Abstract

The single toxicity (IC50) of zinc (Zn) and 11 nitro-substituted benzenes to Photobacterium phosphoreum were determined, respectively. On basis of single toxicity, the joint toxicity of binary mixtures of Zn and 11 nitro-substituted benzenes at different Zn concentrations of 0.2 IC50, 0.5 IC50, and 0.8 IC50 were measured. The joint toxicity was evaluated by toxic unit (TU) and additive index (AI) methods. The results indicated that the joint toxicity was not only depending on the Zn concentrations but also on the substituted groups of nitro-substituted benzenes. The quantitative structure-activity relation (QSAR) equations were developed and the results showed that the toxicity of nitro-substituted benzenes has different joint effect at the different Zn concentrations. At the Zn concentration of 0.2 IC50, the binary joint effects were mainly antagonism and the joint toxicity was negatively related to descriptors called VE2_B(p) and TIC3. At the Zn concentration of 0.5 IC50 and 0.8 IC50, the binary joint effects were mainly antagonism and simple addition, and the joint toxicity was related to the same descriptor Eig06_ AEA(dm). It indicated that the joint toxic actions were similar when combined at the medium and high concentrations of Zn.

Highlights

  • It is obviously that the risks of chemical pollutants are mostly evaluated on the single toxicity value of a chemical and the adverse effects or single actions of chemicals have received extensive attention [1,2,3,4]

  • Zn concentrations using the quantitative structure–activity relationships (QSARs) method, and try to analyze property or structure factors that govern the combined toxicity of nitro-substituted benzenes to P. phosphoreum; thirdly, to provide robust models to predict the toxicity of more nitro-substituted benzenes when they coexist with Zn

  • This concept is mathematically expressed for the components of a mixture as formula where, TUi is the toxic unit of chemical in an n-component mixture, ci is the concentration of a chemical i that causes a certain response (x%) in that mixture, and ECxi is the concentration of the chemical causing the same response when acting alone

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Summary

Introduction

It is obviously that the risks of chemical pollutants are mostly evaluated on the single toxicity value of a chemical and the adverse effects or single actions of chemicals have received extensive attention [1,2,3,4]. The joint interaction of nitro-substituted benzenes and Zn to organisms in aquatic ecosystem is poorly understood and little knowledge regarding their potential to produce additive toxicity or non-additive toxicity (i.e., antagonism or potentiation) as the common contaminants, the mixtures of heavy metal Zn and nitro-substituted benzenes occur inevitably and ubiquitously in aquatic environments They have been detected simultaneously in Chinese surface water, such as Songhua River, Yellow River, and Yangtze River [25,26,27]. In this sense, the study was carried out to investigate the joint toxicity of nitro-substituted benzenes and Zn and to provide information for environmental pollution diagnosis and ecological risk assessment in aquatic environments. Zn concentrations using the quantitative structure–activity relationships (QSARs) method, and try to analyze property or structure factors that govern the combined toxicity of nitro-substituted benzenes to P. phosphoreum; thirdly, to provide robust models to predict the toxicity of more nitro-substituted benzenes when they coexist with Zn

Chemicals
Bioassay
Calculation of Descriptors
Statistical Analysis of QSAR Models
Evaluation Methods of Joint Toxicity
Single Toxicity of Nitro-Substituted Benzenes and Zn
Evaluation of Joint Toxicity of Nitro-Substituted Benzenes and Zn
QSAR Analysis of the Joint Toxicity of Nitro-Substituted Benzenes and Zn
Conclusions

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