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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
Mon Dec 05 2022
Journal Name
Baghdad Science Journal
Heavy Metal Complexes of 1, 2, 3-Triazole derivative: Synthesis, Characterization, and Cytotoxicity Appraisal Against Breast Cancer Cell Lines (MDA-MB-231)
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     New chelating ligand derived from triazole and its complexes with metal ions Rhodium, Platinum and Gold were synthesized. Through a copper (I)-catalyzed click reaction, the ligand produced 1,3-dipolar cycloaddition between 2,6-bis((prop-2-yn-1-yloxy) methyl) pyridine and 1-azidododecane. All structures of these new compounds were rigorously characterized in the solid state using spectroscopic techniques like: 1HNMR, 13CNMR, Uv-Vis, FTIR, metal and elemental analyses, magnetic susceptibility and conductivity measurements at room temperature, it was found that the ligand acts as a penta and tetradentate chelate through N3O2, N2O2, and the geometry of the new complexes are identified as octahedral for (Rh & Pt) complexes a

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Publication Date
Mon Dec 05 2022
Journal Name
Baghdad Science Journal
Heavy Metal Complexes of 1, 2, 3-Triazole derivative: Synthesis, Characterization, and Cytotoxicity Appraisal Against Breast Cancer Cell Lines (MDA-MB-231)
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     New chelating ligand derived from triazole and its complexes with metal ions Rhodium, Platinum and Gold were synthesized. Through a copper (I)-catalyzed click reaction, the ligand produced 1,3-dipolar cycloaddition between 2,6-bis((prop-2-yn-1-yloxy) methyl) pyridine and 1-azidododecane. All structures of these new compounds were rigorously characterized in the solid state using spectroscopic techniques like: 1HNMR, 13CNMR, Uv-Vis, FTIR, metal and elemental analyses, magnetic susceptibility and conductivity measurements at room temperature, it was found that the ligand acts as a penta and tetradentate chelate through N3O2, N2O2, and the geometry of the new complex

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Publication Date
Thu Aug 01 2019
Journal Name
The Journal Of Solid Waste Technology And Management
Recycling of Waste Compact Discs in Concrete Mix: Lab Investigations and Artificial Neural Networks Modeling
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This study aimed to investigate the incorporation of recycled waste compact discs (WCDs) powder in concrete mixes to replace the fine aggregate by 5%, 10%, 15% and 20%. Compared to the reference concrete mix, results revealed that using WCDs powder in concrete mixes improved the workability and the dry density. The results demonstrated that the compressive, flexural, and split tensile strengths values for the WCDs-modified concrete mixes showed tendency to increase above the reference mix. However, at 28 days curing age, the strengths values for WCDs-modified concrete mixes were comparable to those for the reference mix. The leaching test revealed that none of the WCDs constituents was detected in the leachant after 180 days. The

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Publication Date
Fri Nov 01 2019
Journal Name
Civil Engineering Journal
Experimental and Numerical Investigations of Composite Concrete–Steel Plate Shear Walls Subjected to Axial Load
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This research is presented experimental and numerical investigations of composite concrete-steel plate shear walls under axial loads to predicate the effect of both concrete compressive strength and aspect ratio of the wall on the axial capacity, lateral displacement and axial shortening of the walls. The experimental program includes casting and testing two groups of walls with various aspect ratios. The first group with aspect ratio H/L=1.667 and the second group with aspect ratio H/L=2. Each group consists of three composite concrete -steel plate wall with three targets of cube compressive strength of values 39, 54.75 and 63.3 MPa. The tests result obtained that the increase in concrete compressive strength results in increasing

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Publication Date
Sun Jan 01 2023
Journal Name
The Egyptian Journal Of Hospital Medicine
Effect of Radioactive Iodine Therapy on Interleukin-2 (IL-2), IL-17 and Physiological Parameters in Iraqi Patients with Graves’ Disease
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Publication Date
Wed Jan 25 2023
Journal Name
Journal Of Umm Al-qura University For Applied Sciences
Investigating CO2 storage properties of Pd(II) and Co(II) chelates of a Schiff's base ligand
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Abstract<p>A new metal complexes are made from the ligands derived from amoxicillin based Schiff's base coordinated with Pd(II) and Co(II) have been synthesized and characterized via different spectroscopic methods. FT-IR spectroscopy have shown a formation of tetrahedral and square planar geometry for Co(II) and Pd(II) complexes, respectively. Surface morphology was inspected via field emission scanning electron microscopy (FESEM) and atomic force microscopy (AFM). The Brunauer–Emmett–Teller surface area of the metal complexes samples is about 6.63 to 8.71 m<sup>2</sup>/g, with pore diameters and volume of 0.030–0.0501 cm<sup>3</sup>/g and 18.39–22.98 nm, respectively. The quadrupo</p> ... Show More
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Publication Date
Fri Aug 18 2023
Journal Name
Medicinal Chemistry Research
New tolfenamic acid derivatives with hydrazine-1-carbothioamide and 1,3,4-oxadiazole moieties targeting VEGFR: synthesis, in silico studies, and in vitro anticancer assessment
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Publication Date
Fri May 03 2019
Journal Name
Photonics
Design Investigation of 4 × 4 Nonblocking Hybrid Plasmonic Electrooptic Switch
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This paper proposes a compact, plasmonic-based 4 × 4 nonblocking switch for optical networks. This device uses six 2 × 2 plasmonic Mach-Zehnder switch (MZS), whose arm waveguide is supported by a JRD1 polymer layer as a high electro-optic coefficient material. The 4 × 4 switch is designed in COMSOL environment for 1550 nm wavelength operation. The performance of the proposed switch outperforms those of conventional (nonplasmonic) counterparts. The designed switch yields a compact structure ( 500 × 70   µ m 2 ) having V π L = 12   V · µ m , 1.5 THz optical bandwidth, 7.7 dB insertion loss, and −26.5 dB crosstalk. The capability of the switch to route 8 × 40 Gbps WDM signal is demonstrated successfully.

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Publication Date
Wed Feb 01 2023
Journal Name
Journal Of Medicinal And Chemical Sciences
Highly Thermally Stable and Biologically Active Compounds Prepared To Be Polymer Stabilizers Consisting Of a Schiff Base and Its Complexes Derived From 2-Hydroxynaphthaldehyde
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Antibiotic resistance has been a growing worldwide public health issue. The World Health Organization (WHO) has stated that the search for new antibiotics is slow, while antibiotic resistance is growing. WHO has also declared that antibiotic resistance is one of the top 10 global public health threats facing humanity in the 21st century. Therefore, this review discusses the potential of metal-based drugs as antibacterial agents from the period of the early 2000s to date. The review reveals that a lot of preliminary work has been done to assess these as potential drugs. However, their mode of action is faintly described. Furthermore, a few examples of metal-based drugs assessed for their modes of action are described. These compounds are ide

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Publication Date
Sun Jan 01 2023
Journal Name
The Egyptian Journal Of Hospital Medicine
Effect of Good Hygiene Practices on E. coli O157:H7 Contamination in Some Al-‎Karkh Area Restaurants, Baghdad, Iraq
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