title: QSAR evaluation of cyanohydrins' fumigation toxicity to house fly (Musca domestica) and lesser grain borer (Rhyzopertha dominica).
abstract: Using fumigation toxicity data of 11 natural and synthetic cyanohydrins to house fly (Musca domestica) and a stored-product pest, the lesser grain borer (Rhyzopertha dominica), the quantitative structure-activity relationships (QSAR) of cyanohydrins were examined by Oxford Molecular CAChe 3.2 and Microsoft Excel. This analysis used eight physicochemical parameters. Correlation between the LC(50) values for house fly and lesser grain borers was also evaluated. The results showed that log P, polarizability, and molar refractivity are the best descriptors to explain the relationship between the structure of cyanohydrins and biological effects in house flies, and to a lesser degree in lesser grain borers. A significant relationship was also found between the toxicity to house flies and lesser grain borers.
authors.affiliation: Department of Entomology, Iowa State University, Ames 50011, USA.
authors.forename: Dong-Sik
authors.initials: DS
authors.lastname: Park
authors.forename: Justin A
authors.initials: JA
authors.lastname: Grodnitzky
authors.forename: Joel R
authors.initials: JR
authors.lastname: Coats
mesh_terms: D000818:Animals; D001517:Coleoptera; D005651:Fumigation; D006793:Houseflies; D007306:Insecticides / Q000008:administration & dosage*; D007928:Lethal Dose 50; D009570:Nitriles / Q000008:administration & dosage*; D021281:Quantitative Structure-Activity Relationship
chemical_list: D007306:Insecticides; D009570:Nitriles; C430593:cyanohydrin