Nitric oxide functionalized molybdenum(0) pyrazolone Schiff base complexes: thermal and biochemical study†,RSC Advances

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Nitric oxide functionalized molybdenum(0) pyrazolone Schiff base complexes: thermal and biochemical study†
RSC Advances ( IF 3.9 ) Pub Date : 2018-10-16 00:00:00 , DOI: 10.1039/c8ra05956j
Jan Mohammad Mir ₁ , Ram Charitra Maurya ₁

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This work describes the synthesis and characterization of three molybdenum dinitrosyl Schiff base complexes of the general formula [Mo(NO)₂(L)(OH)], where L is N-(dehydroacetic acid)-4-aminoantipyrene (dha-aapH), N-(4-acetylidene-3-methyl-1-phenyl-2-pyrazolin-5-one)-4-aminoantipyrine (amphp-aapH) or N-(3-methyl-1-phenyl-4-propionylidene-2-pyrazolin-5-one)-4-aminoantipyrine (mphpp-aapH). The complexes were formulated on the basis of spectroscopic analyses, elemental composition, magnetic susceptibility measurements, molar conductance behaviour and determination of the respective decomposition temperatures. A comparative experimental-theoretical approach was followed to elucidate the structure of the complexes. Fourier transform infra-red (FT-IR) spectroscopy, thermo-gravimetry (TG) and electronic spectral insights were mainly focused on the confirmation of the formation of the complexes. The computational density functional theory (DFT) calculations evaluated in the study involve the molecular specification for the use of LANL2DZ/RB3LYP formalism for metal atoms and 6-311G/RB3LYP for the remaining non-metal atoms. The study reveals a suitable cis-octahedral geometry for the complexes. The TG curve of one of the representative complexes was evaluated to find the respective thermodynamic and kinetic parameters using various physical methods. The Freeman & Carroll (FC) differential method, the Horowitz and Metzger (HM) approximation method, the Coats–Redfern method and the Broido method were employed to present a comparative thermal analysis of the complex. The Broido method proved the best fit to the results for the compound under question. In addition to structural and thermal analyses, the study also deals with the in vitro antimicrobial and anticancer sensitivity of the complexes. The results revealed potent biological properties of the representative complex containing dha-aapH. Cell toxicity tests against COLO-205 human cancer cell line using a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) assay showed an IC₅₀ value of 53.13 μgm mL⁻¹ for the Schiff base and 10.51 μgm L⁻¹ for the respective complex. Similarly the same complex proved to be an effective antimicrobial agent against Aspergillus, Pseudomonas, E. coli and Streptococcus. The results indicated a more pronounced activity against Pseudomonas and Streptococcus than the other two microbial species.

中文翻译：

一氧化氮功能化钼 (0) 吡唑啉酮席夫碱配合物：热和生化研究†

这项工作描述了通式 [Mo(NO) ₂ (L)(OH)] 的三种钼二亚硝基席夫碱配合物的合成和表征，其中 L 是N- (脱氢乙酸)-4-氨基安替芘 (dha-aapH) , N -(4-乙炔-3-甲基-1-苯基-2-吡唑啉-5-one)-4-氨基安替比林 (amphp-aapH) 或N-(3-methyl-1-phenyl-4-propionylidene-2-pyrazolin-5-one)-4-氨基安替比林 (mphpp-aapH)。基于光谱分析、元素组成、磁化率测量、摩尔电导行为和各自分解温度的测定来配制配合物。遵循比较实验-理论方法来阐明配合物的结构。傅里叶变换红外 (FT-IR) 光谱、热重 (TG) 和电子光谱分析主要集中在确认复合物的形成。研究中评估的计算密度泛函理论 (DFT) 计算涉及对金属原子使用 LANL2DZ/RB3LYP 形式和对其余非金属原子使用 6-311G/RB3LYP 的分子规范。该研究揭示了一种合适的配合物的顺式八面体几何形状。使用各种物理方法评估其中一种代表性配合物的 TG 曲线以找到各自的热力学和动力学参数。采用 Freeman & Carroll (FC) 微分法、Horowitz 和 Metzger (HM) 近似法、Coats-Redfern 法和 Broido 法对配合物进行比较热分析。Broido 方法被证明最适合所讨论的化合物的结果。除了结构和热分析外，该研究还涉及体外复合物的抗菌和抗癌敏感性。结果揭示了含有 dha-aapH 的代表性复合物的有效生物学特性。使用 3-(4,5-二甲基噻唑-2-基)-2,5-二苯基-2 H-溴化四唑 (MTT) 测定法对 COLO-205 人癌细胞系进行的细胞毒性测试显示 IC ₅₀值为 53.13 μgm席夫碱的mL ^-1和相应复合物的10.51 μgm L ^-1。同样，同样的复合物也被证明是一种有效的抗曲霉、假单胞菌、大肠杆菌和链球菌的抗菌剂。结果表明对假单胞菌的活性更为显着和链球菌比其他两种微生物物种。

更新日期：2018-10-16

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