Seawater acute reference prediction method based on metal quantitative structure-activity relationship

Abstract

The present invention relates to a seawater quality reference prediction method based on a quantitative structure-activity relationship of metal and metalloid. According to the method, the toxic endpoint of unknown metal is predicted according to a quantitative relationship between the structural feature of metallic ions and the marine life acute toxic effect, and a risk concentration for protecting different proportions of marine life is analyzed and deduced in conjunction with sensitivity distribution of different species; and a QSAR metal toxicity prediction model is established by integrating metal physical and chemical structure parameters and toxic mechanisms of different marine life and is applied to prediction of an unknown seawater quality reference maximum concentration. The seawater acute reference prediction method based on the metal quantitative structure-activity relationship is based on the ecology principle; the system screens various marine species and takes the screened marine species as smallest biological prediction sets; and single-parameter toxicity prediction models are established separately, thereby improving the model precision and prediction ability.

Description

technical field [0001] The invention relates to the field of seawater quality benchmark models, in particular to a seawater acute benchmark prediction method based on the quantitative structure-activity relationship of metals. Background technique [0002] The survival and development of human beings depend on the ocean, but with the rapid economic development of coastal areas, my country's coastal waters are encountering increasingly serious heavy metal pollution from land sources, and the balance of marine biodiversity and ecosystems is also undergoing serious tests. . For example, in the coastal area of ​​Yueqing Bay in Wenzhou, Zhejiang, the rapid development of the chemical industry and the electronic dismantling industry has caused more than 80% of the coastal zone on the 6,500-kilometer-long coastline of Zhejiang Province to be polluted, and the excess rate of copper in the surface sediments has reached 50%. In 2011 There was also a large-scale death of aquatic organis...

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Problems solved by technology

However, my country's research on marine environmental quality benchmarks is still in its infancy, and is being explored on the basis of foreign water quality benchmark research methods. At present, there are only some sporadic studies on metal seawater water quality benchmarks. The main reason is that society attaches great importance to marine ecosystems. Insufficient, there is relatively little research on the laboratory culture and reproduction technology of marine species, and the standard method of toxicity testing. The experimental data of marine organisms, especially the toxicity data of vertebrates, is seriously lacking. Compared with freshwater ecosystems, marine ecosystems have more Rich biological species, many types of organisms, such as echinoderms, can only survive in the marine environment, but according to the existing research results, the toxicity data of marine organisms is far less than that of freshwater organisms. Benchmarking poses great difficulties

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