Development and Hygienic Substantiation of Calculating Models for Prognosis of Pyrazolecarboxamides, Carboxamides, Triazoles, Carbamates Classes of Fungicides Toxicity Depend on Their Physical and Chemical Properties

Abstract

Methods for determining the toxicological parameters of pesticides are long-term, labor-intensive and require significant financial and resource costs, which is why laboratories do not always cope with the increasing flow of chemical plant protection products. In solving this problem, the important role is played by methods of mathematical modeling and prediction of xenobiotics toxicity. The aim of the research is the scientific substantiation of the possibility of creating and using of calculation models for predicting the toxicity of various classes of fungicides. Materials and methods. Toxicometry indices and physico-chemical parameters of widely used in the world agriculture fungicides were used for analysis. Statistical processing of the results was carried out using IBM SPSS StatisticsBase v.22 and MS Exсel statistical program packages. Results. Significant correlation dependences between the toxic properties of fungicides of the class of pyrazole-carboxamides, carboxamides, triazoles, imidazoles, carbamates, dithiocarbamates, methoxyacrylates and their physico-chemical properties were found. Discussion. In most of cases, the calculated values correlated with experimentally established. For all valid pairs of resultant and factorial variables, a reliable correlation relationship was established. Conclusion. It was proved that the proposed calculation models for forecasting the hazard of studied fungicides are adequate and significant. The developed algorithm makes it possible to substantially simplify the conduction of toxicological experiments provided that there are data on the physical and chemical properties of the studied compounds and to accelerate the procedure for registration of new fungicides of the studied classes

Development of a Method for Prediction of Risk of Surface and Groundwater Contamination with Pesticides and Their Dangerous Aspects for Human Health

“…So, method of comprehensive assessment of pesticides leaching into the water possible adverse effects on humans developed by us has been used for the SCI-GROW evaluation [8]. The principle of complex hygienic regulation takes into account the possibility of pesticide intake through inhalation, with drinking water and food and its safe levels, is in the base of this method.…”

“…It should be noted that these literature data are very average. For example, in the soil and climatic conditions of the southern and southeastern European countries, including Ukraine, the transformation of the studied substances occurs much faster due to microbiological degradation (typical for these regions, black soils are rich in microflora) [8]. Half of the studied herbicides and insecticides are resistant or highly resistant in water, as they are poorly decomposed by photolysis and hydrolysis.…”