| 预测取代芳烃生物降解性的电性拓扑态模型 |
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| 引用本文： | 冯长君,杨伟华,沐来龙,杨春峰.预测取代芳烃生物降解性的电性拓扑态模型[J].湖南师范大学自然科学学报,2009,32(1). |
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| 作者姓名： | 冯长君 杨伟华 沐来龙 杨春峰 |
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| 作者单位： | 1. 徐州工程学院化学化工学院,中国,徐州,221008
2. 徐州师范大学化学化工学院,中国,徐州,221116 |
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| 基金项目： | 国家自然科学基金，国家重点实验室开放基金，国家重点联合实验室开放基金 |
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| 摘 要： | 应用电性拓扑态指数(EK)模拟分析了影响42种取代芳烃在活性污泥中的生化需氧量(BOD),建构了一个8变量的QSBR模型,其可决系数(R2)为O.53l,估算标准误差为10.777,具有良好的稳健性与预测能力.
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| 关 键 词： | 取代芳烃 生化需氧量 电性拓扑态指数 定量结构.生物降解性模型 |
Electrotopological State Index Models for Predicting Biodegradability of Substituted Aromatic Compounds |
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| FENG Chang-jun,YANG Wei-hua,MU Lai-long,YANG Chun-feng.Electrotopological State Index Models for Predicting Biodegradability of Substituted Aromatic Compounds[J].Journal of Natural Science of Hunan Normal University,2009,32(1). |
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| Authors: | FENG Chang-jun YANG Wei-hua MU Lai-long YANG Chun-feng |
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| Institution: | 1.School of Chemistry & Chemical Engineering Xuzhou Institute of Technology;Xuzhou 221008;China;2.School of Chemistry & Chemical Engineering Xuzhou Normal University;Xuzhou 221116;China |
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| Abstract: | 8 variables quantitative structure-biodegradability relationship(QSBR) model is established applying electrotopological state index(Ek) simulation analysis of the biochemical oxygen demand(BOD) of 42 substituted aromatic compounds with activated sludge.The model determining coefficient(R2) is 0.531,and standard deviation is 10.777,which possessed robustness and predictability. |
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