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Method for forecasting reproduction toxicity of phenol compounds to daphnia magna

A technology of phenolic compounds and phenolic compounds is applied in the prediction field to achieve the effects of facilitating mechanism analysis, reducing the application field and improving the prediction ability.

Inactive Publication Date: 2015-03-11
NANJING INST OF ENVIRONMENTAL SCI MINIST OF ECOLOGY & ENVIRONMENT OF THE PEOPLES REPUBLIC OF CHINA
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  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0008] This patent involves the cross-reference method to predict the reproductive toxicity of phenolic compounds to Daphnia magna, which belongs to the risk assessment and prediction technology, which is still blank in the field of domestic environmental management

Method used

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  • Method for forecasting reproduction toxicity of phenol compounds to daphnia magna
  • Method for forecasting reproduction toxicity of phenol compounds to daphnia magna
  • Method for forecasting reproduction toxicity of phenol compounds to daphnia magna

Examples

Experimental program
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Effect test

Embodiment 1

[0034] Selected 48 phenolic compounds from Results of Eco-toxicity tests of chemicals conducted by Ministry of the Environment in Japan (-March 2010), 2,3,4,6-tetrachlorophenol, 1,2-terphenyl, 1, 2,3-trichlorobenzene, 2,6-dimethylaniline, 6-tert-butyl-3-methylphenol, 2-sec-butylphenol, o-methoxyphenol, biphenyl, biphenol , o-dichlorobenzene, 2-chloroaniline, 1,2-phenylenediamine, 2,5-dimethylaniline, 2,4-diaminotoluene, 2,4,5-trichlorophenol, 2,4- Dinitrochlorobenzene, trifluorotoluene, 4-tert-butyltoluene, 4-toluenesulfonyl chloride, p-toluene benzoic acid, phthalic acid, N-methylaniline, diphenylguanidine, butylbenzene, 2,4- Dimethylphenol, p-xylene, p-chlorotoluene, 4-methylphenol, p-chlorophenol, p-phenylenediamine, m-xylene, m-phenylenediamine, 1-amino-3,5-xylene, 1, 3,5-Trichlorobenzene, toluene, bis(2-ethylhexyl) phthalate, di-n-octyl phthalate, tribromophenol, benzophenone, dimethyl terephthalate, Trichlorobenzene, 2,4-dichlorophenol, diphenylamine, 4-aminophenol, 1,...

Embodiment 2

[0042] Based on the model established in Example 1, o-methoxyphenol is selected as the target compound, and the reproductive toxicity of Daphnia magna is predicted through trend analysis and cross-reference methods:

[0043] Quantitative structure-activity relationship model predicts o-methoxyphenol (CAS: 90-05-1) substance Daphna magna reproductive toxicity 21d-NOEC predicted value is 0.27mg / L, within the predicted range, predicts 21d-NOEC value by trend analysis method It is 0.44mg / L. In addition, according to the "Guidelines for Testing Chemicals" (HJ / T 153-2004), referring to the OECD211 test standard for reproductive toxicity of Daphnia magna, the reproductive toxicity of o-methoxyphenol was determined by semi-static test method. According to the test results, the 21d-NOEC of the reproductive toxicity of o-methoxyphenol to Daphnia magna was 0.75 mg / L. According to the cross-reference method, the four chemical substances with the highest structural similarity of o-methoxy...

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Abstract

The invention relates to a method for using a cross-referencing method to forecast the reproduction toxicity of phenol compounds to daphnia magna and belongs to the risk evaluation and prediction technology. The method for forecasting the reproduction toxicity of the phenol compounds to the daphnia magna includes that building a data information set of the phenol compounds according to the common functional groups, physical and chemical properties, end point data and toxicity mechanism of the phenol compounds, and selecting the cross-referencing method to forecast the end point data of the reproduction toxicity of the phenol compounds to the daphnia magna according to the chemical substance similarity and end point change rule.

Description

technical field [0001] The invention relates to a prediction method, in particular to a method for predicting the reproductive toxicity of phenolic compounds to Daphnia magna by using a cross-reference method, which belongs to the risk assessment and prediction technology. technical background [0002] With the rapid development of industry, the quantity and types of toxic chemicals produced, used and discharged into the environment are increasing substantially, posing more and more serious threats to human health and the ecological environment. Conventional biological test methods are difficult to detect. Quickly and efficiently identifying "safe" concentrations of chemicals in the environment makes it often difficult to establish the relationship between their toxic effects and exposure levels. On the other hand, the ecological impact assessment of new chemical substances in my country mainly uses measured data and expert review methods, but the measured method is expensiv...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/00
Inventor 范德玲刘济宁王蕾石利利
Owner NANJING INST OF ENVIRONMENTAL SCI MINIST OF ECOLOGY & ENVIRONMENT OF THE PEOPLES REPUBLIC OF CHINA
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