The wide use of quaternary ammonium cationic surfactants(QACs)results in their release into the environment.Most surfactants have significant biotoxicity.However,existing toxicity data on QACs are still lacking,especi...The wide use of quaternary ammonium cationic surfactants(QACs)results in their release into the environment.Most surfactants have significant biotoxicity.However,existing toxicity data on QACs are still lacking,especially regarding the joint toxic effects of their mixtures.In computer simulation technology,molecular docking technology is commonly used for studying the mode of action of receptors docking with ligands.The research of QACs mixture interaction is relatively rare,and the binding mode of QACs is unknown.In this study,molecular docking technology was applied to explore the QAC binding mode,and the concentration addition(CA)and independent action(IA)models were applied for predicting the mixture toxicity.Firefly luciferase(FLuc)was used as a macromolecular receptor,and five typical QACs:benzalkonium bromide(BLB),tetraethylammonium bromide(TLB),N,N,N-trimethyl-1-tetradecyl ammonium bromide(CTE),tetrabutylammonium chloride(TAC),and dodecyltrimethylammonium chloride(DTC)were used as small molecule ligands.Molecular docking technology was used to investigate the binding mode of macromolecules and small molecules.The luminescence inhibitory effects of individual compounds and binary mixture on FLuc were determined by microplate toxicity assay of luciferase.The prediction of mixture toxicity was performed by CA and IA.The results showed that the relative toxicity follows:TLB<TAC<DTC<BLB<CTE.TLB and TAC showed the BS-Ⅱbinding mode,and BLB,CTE and DTC showed the BS-Ⅲbinding mode.The toxicity of compounds with binding mode BS-Ⅱwas less than that of those with BS-Ⅲbinding mode.Not all mixtures with the same binding mode could be predicted by CA model,and the IA model did not effectively predict the toxicity of mixtures with compound with different binding modes.The mixture toxicities of QACs with the same binding mode mostly presented additive and synergistic effects,while the mixture toxic effects of QACs with different binding modes presented additive or antagonistic effects.展开更多
文摘为探索植保无人机化学封顶作业的雾滴沉积特征,本研究开展了添加助剂和无助剂的植保无人机不同作业参数的两组田间试验,每组采用两因素裂区试验设计,无人机作业高度为主区(2.0 m、2.5 m、3.0 m、3.5 m,以H1、H2、H3、H4表示),无人机飞行速度为副区(3 m s、5 m s、7 m s,以V1、V2、V3表示),测定棉花冠层上、中、下部叶片雾滴密度、雾滴沉积量和雾滴粒径特征,评价飞喷作业效果。结果表明1)上部冠层中,H2V2的雾滴密度最大,其次是H1V1,平均雾滴密度助剂组较无助剂组高21.78%;雾滴沉积量以H2V2最大,助剂组达0.3833μL cm^(2),无助剂组达0.2667μL cm^(2);H3V2、H4V1和H2V2的雾滴相对粒径谱宽度显著小于其他处理,且其助剂组的明显低于无助剂组;2)中部冠层中,H2V2的雾滴密度及雾滴沉积量最大,其次是H3V1,平均雾滴密度及助剂组雾滴沉积量较无助剂组高52.80%和123.12%;雾滴相对粒径谱宽度助剂组以H3V1最低,无助剂组以H4V3最低,其平均值助剂组较无助剂组低7.62%;3)下部冠层中,H2V2的雾滴密度最大,其次是H1V1,平均雾滴密度助剂组较无助剂组高69.10%;雾滴沉积量助剂组以H2V2最大,其次是H3V1,无助剂组以H1V1最大,其次是H2V2,其平均值助剂组较无助剂组低93.73%;雾滴相对粒径谱宽度助剂组以H2V1最低,无助剂组以H4V1最低,其平均值助剂组较无助剂组低9.10%;4)雾滴密度和雾滴沉积量随冠层加深而降低,雾滴相对粒径谱宽度则差异不大。冠层雾滴沉积总量以H2V2最大,助剂组达0.8343μL cm^(2),无助剂组为0.4221μL cm^(2),各部分雾滴沉积量CV值,助剂组以H2V2最小,无助剂组以H1V2和H2V2较小。综上所述,添加助剂且无人机作业高度为2.5 m、速度为5 m s时群体雾滴沉积量及均匀性最大,雾滴穿透性最强,可作为实际应用的参考。
基金Financially supported from the National Natural Science Foundation of China (21667013 and 21866010)Natural Science Foundation of Guangxi Province (2018GXNSFAA281156)+2 种基金Guilin Scientific Research and Technology Development Program (20180107-5)Special Funding for Guangxi’BaGui Scholar’Construction ProjectsGuangxi Key Laboratory of Environmental Pollution Control Theory and Technology for Science and Education Combined with Science and Technology Innovation Base。
文摘The wide use of quaternary ammonium cationic surfactants(QACs)results in their release into the environment.Most surfactants have significant biotoxicity.However,existing toxicity data on QACs are still lacking,especially regarding the joint toxic effects of their mixtures.In computer simulation technology,molecular docking technology is commonly used for studying the mode of action of receptors docking with ligands.The research of QACs mixture interaction is relatively rare,and the binding mode of QACs is unknown.In this study,molecular docking technology was applied to explore the QAC binding mode,and the concentration addition(CA)and independent action(IA)models were applied for predicting the mixture toxicity.Firefly luciferase(FLuc)was used as a macromolecular receptor,and five typical QACs:benzalkonium bromide(BLB),tetraethylammonium bromide(TLB),N,N,N-trimethyl-1-tetradecyl ammonium bromide(CTE),tetrabutylammonium chloride(TAC),and dodecyltrimethylammonium chloride(DTC)were used as small molecule ligands.Molecular docking technology was used to investigate the binding mode of macromolecules and small molecules.The luminescence inhibitory effects of individual compounds and binary mixture on FLuc were determined by microplate toxicity assay of luciferase.The prediction of mixture toxicity was performed by CA and IA.The results showed that the relative toxicity follows:TLB<TAC<DTC<BLB<CTE.TLB and TAC showed the BS-Ⅱbinding mode,and BLB,CTE and DTC showed the BS-Ⅲbinding mode.The toxicity of compounds with binding mode BS-Ⅱwas less than that of those with BS-Ⅲbinding mode.Not all mixtures with the same binding mode could be predicted by CA model,and the IA model did not effectively predict the toxicity of mixtures with compound with different binding modes.The mixture toxicities of QACs with the same binding mode mostly presented additive and synergistic effects,while the mixture toxic effects of QACs with different binding modes presented additive or antagonistic effects.
