The Effects of Molecular Properties on Ready Biodegradation of Aromatic Compounds in the OECD 301B CO2 Evolution Test.
Ready biodegradation is the primary biodegradability of a compound, which is used for discriminating whether a compound could be rapidly and readily biodegraded in the natural ecosystems in a short period and has been applied extensively in the environmental risk assessment of many chemicals. In this study, the effects of 24 molecular properties (including 2 physicochemical parameters, 10 geometrical parameters, 6 topological parameters, and 6 electronic parameters) on the ready biodegradation of 24 kinds of synthetic aromatic compounds were investigated using the OECD 301B CO2 Evolution test. The relationship between molecular properties and ready biodegradation of these aromatic compounds varied with molecular properties. A significant inverse correlation was found for the topological parameter TD, five geometrical parameters (Rad, CAA, CMA, CSEV, and N c), and the physicochemical parameter K ow, and a positive correlation for two topological parameters TC and TVC, whereas no significant correlation was observed for any of the electronic parameters. Based on the correlations between molecular properties and ready biodegradation of these aromatic compounds, the importance of molecular properties was demonstrated as follows: geometrical properties > topological properties > physicochemical properties > electronic properties. Our study first demonstrated the effects of molecular properties on ready biodegradation by a number of experiment data under the same experimental conditions, which should be taken into account to better guide the ready biodegradation tests and understand the mechanisms of the ready biodegradation of aromatic compounds.
Key Laboratory of Exploration Technologies for Oil and Gas Resources (Yangtze University), Ministry of Education, Jingzhou, 434023, China.|School of Earth Environment and Water Resource, Yangtze University, Wuhan, 430100, China.
Mei
M
He
Guangdong Provincial Key Laboratory of Microbial Culture Collection and Application, Guangdong Institute of Microbiology, Guangzhou, 510070, China.|State Key Laboratory of Applied Microbiology Southern China, Guangzhou, 510070, China.
Cheng-Fang
CF
Mei
Guangdong Provincial Key Laboratory of Microbial Culture Collection and Application, Guangdong Institute of Microbiology, Guangzhou, 510070, China.|State Key Laboratory of Applied Microbiology Southern China, Guangzhou, 510070, China.
Guo-Ping
GP
Sun
School of Ocean, Shandong University, Weihai, 264209, China.
Hai-Bei
HB
Li
School of Ocean, Shandong University, Weihai, 264209, China.
Lei
L
Liu
Guangdong Provincial Key Laboratory of Microbial Culture Collection and Application, Guangdong Institute of Microbiology, Guangzhou, 510070, China. xumy@gdim.cn.|State Key Laboratory of Applied Microbiology Southern China, Guangzhou, 510070, China. xumy@gdim.cn.
Mei-Ying
MY
Xu
D001673:Biodegradation, Environmental; D002245:Carbon Dioxide / Q000737:chemistry*; D017753:Ecosystem; D004784:Environmental Monitoring; D006841:Hydrocarbons, Aromatic / Q000737:chemistry*; D008956:Models, Chemical; D066150:Organisation for Economic Co-Operation and Development; D018570:Risk Assessment
D006841:Hydrocarbons, Aromatic; D002245:Carbon Dioxide