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DFT, anticancer, antioxidant and molecular docking investigations of some ternary Ni(II) complexes with 2‑[(E)‑[4‑(dimethylamino) phenyl]methyleneamino]phenol
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The biological activities of some ternary nickel complexes with a Schiff base obtained from 4-dimethylaminobenzaldehyde and 2-aminophenol have been reported. The Schiff base ( HL1) acts as a primary ligand whereas, anthranilic acid ( HL2), 2-nitroaniline ( HL3), alanine ( HL4) and histidine ( HL5) act as secondary ligand or co-ligand. The anticancer activity of these compounds was studied against human colon carcinoma (HCT-116), human hepatocellular liver carcinoma (HEPG-2) and human breast carcinoma (MCF-7) cell lines. As per the results, the compounds were active against the cell lines. The antioxidant activity of the same compounds was evaluated using DPPH (1,1-diphenyl-2-picryl-hydrazyl) radical scavenging and compared with ascorbic acid. The DFT computations for these compounds were made to understand the bonding mode by a GAUSSIAN 09 program. Moreover, a docking analysis using Autodock 4.2 software package was carried out against the tyrosine kinase receptor (PDB ID: 1M17). In addition, QSAR investigation was also performed to understand the biological potency of the ligand.

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
synthesis and study of some mixed ligand complexes of caffeine
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I've been in this research preparation and diagnostic complexes mixed Kandat of Alcavaúan Alpiculan ion Althaaossianat with some metal ions has been reactive in ethanol solvent and distilled water by (1:1) and water complexes and lotions to the accounts of the metal in the complex

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Publication Date
Wed Apr 01 2020
Journal Name
Indian Journal Of Public Health
Green and Efficient Composition and Diagnosis of Pentdentate Schiff Base Donative Metal Complexes: Antimicrobial, Antifungal, Antioxidant Screening and DNA Binding
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Background: Enforcement of sustainable and green chemistry protocols has seen colossal surge in recent times, the development of an effective, eco-friendly, simple and novel methodologies towards the synthesis of valuable synthetic scaffolds and drug intermediates. Recent advances in technology have now a more efficient means of heating reactions that made microwave energy. Efforts to synthesize novel heterocyclic molecules of biological importance are in continuation. Microwave irradiation is well known to promote the synthesis of a variety of organic and inorganic compounds. The aim of current study was to conceivea mild base mediated preparation of novel Schiff base of 2-Acetylpheno with trimethoprim drug (H2TPBD) and its complexes w

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Publication Date
Sat Aug 31 2019
Journal Name
Iraqi Journal Of Physics
Nuclear Structure Investigation of Some Ni-Isotopes Using Skyrme-Hartree-Fock Method
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     The nuclear ground-state structure of some Nickel (58-66Ni) isotopes has been investigated within the framework of the mean field approach using the self-consist Hartree-Fock calculations (HF) including the effective interactions of Skyrme. The Skyrme parameterizations SKM, SKM*, SI, SIII, SKO, SKE, SLY4, SKxs15, SKxs20 and SKxs25 have been utilized with HF method to study the nuclear ground state charge, mass, neutron and proton densities with the corresponding root mean square radii, charge form factors, binding energies and neutron skin thickness. The deduced results led to specifying one set or more of Skyrme parameterizations that used to achieve the best agreement with the available experimental

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Publication Date
Wed Jan 01 2020
Journal Name
International Journal Of Pharmaceutical Research
Synthesis, characterization and bioactivity study of mixed-lig and complexes with some metal ions for new dithiocarbamate,3-aminophenol
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Publication Date
Sun May 23 2010
Journal Name
Ibn Al- Haitham J. Fo R Pure & Appl. Sc I
Synthesis, Spectroscopic and Dyeing Performance Studies of Some New Heterocyclic Azo Dyes and Their Complexes with Selected Metal Ions
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Coupling reaction of m-and p- amino acetop henone and p-amino benzoic acid with (LHistidine) gave the new bidentate azo ligands (L1, L2 and L3). The prepared ligands were identified by FT-IR, UV-Vis, 1HNMR and GC- mass sp ectroscopic technique. Treatment of the prepared ligands with the following metal ions (CoII, NiII, CuII, ZnII, CdII and HgII) in aqueous ethanol with a 1:2 M:L ratio and at optimum pH, yielded a series of neutral complexes of the general formula [M (L)2 Cl2]. The prepared complexes were characterized by using flame atomic absorption, FT-IR, UV-Vis and 1HNMR spectroscopic methods as well as magnetic susceptibility and conductivity measurements. Chloride ion content was also evaluated by (Mohr method). The nature of the com

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Publication Date
Mon Feb 13 2023
Journal Name
Aip Conference Proceedings
composition,depiction,antibacterial,antioxidant,and cytotoxicity activities studies of a new nano-sized binuclear metal(||) schiff base complexes
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composition,depiction,antibacterial,antioxidant,and cytotoxicity activities studies of a new nano-sized binuclear metal(||) schiff base complexes

Publication Date
Mon Jan 01 2018
Journal Name
Journal Of Global Pharma Technology
Estimation of Some Trace Elements and Antioxidant Status in Breast Cancer Patients Undergoing Radiotherapy
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Breast cancer (BC) is the most prevalent tract cancer in the world, including Iraq. The classified breast tumors to benign, malignant, and radiotherapy. Cancer treatment depends on certain stages such as mastectomy then chemotherapy alone or with radiation therapy or endocrine therapy according to the prognostic features obtained from the pathology report. The present study included 100 females. The women were split into two groups, control group that consisted of 50 apparently healthy females and 50 patients with BC group who undergo the radiotherapy. The current study highlighted on some of the anthropometric measurements, including the oxidative stress index malondialdehyde (MDA), the concentrations of total antioxidant capacity (TAC), s

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Publication Date
Sat Oct 06 2018
Journal Name
Journal Of Global Pharma Technology
Estimation of Some Trace Elements and Antioxidant Status in Breast Cancer Patients Undergoing Radiotherapy
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Breast cancer (BC) is the most prevalent tract cancer in the world, including Iraq. The classified breast tumors to benign, malignant, and radiotherapy. Cancer treatment depends on certain stages such as mastectomy then chemotherapy alone or with radiation therapy or endocrine therapy according to the prognostic features obtained from the pathology report. The present study included 100 females. The women were split into two groups, control group that consisted of 50 apparently healthy females and 50 patients with BC group who undergo the radiotherapy. The current study highlighted on some of the anthropometric measurements, including the oxidative stress index malondialdehyde (MDA), the concentrations of total antioxidant capacity (TAC), s

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Scopus
Publication Date
Mon Jun 01 2026
Journal Name
Biochemistry (moscow), Supplement Series B: Biomedical Chemistry
Association between Serum Metallothionein 2, Metallothionein 4, and Other Biochemical Aspects in Iraqi Infertile Women
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Women infertility is a common reproductive system disorder. Diagnosis and treatment are characterized by limited availability and high costs. This paper intends to evaluate the levels of endogenous antioxidant proteins metallothionein 2 (MT2) and metallothionein 4 (MT4) in the serum of both infertile and fertile women, as well as to assess the association between these proteins and total oxidant capacity (TOC), total antioxidant capacity (TAC), oxidative stress index (OSI), serum anti-Müllerian hormone (AMH), and serum testosterone. This case-control study involved one hundred eighty Iraqi women, categorized into three categories: primary infertile women (P group), secondary infertile women (S group), and healthy fertile women (C group). W

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Publication Date
Tue Nov 30 2021
Journal Name
Journal Of The Indonesian Mathematical Society
e*-Hollow-Lifting and Cofinitely e*-Lifting Modules
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