset. Meanwhile, a dataset for Danish waste (DK dataset) was also summarized based on previous studies. In order to quantitatively evaluate the reliabilities of CN and DK datasets, the chemical waste compositions in four Chinese cities were estimated by utilizing both of them, respectively. It is indicated that the usage of CN datasets led to significantly lower discrepancies from the actual values based on laboratory analysis in most cases. Within the datasets, the moisture contents of food waste, paper, textiles, and plastics, the carbon content of food waste, as well as the oxygen content of plastics would induce significant divergences, which should be paid special attention when gathering the information. In addition, the fractional waste compositions in China showed similar features with other developing countries but differ significantly with developed countries. Thus the above-mentioned conclusions could also be true in other developing countries. 相似文献