Phosphatase Mimicking Activity of Two Zinc(II) Schiff Base Complexes with Zn2O2Cores: NBO Analysis and MEP Calculation to Estimate Non-Covalent Interactions

被引：40
|
作者：
Basak, Tanmoy [1 ]
Bhattacharyya, Anik [1 ]
Das, Mithun [1 ]
Harms, Klaus [2 ]
Bauza, Antonio [3 ]
Frontera, Antonio [3 ]
Chattopadhyay, Shouvik [1 ]
机构：
[1] Jadavpur Univ, Inorgan Sect, Dept Chem, Kolkata 700032, India
[2] Philipps Univ Marburg, Fachbereich Chem, Hans Meerwein Str, D-35032 Marburg, Germany
[3] Univ Illes Balears, Dept Quim, Crta De Valldemossa Km 7-5, Palma De Mallorca 07122, Baleares, Spain
来源：
CHEMISTRYSELECT | 2017年 / 2卷 / 22期
关键词：
DFT study; non-covalent interactions; Phosphatase like activity; Schiff base; Zinc(II); INTERMOLECULAR INTERACTIONS; MOLECULAR ARCHITECTURES; CADMIUM(II) COMPLEXES; BIOLOGICAL-SYSTEMS; COORDINATION; FLUORESCENCE; CHEMOSENSOR; LIGANDS; BOND; RECOGNITION;
D O I：
10.1002/slct.201701246
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Two zinc(II) complexes, [Zn-2(L-1)(2)(N-3)(2)] (1) (HL1= [2-((2-(dimethylamino)ethylimino)methyl)phenol] and [Zn-2(L-2)(2)(NCO)(2)] (2) (HL2= [1-(1-(2-(dimethylamino)ethylimino)ethyl)naphthalen-2-ol] have been synthesized and characterized by X-ray crystallography. Density functional theory (DFT) calculations have been employed to estimate the contribution of various non-covalent interactions in the formation of self assembly using several theoretical models. Excellent phosphatase mimicking activities {k(cat) =135h(-1) (for 1) and 190h(-1) (for 2) at 298K} on disodium 4-nitrophenylphosphate hexahydrate substrate have been exhibited by both complexes. The phosphatase mimicking activity has been evaluated by monitoring the increase in absorbance at 427nm (spectrophotometrically) indicating gradual release of p-nitrophenolate by the hydrolysis of 4-nitrophenylphosphate ester with time.
引用
收藏
页码：6286 / 6295
页数：10
相关论文
共 29 条
  • [1] Syntheses and non-covalent interactions of naphthalene-bearing Schiff base complexes of Zn(II), Co(III), Cu(II) and V(IV): Selective detection of Zn(II)
    Naskar, Barnali
    Modak, Ritwik
    Maiti, Dilip K.
    Mandal, Sushil Kumar
    Biswas, Jayanta Kumar
    Mondal, Tapan Kumar
    Goswami, Sanchita
    POLYHEDRON, 2016, 117 : 834 - 846
  • [2] Suitable Interplay between Various Conventional and Unconventional Non-Covalent Interactions in Forming Self-Assembled Supramolecules of Two Ni(II)/Zn(II) Schiff Base Complexes
    Roy, Sourav
    Drew, Michael. G. B.
    Frontera, Antonio
    Chattopadhyay, Shouvik
    CHEMISTRYSELECT, 2017, 2 (26): : 7880 - 7887
  • [3] Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)-M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand
    Das, Lakshmi Kanta
    Bhunia, Pradip
    Gomila, Rosa M.
    Frontera, Antonio
    Ghosh, Ashutosh
    CRYSTENGCOMM, 2023, 25 (09) : 1393 - 1402
  • [4] Spectral Analysis of Cu(I), Zn(II) Complexes of Schiff Base and Their Dismutation to O2- Free Radical
    Xian Jing-chun
    SPECTROSCOPY AND SPECTRAL ANALYSIS, 2010, 30 (03) : 725 - 728
  • [5] Synthesis, characterization, DFT, non-covalent interactions and antioxidant activity of N2O2-type template complexes of Zn(II)-derived from 5-ethoxy-2-hydroxy-acetophenone-S-methylthiosemicarbazone
    Poladian, Qumars
    Ilhan-Ceylan, Berat
    Bolukbasi, Olcay
    Kurt, Yasemin
    JOURNAL OF COORDINATION CHEMISTRY, 2023, 76 (9-10) : 1281 - 1294
  • [6] Synthetic and structural investigations of Cd(II) complexes of tetradentate pyrimidine based Schiff base ligand: Insight through non covalent interactions, TDDFT calculation and Hirshfeld surface analysis
    Konar, Saugata
    Datta, Samir Kanti
    Dolai, Malay
    Das, Amit
    Pathak, Sudipta
    Chatterjee, Sudipta
    Das, Kinsuk
    JOURNAL OF MOLECULAR STRUCTURE, 2019, 1178 : 682 - 691
  • [7] Construction of two Zn(II) complexes based on the oxime-containing Schiff base ligand with NO and N2O donor sets
    Hong, Xu-Jia
    Zhan, Qing-Guang
    Huang, Zhuang-Peng
    Du, Yuan-Qi
    Wei, Lei-Ming
    Li, Teng
    Zheng, Zhi-Peng
    Cai, Yue-Peng
    INORGANIC CHEMISTRY COMMUNICATIONS, 2014, 44 : 53 - 57
  • [8] Non-covalent interactions in molecular architectures and solvent-free catalytic activity towards CO2 fixation of mononuclear Co(<sc>iii</sc>) complexes installed on modified Schiff base ligands
    Barman, Souvik
    Das, Dhiraj
    Pal, Kuntal
    DALTON TRANSACTIONS, 2024, 53 (12) : 5632 - 5647
  • [9] Formation of a water-mediated assembly of two neutral copper(II) Schiff base fragments with a Cu2(NCS)4 moiety: exploration of non-covalent C-H•••π(bimetallo ring) interactions
    Roy, Sourav
    Drew, Michael G. B.
    Bauza, Antonio
    Frontera, Antonio
    Chattopadhyay, Shouvik
    CRYSTENGCOMM, 2018, 20 (12): : 1679 - 1689
  • [10] An insight into the non-covalent Cl•••Cl interaction in the solid state structure of carboxylate bridged trinuclear mixed valence cobalt(III/II/III) complexes with tetradentate N2O2 donor reduced Schiff base ligands
    Bhunia, Sudip
    Jana, Subrata
    Gomila, Rosa M.
    Drew, Michael G. B.
    Frontera, Antonio
    Chattopadhyay, Shouvik
    POLYHEDRON, 2024, 255
123