松花江中取代苯酚和苯胺类的生物降解性及QSBR研究-环境科学学报.PDFVIP

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松花江中取代苯酚和苯胺类的生物降解性及QSBR研究-环境科学学报.PDF

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松花江中取代苯酚和苯胺类的生物降解性及QSBR研究-环境科学学报

22 1 Vol. 22, No. 1 2002 1 ACTA SCIENTIAE CIRCUMSTANTIAE Jan. , 2002 :2002 : X13 : A QSBR 赵元慧, 杨绍贵 ( , 130024) : , 28 BOD . QSBR 5 M W M V pK a, C logP logP . 28 BODT , : BODT= 87. 5571 5. 958 pK a- 0. 73 MW , n= 28, R 2= 0. 874, SE = 1033, F= 8685, P = 0. QSBR , 28 BODT , , . : , , BODT, Quantitative relationships between the structure and biodegradability of substituted benzenes in the Songhua River ZHAO Yuanhui, YANG Shaogui (Department of Environmental Science Northeast Normal University, Changchun 130024) Abstract:Themicrobes in the Songhua River were used as inoculum and BOD value was determined by the iodinmetry. Molecule weight 5 (Mw ) , moleculevolume(M V) and ionization constant( pK a) of 28 substituted phenols and anilinewere calculated by QSAR software. Mean while logP was calculated by C logP program. The quantitative structurebiodegradability relationship was performed with BODT. Through re gression analyses, the optimal equation was obtained as follows: BODT= 87. 5571 5. 958 pK a- 0. 73 M W , n = 28, R2 = 0. 874, SE = 1033, F= 86.85, P = 0. The QSBR equation was used to calculate biodegradability and residuals, and biodegradation mechanismwas dis cussed. Keywords: biodegradability; regression analysis; BODT, iodinmetry , . 28 km , 138 km. , , . . , , [ 1] . [ 2] , [ 3 6] . QSBR , . ( BOD) , BOD . 19 9 , BOD , QSBR , 28 5 : : : : ( 1961 ) , , ( ) 46