Single Toxicity and QSAR-Assistant Toxic Mechanisms of Pesticides (Dimethoate, Malathion, Atrazine, Prometryn and Acetochlor) to Photobacterium phosphoreum in the Sediment Lixivium

Yuhang Cai; Juan Li; Wenjin Zhao; Yu Li

doi:10.14233/ajchem.2015.17038

Issue

Vol. 27 No. 2 (2015): Vol 27 Issue 2

Issue Published : January 10, 2015

This work is licensed under a Creative Commons Attribution 4.0 International License.

Single Toxicity and QSAR-Assistant Toxic Mechanisms of Pesticides (Dimethoate, Malathion, Atrazine, Prometryn and Acetochlor) to Photobacterium phosphoreum in the Sediment Lixivium

https://doi.org/10.14233/ajchem.2015.17038

Yuhang Cai

College of Environment and Resources, Jilin University, Changchun 130012, P.R. China

Juan Li

Resources and Environmental Research Academy, North China Electric Power University, Beijing 102206, P.R. China

Wenjin Zhao

College of Environment and Resources, Jilin University, Changchun 130012, P.R. China

Yu Li

Resources and Environmental Research Academy, North China Electric Power University, Beijing 102206, P.R. China

Corresponding Author(s) : Wenjin Zhao

zhaowj@jlu.edu.cn

Asian Journal of Chemistry, Vol. 27 No. 2 (2015): Vol 27 Issue 2
Article Published : January 10, 2015

Abstract

To investigate the toxicity of diverse pesticides in the lixivium of sediments, 5 kinds of typical pesticides (dimethoate, malathion, atrazine, prometryn and acetochlor were selected as target objects to explore their single toxicity and toxic mechanisms to Photobacterium phosphoreum through the quantitative structure-activity relationship (QSAR) model, respectively. The dose-response curves of pesticides were fitted through Weibull and Logit models based on the single toxicity experiments, which indicated the toxic order of the pesticides to Photobacterium phosphoreum as follows: prometryn > dimethoate > malathion > atrazine > acetochlor. To reveal the mechanism of single toxicity, the DFT-B3LYP method with the basis set 6-31G (d) was employed to calculate 29 quantum chemical parameters of the typical pesticides as theoretical descriptors, thus a QSAR model was established using multiple linear regression method. It was found that both the first-order hyperpolarizabilities b_yyz and b_xyz have significant influence on the single toxicity of 5 pesticides and they are in proportion to the single toxicity of 5 pesticides to Photobacterium phosphoreum, where b_yyz plays a dominant role in controlling pesticide toxicity.

Keywords

Sediment Single toxicity Pesticides Photobacterium phosphoreum QSAR

Cai, Y., Li, J., Zhao, W., & Li, Y. (2015). Single Toxicity and QSAR-Assistant Toxic Mechanisms of Pesticides (Dimethoate, Malathion, Atrazine, Prometryn and Acetochlor) to Photobacterium phosphoreum in the Sediment Lixivium. Asian Journal of Chemistry, 27(2), 569–574. https://doi.org/10.14233/ajchem.2015.17038

Download Citation

References

http://www.chinapesticide.gov.cn/doc13/13030405.html.
D. Pimentel, J. Agric. Environ. Ethics, 8, 17 (1995); doi:10.1007/BF02286399.
W.F. Durham and C.H. Williams, Annu. Rev. Entomol., 17, 123 (1972); doi:10.1146/annurev.en.17.010172.001011.
M. Faust, R. Altenburger, T. Backhaus, H. Blanck, W. Boedeker, P. Gramatica, V. Hamer, M. Scholze, M. Vighi and L.H. Grimme, Aquat. Toxicol., 56, 13 (2001); doi:10.1016/S0166-445X(01)00187-4.
M. Faust, R. Altenburger, T. Backhaus, H. Blanck, W. Boedeker, P. Gramatica, V. Hamer, M. Scholze, M. Vighi and L.H. Grimme, Aquat. Toxicol., 63, 43 (2003); doi:10.1016/S0166-445X(02)00133-9.
X.W. Zhu, S.S. Liu, H.L. Ge and Y. Liu, Water Res., 43, 1731 (2009); doi:10.1016/j.watres.2009.01.004.
S.S. Liu, X.Q. Song, H.L. Liu, Y.H. Zhang and J. Zhang, Chemosphere, 75, 381 (2009); doi:10.1016/j.chemosphere.2008.12.026.
S. Xu, L. Li, Y. Tan, J. Feng, Z. Wei and L. Wang, Bull. Environ. Contam. Toxicol., 64, 316 (2000); doi:10.1007/s001280000002.
M.J. Zhu, F. Ge, R.L. Zhu, X.Y. Wang and X.Y. Zheng, Chemosphere, 80, 46 (2010); doi:10.1016/j.chemosphere.2010.03.044.
Y.L. Phyu, M.S.J. Warne and R.P. Lim, Environ. Toxicol. Chem., 27, 420 (2008); doi:10.1897/07-141R.1.
D. Nori-Shargh, F.R. Ghanizadeh, M.M. Hosseini and F. Deyhimi, J. Mol. Struct. Theochem., 808, 135 (2007); doi:10.1016/j.theochem.2007.01.001.
J.E. Lee, W. Choi and B.J. Mhin, J. Phys. Chem. A, 107, 2693 (2003); doi:10.1021/jp027133m.
X.W. Li, E. Shibata and T. Nakamura, J. Chem. Eng. Data, 48, 727 (2003); doi:10.1021/je0256582.
J. Tomasi, B. Mennucci and R. Cammi, Chem. Rev., 105, 2999 (2005); doi:10.1021/cr9904009.
X.Y. Cai, L. Jiang, Y.L. Zeng and Y. Li, Chinese J. Lumin., 34, 1667 (2013); doi:10.3788/fgxb20133412.1667.
C. Hansch, A. Leo and R.W. Taft, Chem. Rev., 91, 165 (1991); doi:10.1021/cr00002a004.
H. Gao, J.A. Katzenellenbogen, R. Garg and C. Hansch, Chem. Rev., 99, 723 (1999); doi:10.1021/cr980018g.
D.B. Wei, A.Q. Zhang, C.D. Wu, S.K. Han and L.S. Wang, Chemosphere, 44, 1421 (2001); doi:10.1016/S0045-6535(00)00538-5.
S.S. Liu, H.L. Liu, C.S. Yin and L.S. Wang, J. Chem. Inf. Comput. Sci., 43, 964 (2003); doi:10.1021/ci020377j.

References

http://www.chinapesticide.gov.cn/doc13/13030405.html.

D. Pimentel, J. Agric. Environ. Ethics, 8, 17 (1995); doi:10.1007/BF02286399.

W.F. Durham and C.H. Williams, Annu. Rev. Entomol., 17, 123 (1972); doi:10.1146/annurev.en.17.010172.001011.

M. Faust, R. Altenburger, T. Backhaus, H. Blanck, W. Boedeker, P. Gramatica, V. Hamer, M. Scholze, M. Vighi and L.H. Grimme, Aquat. Toxicol., 56, 13 (2001); doi:10.1016/S0166-445X(01)00187-4.

M. Faust, R. Altenburger, T. Backhaus, H. Blanck, W. Boedeker, P. Gramatica, V. Hamer, M. Scholze, M. Vighi and L.H. Grimme, Aquat. Toxicol., 63, 43 (2003); doi:10.1016/S0166-445X(02)00133-9.

X.W. Zhu, S.S. Liu, H.L. Ge and Y. Liu, Water Res., 43, 1731 (2009); doi:10.1016/j.watres.2009.01.004.

S.S. Liu, X.Q. Song, H.L. Liu, Y.H. Zhang and J. Zhang, Chemosphere, 75, 381 (2009); doi:10.1016/j.chemosphere.2008.12.026.

S. Xu, L. Li, Y. Tan, J. Feng, Z. Wei and L. Wang, Bull. Environ. Contam. Toxicol., 64, 316 (2000); doi:10.1007/s001280000002.

M.J. Zhu, F. Ge, R.L. Zhu, X.Y. Wang and X.Y. Zheng, Chemosphere, 80, 46 (2010); doi:10.1016/j.chemosphere.2010.03.044.

Y.L. Phyu, M.S.J. Warne and R.P. Lim, Environ. Toxicol. Chem., 27, 420 (2008); doi:10.1897/07-141R.1.

D. Nori-Shargh, F.R. Ghanizadeh, M.M. Hosseini and F. Deyhimi, J. Mol. Struct. Theochem., 808, 135 (2007); doi:10.1016/j.theochem.2007.01.001.

J.E. Lee, W. Choi and B.J. Mhin, J. Phys. Chem. A, 107, 2693 (2003); doi:10.1021/jp027133m.

X.W. Li, E. Shibata and T. Nakamura, J. Chem. Eng. Data, 48, 727 (2003); doi:10.1021/je0256582.

J. Tomasi, B. Mennucci and R. Cammi, Chem. Rev., 105, 2999 (2005); doi:10.1021/cr9904009.

X.Y. Cai, L. Jiang, Y.L. Zeng and Y. Li, Chinese J. Lumin., 34, 1667 (2013); doi:10.3788/fgxb20133412.1667.

C. Hansch, A. Leo and R.W. Taft, Chem. Rev., 91, 165 (1991); doi:10.1021/cr00002a004.

H. Gao, J.A. Katzenellenbogen, R. Garg and C. Hansch, Chem. Rev., 99, 723 (1999); doi:10.1021/cr980018g.

D.B. Wei, A.Q. Zhang, C.D. Wu, S.K. Han and L.S. Wang, Chemosphere, 44, 1421 (2001); doi:10.1016/S0045-6535(00)00538-5.

S.S. Liu, H.L. Liu, C.S. Yin and L.S. Wang, J. Chem. Inf. Comput. Sci., 43, 964 (2003); doi:10.1021/ci020377j.

Issue

Vol. 27 No. 2 (2015): Vol 27 Issue 2

Single Toxicity and QSAR-Assistant Toxic Mechanisms of Pesticides (Dimethoate, Malathion, Atrazine, Prometryn and Acetochlor) to Photobacterium phosphoreum in the Sediment Lixivium

Corresponding Author(s) : Wenjin Zhao

Abstract

Keywords

Full Article

Download Citation

References

Table Of Contents