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 Bacillus cereus 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.

中文翻译：

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某些咪唑鎓盐的合成，结构分析和生物活性。

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，从而在其上获得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结论，可以认为理论结果是确定其分子构型的良好方法。根据临床和实验室标准协会的指南，使用肉汤稀释法确定盐对所选细菌和癌细胞系的体外生物活性。1蜡样芽孢杆菌ATCC11778。3-双（2-羧乙基）-4-甲基-1-H-咪唑-3-溴化铵对HeLa有效，而在3-（2-羧乙基）Hep G2上观察到相似的作用-1-（3-氨基丙基）-1H-咪唑-3-溴化铵。