Journal of Inorganic Biochemistry ( IF 3.8 ) Pub Date : 2021-11-09 , DOI: 10.1016/j.jinorgbio.2021.111658 J G de Oliveira Neto 1 , J G Silva Filho 1 , E M Bittar 2 , L M Silva 1 , F F de Sousa 3 , H V Domingos 4 , L V Costa-Lotufo 4 , A S Reis 1 , A O Dos Santos 1
Chloro(glycinato-N,O)(1,10-phenanthroline-N,N′)‑copper(II) trihydrate complex was synthesized through the slow evaporation method. The crystal's structural, thermal, magnetic, and vibrational properties were obtained by X-ray powder diffraction (XRPD), thermal analyses, magnetization, Raman, and Fourier-transform infrared (FT-IR) spectroscopy. XRPD results showed that the crystalline complex belongs to a monoclinic system (P21/n). Thermal analyses revealed that around 333 K, the material undergoes a thermodynamically irreversible process. Magnetic data showed a paramagnetic behavior with weak ferromagnetic interactions. Moreover, all the Raman- and infrared-active bands were assigned from computational calculations based on the density functional theory (DFT) to analyze intra-molecular vibrational modes. In addition, the cytotoxic assay on colorectal cancer cells was performed to evaluate the antitumor activity of this ternary compound. Therefore, the antineoplastic activity of [Cu(1,10-phenanthroline)(glycine)Cl]•3H2O complex in HCT-116 cells was confirmed, showing a potent cytotoxic effect.
中文翻译:
氯(甘氨酸-N,O)(1,10-菲咯啉-N,N')-铜(II)三水合物配位化合物的结构、热、电子、振动、磁性和细胞毒性特性
采用慢蒸发法合成了氯(甘氨酸-N,O )(1,10-菲咯啉-N,N' )-铜(II)三水合物。通过 X 射线粉末衍射 (XRPD)、热分析、磁化、拉曼和傅里叶变换红外 (FT-IR) 光谱获得晶体的结构、热、磁和振动特性。XRPD结果表明该结晶配合物属于单斜晶系( P 2 1 / n)。热分析表明,在 333 K 左右,该材料经历了一个热力学不可逆过程。磁数据显示出具有弱铁磁相互作用的顺磁行为。此外,所有的拉曼和红外活性波段都是根据基于密度泛函理论 (DFT) 的计算计算分配的,以分析分子内振动模式。此外,还对结直肠癌细胞进行了细胞毒试验,以评估这种三元化合物的抗肿瘤活性。因此,证实了[Cu(1,10-菲咯啉)(甘氨酸)Cl]•3H 2 O复合物在HCT-116细胞中的抗肿瘤活性,显示出强效的细胞毒作用。