title: Quantitative structure-biodegradation relationship study for biodegradation rates of substituted benzenes by river bacteria.
abstract: The biodegradation rate constant (K) of 21 substituted phenols, anilines, and benzoic acids was determined by using bacteria from the Songhua River (Jilin Province, China) as an inoculum. All of the compounds studied are readily biodegradable chemicals, as shown by their high K values. The quantitative structure-biodegradation relationship results showed that the biodegradation rate of the studied compounds is related mainly to the heat of formation (Hf) and the negative logarithm of the ionization constant (pKa), whereas no simple relationship exists with the n-octanol-water partition coefficients. The equation K = - 1.127 x 10(-3)Hf - 0.0388pKa + 0.859 was found to fit well (r2(adj) = 0.805), and the correlation coefficient between the predicted and the experimental K values was up to 0.908.
authors.affiliation: College of Environmental Science and Engineering, Hohai University, Nanjing, 210098, People's Republic of China. ghlucc@sina.com
authors.forename: Guang H
authors.initials: GH
authors.lastname: Lu
authors.forename: Chao
authors.initials: C
authors.lastname: Wang
authors.forename: Guo Z
authors.initials: GZ
authors.lastname: Bao
mesh_terms: D000814:Aniline Compounds / Q000737:chemistry*; D001565:Benzoates / Q000737:chemistry*; D001673:Biodegradation, Environmental; D002681:China; D005618:Fresh Water / Q000737:chemistry / Q000382:microbiology; D007700:Kinetics; D010636:Phenols / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship; D013997:Time Factors; D014871:Water Microbiology; D014874:Water Pollutants, Chemical
chemical_list: D000814:Aniline Compounds; D001565:Benzoates; D010636:Phenols; D014874:Water Pollutants, Chemical