Phosphatase-like activity of a newly synthesized and structurally characterized Zn(II) complex [ZnII2(L)(NCS)2] [LH2 = a Schiff base] in water and DMSO-water solvent systems

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta Pub Date : 2024-11-07 DOI:10.1016/j.ica.2024.122436

Indrani Ray Chowdhury , Saikat Samanta , Sakshi , Angshuman Roy Choudhury , Rajarshi Ghosh

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Abstract

Synthesis and single crystal X-ray diffraction characterization of a Zn(II) compound [Zn₂(L)(NCS)₂] (1) [H₂L = 6,6′-((propane-1,3-diylbis(azaneylylidene))bis(methaneyl-ylidene))bis(2-methoxyphenol)] has been reported. The two Zn(II) centres in 1 separately have distorted square pyramidal and distorted trigonal bipyramidal geometries. On employing 1 with the model substrate disodium salt of 4-nitrophenylphosphate (4-NPP), the title compound is found to show phosphatase-like activity in water and 95% (v/v) DMSO-water solvent systems. The reactions were monitored spectrophotometrically. Increase in absorption intensity separately at 405 nm (water) and 419 nm (DMSO-water) indicates the catalytic dissociation of NPP to 4-nitrophenol. Kinetic measurements revealed the K_cat (s⁻¹) as 4.92 × 10⁻² and 10.69 × 10⁻², respectively in water and 95% (v/v) DMSO-water system. The proposed reaction mechanism of the phosphatase-like reaction was supported by Density Functional Theory (DFT) calculations. The reaction-intermediate of the catalytic reaction was trapped by High Resolution Mass Spectrometry (HRMS).

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一种新合成并具有结构特征的 Zn(II) 复合物 [ZnII2(L)(NCS)2] [LH2 = 席夫碱] 在水和二甲基亚砜-水溶剂体系中的类似磷酸酶的活性

据报道，一种 Zn(II) 化合物 [Zn2(L)(NCS)2] (1) [H2L = 6,6′-((propane-1,3-diylbis(azaneylylidene))bis(methaneyl-ylidene))bis(2-methoxyphenol)] 的合成和单晶 X 射线衍射表征已经完成。1 中的两个 Zn(II) 中心分别具有畸变正方金字塔和畸变三叉双金字塔几何结构。将 1 与模型底物 4-硝基苯磷酸（4-NPP）二钠盐一起使用时，发现标题化合物在水和 95% (v/v) DMSO-水溶剂体系中显示出类似磷酸酶的活性。反应采用分光光度法进行监测。在 405 nm（水）和 419 nm（二甲基亚砜-水）波长处的吸收强度分别增加，表明催化 NPP 分解为 4-硝基苯酚。动力学测量显示，在水和 95% (v/v) 二甲基亚砜-水体系中的 Kcat (s-1) 分别为 4.92 × 10-2 和 10.69 × 10-2。密度泛函理论（DFT）计算支持了所提出的类似磷酸酶的反应机理。高分辨质谱法（HRMS）捕获了催化反应的反应中间体。

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来源期刊

Inorganica Chimica Acta 化学-无机化学与核化学

CiteScore

6.00

自引率

3.60%

发文量

440

审稿时长

35 days

期刊介绍： Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews. Topics covered include: • chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies; • synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs); • reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models; • applications of inorganic compounds, metallodrugs and molecule-based materials. Papers composed primarily of structural reports will typically not be considered for publication.