Uluçam Gühergül, Turkyilmaz Murat
Department of Chemistry, Trakya University, 22030 Edirne, Turkey.
Bioinorg Chem Appl. 2018 May 22;2018:1439810. doi: 10.1155/2018/1439810. eCollection 2018.
Four newly synthesized imidazolium salts were characterized by nuclear magnetic resonance, vibrational spectra, and mass spectra. Then, the density functional theory calculations were performed to obtain the molecular configurations on which the theoretical nuclear magnetic resonance and infrared spectra were consequently obtained. The comparison of calculated spectra with the experimental spectra for each molecule leads to the conclusion that the theoretical results can be assumed to be a good approach to their molecular configurations. The in vitro biological activities of the salts on the selected bacteria and cancer cell lines were determined by using the broth dilution method according to Clinical and Laboratory Standards Institute guidelines. The 1,3-bis(2-hydroxyethyl) imidazolidinium bromide and 3-(2-ethoxy-2-oxoethly)-1-(3-aminopropyl)-1H-imidazol-3-ium bromide showed efficiency on ATCC 11778. The 3-bis(2-carboxyethyl)-4-methyl-1-H-imidazol-3-ium bromide was effective on HeLa while a similar effect was observed on Hep G2 with 3-(2-carboxyethyl)-1-(3-aminopropyl)-1H-imidazol-3-ium bromide.
通过核磁共振、振动光谱和质谱对四种新合成的咪唑鎓盐进行了表征。然后进行密度泛函理论计算以获得分子构型,进而得到理论核磁共振和红外光谱。将每个分子的计算光谱与实验光谱进行比较,得出理论结果可被视为确定其分子构型的良好方法这一结论。根据临床和实验室标准协会指南,采用肉汤稀释法测定了这些盐对所选细菌和癌细胞系的体外生物活性。1,3-双(2-羟乙基)咪唑啉溴化物和3-(2-乙氧基-2-氧代乙基)-1-(3-氨基丙基)-1H-咪唑-3-鎓溴化物对ATCC 11778显示出有效性。3-双(2-羧乙基)-4-甲基-1-H-咪唑-3-鎓溴化物对HeLa有效,而3-(2-羧乙基)-1-(3-氨基丙基)-1H-咪唑-3-鎓溴化物对Hep G2有类似效果。