TY  - JOUR
T1  - PHOTOCATALYTIC DEGRADATION OF AMOXICILLIN: A COMBINED COMPUTATIONAL APPROACH TO THE DETERMINATION OF REACTION PATHWAYS
TT  - AMOKSİSİLİNİN FOTOKATALİTİK DEGRADASYONU: HESAPSAL OLARAK REAKSİYON YOLLARININ BELİRLENMES
AU  - Tekpetek, Tufan
AU  - Gürkan, Yelda
PY  - 2015
DA  - January
DO  - 10.18596/jotcsa.74052
JF  - Journal of the Turkish Chemical Society Section A: Chemistry
JO  - JOTCSA
PB  - Turkish Chemical Society
WT  - DergiPark
SN  - 2149-0120
SP  - 56
EP  - 58
VL  - 2
IS  - 2
LA  - en
AB  - Amoxicillin, an antibacterial drug, is a part of aminopenicillin family, which is so calledbroad-spectrum penicillin. In addition to many therapeutic activities, these drugs haveseveral side effects like rash and anaphylaxis. The drug interactions occurring outside thebody are categorized as physical or chemical and may occur during formulation, storageas well as while mixing ingredients.The presence of pharmaceuticals in the aquatic environment as well as in drinking waterhas raised a growing concern in recent years. Among the groups of pharmaceuticalcompounds of greatest environmental interest are antibiotics due to their extensive use forthe treatment of bacterial infections in the whole world. The most dangerous effect ofantibiotics is the development of multi-resistant bacterial strains that can no longer betreated with the presently known drugs.Calculations were carried out using the Density Functional Theory DFT/B3LYP/6-31G* levelsby using COSMO as the solvation model. For this purpose, possible rections was examinedestimately using Gaussian 09 package software.
N2  - Amoksisilin, anti-bakteriyel bir maddedir, bu yüzden, penisilin grubundan aminopenisilinailesinin bir parçasıdır. Birçok tedavi faaliyetlerinin yanı sıra, bu ilaçlar döküntü veanafilaksi gibi birçok yan etkileri vardır. Vücut dısında fiziksel ya da kimyasal olaraketkilesimi vardır.Son yıllarda içme sularında bu ilaçlara rastlanması büyük endise yarattı. Farmasötik bilesikgrupları arasında olan antibiyotikler bakteriyel enfeksiyonların tedavisi için genis birkullanım alanına sahiptir.Hesaplamalar su fazında Cosmo modeli kullanarak ve gaz fazında Yoğunluk FonksiyonelTeorisi DFT / B3LYP / 6-31G * seviyeleri kullanılarak erçeklestirilmistir. Bu amaçla,muhtemel reaksiyon yolları, Gauss 09 paket programı kullanılarak incelenmistir.
CR  - Y.Y. Gurkan, N. Turkten, A. Hatipoglu and Z. Cinar, Chemical Engineering Journal, 184, 113–124, (2012).
UR  - https://doi.org/10.18596/jotcsa.74052
L1  - https://dergipark.org.tr/en/download/article-file/178706
ER  -