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The Range of Physicochemical Parameters for the Active Ingredients of Fungicides and Insecticides as Crop Protection Agents  

Song, Sun-Sup (Hankook Samgong, Research Institute of pesticide)
Sung, Nack-Do (Division of Applied Biology & Chemistry, Chung-nam National University)
Publication Information
Applied Biological Chemistry / v.46, no.4, 2003 , pp. 280-284 More about this Journal
Abstract
To develope of diagnosis and estimation system for utility of fungicides and insecticides as crop protection agents, various 10 physicochemical parameters, hydrophobicity (LogP), dipole moment (DM), HOMO energy, LUMO energy, molar refractivity $(MR:\;cm^3/mol)$, polarizability $(Pol:\;A^3)$, van der Waals molecular surface area $(A^2)$, van der Waals molecular volume $(Vol:\;cm^3)$, molecular weight (amu), hydration energy (Kcal/mol) for the active ingredients of 133 fungicides and 152 insecticides were calculated. And then the distribution ranges for each of the physicochemical parameters in fungicides, sterol biosynthesis inhibitors (DMI: demethylation inhibitor), insecticides and acetylcholine esterase inhibitors (AChE) were confirmed. It is suggested that the various compounds based on the range of the physicochemical parametes could be predicted for possibilities as fungicides and insecticides.
Keywords
crop protection agents; fungicides; insecticides; physicochemical parameters; diagnosis & evaluation system;
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