Synthesis, spectral, DFT modeling, cytotoxicity and microbial studies of novel Zr(IV), Ce(IV) and U(VI) piroxicam complexes.
Synthesis, spectral, DFT modeling, cytotoxicity and microbial studies of novel Zr(IV), Ce(IV) and U(VI) piroxicam complexes.
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DOI：
10.1016/j.saa.2018.03.074
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发表时间：
2018-06
期刊：
影响因子：
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通讯作者：
W. H. El-Shwiniy;W. Zordok
中科院分区：
文献类型：
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作者：
W. H. El-Shwiniy;W. Zordok
用元素分析、电导、红外光谱、紫外可见光谱、磁矩、核磁共振和热分析等手段对吡罗昔康的抗炎药物配合物进行了表征。用摩尔比法测得所有络合物中金属与PIR的比例为1：2。电导数据表明，除Ce(IV)络合物为电解液外，Zr(IV)和U(VI)络合物均为非电解质。红外光谱证实，PIR是通过ν(C双键)碳空间ν(C双键N)吡啶的氧原子和氮原子与金属离子配位的双齿配体。用Coats-Redfern方程和Horowitz-Metzger方程计算了PIR和络合物的热重及其微分动力学参数，如活化能、活化熵、活化焓和吉布斯自由能。吡罗昔康药物在自由态的几何构型与在金属络合物中的构型有很大的不同。在金属离子-药物键形成过程中，药物从封闭结构(平衡几何构型)切换到开放结构。对某些类型的细菌和真菌进行了抗菌试验。以Pir对结肠癌(HCT-116)细胞株为对照，测定了它们的体外细胞毒作用。
The Zr(IV), Ce(IV) and U(VI) piroxicam anti-inflammatory drug complexes were prepared and characterized using elemental analyses, conductance, IR, UV–Vis, magnetic moment,IHNMR and thermal analysis. The ratio of metal: Pir is found to be 1:2 in all complexes estimated by using molar ratio method. The conductance data reveal that Zr(IV) and U(VI) chelates are non-electrolytes except Ce(IV) complex is electrolyte. Infrared spectroscopic confirm that the Pir behaves as a bidentate ligand co-ordinated to the metal ions via the oxygen and nitrogen atoms ofν(Cdouble bondO)carbonylandν(Cdouble bondN)pyridyl, respectively. The kinetic parameters of thermogravimetric and its differential, such as activation energy, entropy of activation, enthalpy of activation, and Gibbs free energy evaluated using Coats-Redfern and Horowitz-Metzger equations for Pir and complexes. The geometry of the piroxicam drug in the Free State differs significantly from that in the metal complex. In the time of metal ion–drug bond formation the drug switches-on from the closed structure (equilibrium geometry) to the open one. The antimicrobial tests were assessed towards some types of bacteria and fungi. The in vitro cell cytotoxicity of the complexes in comparison with Pir against colon carcinoma (HCT-116) cell line was measured.