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本文以线性自由能理论为基础提出了一种利用分子轨道能预测有机物生物毒性的方法,并利用这种方法建立了预测氯代芳烃化合物发光菌毒性的定量相关方程。 相似文献
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本文从菌种、原理、方法以及动力学等几个方面概述了微生物降解含氯有机化合物的研究进展。 相似文献
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分子表面积的精确和经验计算及其在QSAR中的应用 总被引:4,自引:1,他引:4
本文列出了精确计算分子表面积的公式,在分子几何结构优化的基础上,可用此式得到准确的分子表面积,用该法对20种氯代酚进行了计算,所得分子表面积能很好地预言其正辛醇/水分配系数,并且用分子表面积(或取代基数)加上OH基的表面积,能很好预言其对发光菌的产性。此外,还提出了计算公子表面积的经验方法-碎片加和法,此法应用于某些取代烃化合物,也得到正辛醇/水分配系数很好的相关性。 相似文献
187.
建立了同时测定工作场所空气中多苯类、多环芳烃类、不饱和脂肪族酯类化合物的检测方法,该方法操作简便,重复性好,在目标化合物质量浓度2~100 mg/L范围内线性良好,回收率90%,RSD5%,检出限为0.4~0.6 mg/L。结果表明,方法适用于工作场所空气中多苯类、多环芳烃类、不饱和脂肪族酯类化合物的检测要求。 相似文献
188.
Christ De Rooij Jean-Charles Boutonnet Veronique Garny Andre Lecloux Roger Papp Roy S Thompson Dolf Van Wijk 《Environmental monitoring and assessment》1998,53(3):425-445
This risk assessment on 1,2-dichloroethane (EDC) was carried out specifically for the marine environment, according to the methodology laid down in the EU risk assessment Regulation (1488/94) and the Guidance Document of the EU New and Existing Substances Regulation (TGD, 1997). The study consists of the collection and evaluation of data on effects and environmental concentrations from analytical monitoring programs in large rivers and estuaries in the North Sea area. The risk is indicated by the ratio of the "predicted environmental concentrations" (PEC) and the "predicted no effect concentrations" (PNEC) for the marine aquatic environment. In total, 21 studies for fish, 17 studies for invertebrates and 7 studies for algae have been evaluated. Both acute and chronic toxicity studies have been taken into account and the appropriate assessment factors have been used to define a PNEC value of 1100 µg/l. Most of the available monitoring data apply to rivers and estuaries and were used to calculate PECs. The most recent data (1991-1995) support a typical PEC of 0.5 µg EDC/l and a worst case PEC of 6.4 µg EDC/l. The calculated PEC/PNEC ratios give a safety margin of 170 to 2200 between the predicted no effect concentration and the exposure concentration. Additional evaluation of environmental fate and bioaccumulation characteristics showed that no concern is expected for food chain accumulation. 相似文献
189.
Euro Chlor Risk Assessment for the Marine Environment Osparcom Region: North Sea - Chloroform 总被引:1,自引:0,他引:1
Sabine Zok Jean-Charles Boutonnet Christ De Rooij Veronique Garny Andre Lecloux Roger Papp Roy S Thompson Dolf van Wijk 《Environmental monitoring and assessment》1998,53(3):401-424
This risk assessment on chloroform was carried out specifically for the marine environment, according to the methodology laid down in the EU risk assessment Regulation (1488/94) and the Guidance Document of the EU New and Existing Substances Regulation (TGD, 1997). The study consists of the collection and evaluation of data on effects and environmental concentrations from analytical monitoring programs in large rivers and estuaries in the North Sea area. The risk is indicated by the ratio of the "predicted environmental concentrations" (PEC) and the "predicted no effect concentrations" (PNEC) for the marine aquatic environment. In total, 23 studies for fish, 17 studies for invertebrates and 10 studies for algae have been evaluated. Both acute and chronic toxicity studies have been taken into account and the appropriate assessment factors have been used to define a typical PNEC value of 72 µg/l. Due to limitations of the studies evaluated, a worst PNEC of 1 µg/l could also be used. Most of the available monitoring data apply to rivers and estuaries and were used to calculate PECs. The most recent data (1991-1995) support a typical PEC of 0.2 µg chloroform per litre of water and a worst case PEC of 5 to 11.5 µg chloroform per litre of water. The calculated PEC/PNEC ratios give a safety margin of 6 to 360 between the predicted no effect concentration and the exposure concentrations. A worst case ratio, however, points to a potential risk for sensitive species. Refinement of the assessment is necessary by looking for more data. Additional evaluation of environmental fate and bioaccumulation characteristics showed that no concern is expected for food chain accumulation. 相似文献
190.
Christ De Rooij Jean Charles Boutonnet Veronique Garny Andre Lecloux Roger Papp Roy S Thompson Dolf Van Wijk 《Environmental monitoring and assessment》1998,53(3):489-508
This risk assessment on tetrachloroethylene (PER) was carried out specifically for the marine environment, according to the methodology laid down in the EU risk assessment Regulation (1488/94) and the Guidance Document of the EU New and Existing Substances Regulation (TGD, 1997). The study consists of the collection and evaluation of data on effects and environmental concentrations from analytical monitoring programs in large rivers and estuaries in the North Sea area. The risk is indicated by the ratio of the "predicted environmental concentrations" (PEC) and the "predicted no effect concentrations" (PNEC) for the marine aquatic environment. In total, 18 studies for fish, 13 studies for invertebrates and 8 studies for algae have been evaluated. Both acute and chronic toxicity studies have been taken into account and the appropriate assessment factors have been used to define a PNEC value of 51 µg/l. Most of the available monitoring data apply to rivers and estuary waters and were used to calculate PECs. The most recent data (1991-1995) support a typical PEC of 0.2 µg PER/l water and a worst case PEC of 2.5 µg PER/l water. The calculated PEC/PNEC ratios give a safety margin of 20 to 250 between the predicted no effect concentration and the exposure concentration. Additional evaluation of environmental fate and bioaccumulation characteristics showed that no concern is expected for food chain accumulation. 相似文献