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AM1-type molecular orbital calculations were performed on the geometry-optimized structures of various 4-(1’, 5’ - dimethly -4’ - heptenylidene) -1- methylcyclohexene isomers. It was found that the major component (4Z, 4’E isomer) of the sex pheromone of Eurygoaster integriceps is very dissimilar in chemical composition to the other isomers, although the stabilities and heats of the formation characteristics are comparable. | Tr. J. of Biology 22 (1998) 407-411 © TÜBİTAK Sex Pheromones of the Cereal Pest Eurygaster integriceps Puton (Heteroptera: Scutelleridae)- A Theoretical study Lemi TÜRKER Middle East Technical University Department of Chemistry Ankara-TURKEY Received: 23.06.1997 Abstract: AM1-type molecular orbital calculations were performed on the geometry-optimized structures of various 4-(1’, 5’ - dimethly -4’ - heptenylidene) -1- methylcyclohexene isomers. It was found that the major component (4Z, 4’E isomer) of the sex pheromone of Eurygoaster integriceps is very dissimilar in chemical composition to the other isomers, although the stabilities and heats of the formation characteristics are comparable. However, some small molecules resembling only a part of the pheromone might exhibit some partial activity. Key Words: Eurygaster integriceps. Heteroptera, cereal pest Scutelleridae, pheromone, molecular orbital calulations. Hububat güvesi. Eurygaster integriceps Puton’un (Heteroptera Scutelleridae) seks feromonları-Teorik bir çalışma Özet:Geometri optimize edilmiş çeşitli 4-(1’ , 5‘-dimethyl-4’-hepteniliden)-1-metilsiklohekzen izomerleri üzerinde AM1 tipi moleküler yörünge hesapları yapılmışdır. Dayanıklılık ve oluşum ısıları yönünden mukayese edilebilir olmalarına rağmen Eurygaster integriceps seks feromonunun ana elemanının (4Z, 4’E izomeri) diğer izomerlerden çok farklı olduğu bulunmuştur. Mamafih, feromonunun sadece bir kısmına benzeyen bazı ufak moleküller kısmi bir aktivite gösterebilirler. Anahtar Sözcükler: Eurygaster integriceps, Heteroptera, hububat güvesi. Scutelleridae. feromon. moleküler yörünge hesapları. Introduction In several countries. especially in the Middle and Near East, where substantial amounts of wheat and cereals are harvested, the Sunn bug Eurygaster integriceps is a major pest which causes a great deal of problems (1, 2). The experiments reported by Likvenkov have indicated that mature males of Eurygaster integriceps signal to females by .