International Anatolia Academic Online Journal Health Sciences

Yazarlar: Cihan ERDOĞAN, Yelda YALÇIN GÜRKAN, Şimal KÜRÜMOĞLU

Konular:Sağlık Bilimleri ve Hizmetleri

Anahtar Kelimeler:Antibiotic,Hetacillin,Gaussian09,DFT

Özet: Antibiotics, are generally produced by fungi on nature and anti-microbial medicine used for the treatment and prevention of bacterial infections. Antibiotics have a vital importance for human beings. But excessive and unconscious usage could cause the bacteria to gain resistance against the used antibiotic. If the bacteria gets resistance against an antibiotic, that antibiotic is no longer effective against said bacteria. Antibiotic consumption of our country is incomparably higher than many European countries. Furthermore, this consumption is mostly unsuitable and unnecessary. Apart from causing bacteria to gain resistance, this situation also has major effects on the environment. In this study, the possible degradation reaction pathways of hetacillin molecule, which has been theoretically examined in the gaseous phase and aqueous media. Probable reaction path of hetacillin molecule with OH radicals was analyzed. Optimized geometry was calculated via Gauss View 5. Subsequently, the most stable state was determined through geometric optimization via Gaussian 09 program. Aiming to determine the intermediates in degradation reaction of hetacillin, geometric optimization of the molecule was realized through DFT method. Therefore, impact of water solvent was investigated using the COSMO as the solvation model implemented in Gaussian 09 package. Thus, in this study it has been aimed to theoretically calculate the analysis that cause experimental material and time loss with these calculations made.

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