Title :
Notice of Retraction
Determination and Prediction of the Toxicities of Halogenated Benzenes to Photobacteria Q67
Author :
Sun, P. ; Zhang, Y.J. ; Zhai, Z.C. ; Zhao, G.H. ; Tan, J. ; Liu, H.
Author_Institution :
Coll. of Biol., Chem. Sci. & Eng., Jiaxing Univ., Jiaxing, China
Abstract :
Notice of Retraction
After careful and considered review of the content of this paper by a duly constituted expert committee, this paper has been found to be in violation of IEEE´s Publication Principles.
We hereby retract the content of this paper. Reasonable effort should be made to remove all past references to this paper.
The presenting author of this paper has the option to appeal this decision by contacting TPII@ieee.org.
Luminous bacteria are widely used to measure the toxicity because of their measurement convenient, fast and accurate. Vibrio-qinghaiensis sp. - Q67 is a new species of luminous bacteria obtained by China scholars. When it used to detect the water quality of the environment, the fresh water samples need not add to 3% of NaCl concentration, and it is very sensitive to the poisonous compounds of the outside world. In this study, using the novel freshwater luminescent bacterium - Vibrio-qinghaiensis sp. - Q67 as indication organism, the -IgEC50 values of 16 halogenated benzenes were determined. Moreover, optimized geometries were carried out at the B3LYP/6-311G** level. Afterwards, the structural and thermodynamic parameters obtained were taken as theoretical descriptors to establish the novel QSAR model for -IgEC50. But bromine atoms possess the special nature from chlorine and fluorin atoms, the parameters of 3 brominated benzenes were appropriately amended. The correlation coefficient (R2) is 0.985 prior to that of the uncorrected model (0.925). Finally, the stability of the model was checked, and the results are satisfied.
Keywords :
microorganisms; organic compounds; water quality; NaCl concentration; QSAR model; brominated benzenes; bromine atoms; chlorine atom; correlation coefficient; density functional theory method; fluorine atom; halogenated benzenes; luminous bacteria; photobacteria Q67; quantitative structure-activity relationship; structural parameters; thermodynamic parameters; toxicity measurement; vibrio-qinghaiensis sp; water quality; Compounds; Correlation; Equations; Mathematical model; Microorganisms; Predictive models; Thermodynamics;
Conference_Titel :
Bioinformatics and Biomedical Engineering, (iCBBE) 2011 5th International Conference on
Conference_Location :
Wuhan
Print_ISBN :
978-1-4244-5088-6
DOI :
10.1109/icbbe.2011.5781364