title: Evaluation of joint toxicity of nitroaromatic compounds and copper to Photobacterium phosphoreum and QSAR analysis.
abstract: The individual toxicities of Cu and 11 nitroaromatic compounds to Photobacterium phosphoreum were determined. The toxicity was expressed as the concentrations causing a 50% inhibition of bioluminescence after 15 min exposure (IC(50)). To evaluate the joint effect between the metal ion and the 11 nitroaromatic compounds, the joint toxicity of Cu and 11 nitroaromatic compounds were measured at different Cu concentrations (0.2IC(50), 0.5IC(50) and 0.8IC(50)), respectively. The result shows that the binary joint effect between Cu and nitroaromatic compounds is mainly simple addition at the low Cu concentration (0.2IC(50)). However, an antagonism effect, 55% and 64%, was observed between Cu and 11 nitroaromatic compounds for Cu at medium and high concentrations (0.5IC(50) and 0.8IC(50)). Quantitative structure-activity relationship (QSAR) analysis was performed to study the joint toxicity for the 11 nitroaromatic compounds. The result shows that the toxicity of nitroaromatic compounds is related to descriptors of Connolly solvent-excluded volume (CSEV) and dipolarity/polarizability (S) at low Cu concentration. On the other hand, the toxicity is related to Connolly accessible area (CAA) at medium and high Cu concentrations. The result indicates that different QSAR models on complex mixtures need to be developed to assess the ecological risk in real environments. Using single toxic data to evaluate the toxic effect of mixtures may result in wrong conclusions.
authors.affiliation: College of Urban and Environmental Sciences, Northeast Normal University, Changchun, Jilin 130024, PR China.
authors.forename: Limin
authors.initials: L
authors.lastname: Su
authors.forename: Xujia
authors.initials: X
authors.lastname: Zhang
authors.forename: Xing
authors.initials: X
authors.lastname: Yuan
authors.forename: Yuanhui
authors.initials: Y
authors.lastname: Zhao
authors.forename: Dongmei
authors.initials: D
authors.lastname: Zhang
authors.forename: Weichao
authors.initials: W
authors.lastname: Qin
mesh_terms: D019327:Copper Sulfate / Q000737:chemistry / Q000633:toxicity*; D004305:Dose-Response Relationship, Drug; D004357:Drug Synergism; D006841:Hydrocarbons, Aromatic / Q000737:chemistry / Q000633:toxicity*; D020128:Inhibitory Concentration 50; D009574:Nitro Compounds / Q000737:chemistry / Q000633:toxicity*; D010776:Photobacterium / Q000187:drug effects*; D021281:Quantitative Structure-Activity Relationship; D014874:Water Pollutants, Chemical / Q000737:chemistry / Q000633:toxicity*
chemical_list: D006841:Hydrocarbons, Aromatic; D009574:Nitro Compounds; D014874:Water Pollutants, Chemical; D019327:Copper Sulfate