| 松花江中取代苯酚和苯胺类的生物降解性及QSBR研究 |
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| 引用本文： | 赵元慧,杨绍贵.松花江中取代苯酚和苯胺类的生物降解性及QSBR研究[J].环境科学学报,2002,22(1):45-50. |
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| 作者姓名： | 赵元慧 杨绍贵 |
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| 作者单位： | 东北师范大学环境科学系,长春,130024 |
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| 基金项目： | 国家自然科学基金资助项目 (2 98770 0 4) |
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| 摘 要： | 以松花江水细菌为接种源，用碘量法分别测定了28种苯酚及苯胺类化合物的BOD5值，采用QSBR程序软件计算分子量Mw,分子体积Mv，及电离常数pKa,用ClogP程序计算了疏水性参数logP.对28种取代苯的BODT值与其物化参数间进行了回归分析，得到如下最佳回归方程，BODT＝87．5571＋5．958pKa-0.73W,n=28,R^2=0.874,SE=10.33,F=86.85,P=0.应用所得QSBR模型，预测了28种化合物的BODT值，计算了残差，并初步探讨了生物降解机理。
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| 关 键 词： | 生物降解性 回归分析 碘量法 取代苯酚 苯胺类 QSBR 松花江 污染物 |
| 文章编号： | 0253-2468(2002)-01-0045-06 |
| 收稿时间： | 2000/12/15 0:00:00 |
| 修稿时间： | 2000年12月25 |
Quantitative relationships between the structure and biodegradability of substituted benzenes in the Songhua River |
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| ZHAO Yuanhui and YANG Shaogui.Quantitative relationships between the structure and biodegradability of substituted benzenes in the Songhua River[J].Acta Scientiae Circumstantiae,2002,22(1):45-50. |
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| Authors: | ZHAO Yuanhui and YANG Shaogui |
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| Institution: | Department of Environmental Science Northeast Normal University, Changchun 130024 and Department of Environmental Science Northeast Normal University, Changchun 130024 |
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| Abstract: | The microbes in the Songhua River were used as inoculum and BOD 5 value was determined by the iodinmetry. Molecule weight( M w), molecule volume( M V) and ionization constant(p K \-a) of 28 substituted phenols and aniline were calculated by QSAR software. Meanwhile log P was calculated by C log P program. The quantitative structure biodegradability relationship was performed with BODT. Through regression analyses, the optimal equation was obtained as follows:BODT=87.5571+5.958 p K \-a-0.73 M W, n =28, R 2=0.874, SE =10 33, F =86.85, P =0. The QSBR equation was used to calculate biodegradability and residuals, and biodegradation mechanism was discussed. |
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| Keywords: | biodegradability regression analysis BODT iodinmetry |
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