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Mixed-ligand complexes of ampicillin derived Schiffbase ligand and Nicotinamide: Synthesis, physico-chemical studies, DFT calculation, antibacterial study and molecular docking analysis
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A novel series of mixed-ligand complexes of the type, [ML 1 (L 2 ) 3 ]Cl x [M = Cr(III), Fe(III), Co(II),Ni(II), Cu(II), Cd(II) and Hg(II), n = 2, 3], was synthesized using Schiffbase (HL 1 ) as main ligand, nicotinamide (L 2 ) as secondary ligand, and the corresponding metal ions in 1:3:1 molar ratio. The main ligand, HL 1 was prepared by the interaction of ampicillin drug and 4-chlorobenzophenone. The synthesized mixed ligand complexes were characterized by elemental analysis, UV-Vis, FT-IR, 1 H-NMR, 13 C-NMR and TG/DTG studies. In the mixed-ligand complexes, the Schiffbase ligand, HL 1 showed coordination to the central metal ion in tridentate manner via azomethine nitrogen, β-lactam ring oxygen and deprotonated carboxylic oxy- gen atoms, whereas the secondary ligand L 2 (nicotinamide, Nam) coordinated through pyridine nitrogen atoms. The synthesized complexes exhibited significant antimicrobial activity when evaluated against P. pseudomonas, E. coli, S. aureus and B. subtilis microbes. The DFT calculations were also carried out to as- certain the bonding insights into the structure. In addition, molecular docking analysis was performed carried out to know the interactions between complexes and their probable binding sites in penicillin binding protein (PBP2). Moreover, drug-likeness and toxicity of the compounds were also performed to predict the suitability of the complexes as drugs.

Publication Date
Sat Jan 01 2022
Journal Name
Journal Of The Mechanical Behavior Of Materials
Residual strength and strengthening capacity of reinforced concrete columns subjected to fire exposure by numerical analysis
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Abstract<p>This study is a numerical investigation of the performance of reinforced concrete (RC) columns after fire exposure. This study aims to investigate the effect of introducing lateral ties and using the RC jacket on improving post-fire behavior of these columns, the effect of the duration of the fire on ultimate load of columns. The analysis was performed through ABAQUS, a 3D – non-linear finite element program. 4 m tall lengthening square RC column with a cross- section of 0.4 m × 0.4 m was used as a test specimen. The RC column was reinforced by 4Ø28 mm longitudinal bars bonded by steel tie bars of Ø10 mm spaced at 400 mm. The firing temperature was increased to 60</p> ... Show More
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Publication Date
Fri May 03 2024
Journal Name
Optical And Quantum Electronics
Design and analysis of a dual-core PCF biosensor based on SPR for cancerous cells detection
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Publication Date
Mon Jan 01 2024
Journal Name
Optical Materials
Design and analysis of a high sensitivity open microchannel PCF-based surface plasmon resonance refractometric sensor
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Publication Date
Sun Feb 28 2021
Journal Name
Iraqi Geological Journal
Facies Analysis and Depositional Stages of The Albian-Aptian Succession in Balad Oil Field, Central Iraq
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Carbonate-clastic succession which includes the Shu'aiba, Nahr Umr and Mauddud formations are representing a part of the Barremian-Aptian Sequence (Wasi'a Group). The present study includes three boreholes (Ba-1, 4 and 8) within the Balad Oil Field. The study area is located in central Iraq. This field represents a subsurface anticline with a northwest to southeast direction axis within the Mesopotamian Zone. Eight types of microfacies were recognized in the succession of the Mauddud and Shu’aiba formations. These microfacies represent shallow open marine, restricted and semi-restricted, reef - back reef, deep open marine and basinal depositional environments. While Nahr Umr Formation includes two successions, the first is the upp

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Publication Date
Tue Sep 30 2025
Journal Name
Analytical Methods In Environmental Chemistry Journal
Analysis and the determination of prednisolone in pharmaceutical products by a high-performance liquid chromatography method
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Prednisolone is essential because it is a potent corticosteroid medication with anti-inflammatory and immunosuppressive effects, widely used in both human and veterinary medicine. Therefore, accurate measurement is crucial for determining the correct human dose. A fast and high-performance liquid chromatography (HPLC) method was developed to determine prednisolone in both its pure form and pharmaceutical products. HPLC consists of a 4.6 mm x 250 mm column (C18 packed with 5µm particles), with the mobile phase being (CH3OH: H2O) in a ratio of 58:42 v/v and a flow rate of 1 mL per minute, using an automatic injector (20 µL). The detection was performed at 254 nm with a UV detector. Detection of UV and Flow rate was obtained at 240–254 nm

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Publication Date
Tue May 01 2018
Journal Name
Chemical Engineering And Processing - Process Intensification
Studies of mass transfer at a spiral-wound woven wire mesh rotating cylinder electrode
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Mass transfer has been studied at rotating cylinder electrodes fabricated with spiral-wound woven-wire meshes using reduction of copper as a test reaction. The experimental data were correlated by an empirical expression between the Sherwood number and the Reynolds number, both regarding the hydraulic diameter as a characteristic length. It was found that the Sherwood number was dependent upon the Reynolds number to the power of 0.521. An enhancement factor was adopted to compare the efficiency of the new rotating cylinder electrode with previous three-dimensional rotating cylinder electrodes. The results showed that the new type has a mass-transfer enhancement factor 2.3 times higher than those obtained with smooth rotating cylinder electr

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Publication Date
Tue May 01 2018
Journal Name
Chemical Engineering And Processing - Process Intensification
Studies of mass transfer at a spiral-wound woven wire mesh rotating cylinder electrode
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Publication Date
Fri Nov 01 2019
Journal Name
Journal Of Physics: Conference Series
The Bifurcation analysis of Prey-Predator Model in The Presence of Stage Structured with Harvesting and Toxicity
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Abstract<p>For a mathematical model the local bifurcation like pitchfork, transcritical and saddle node occurrence condition is defined in this paper. With the existing of toxicity and harvesting in predator and prey it consist of stage-structured. Near the positive equilibrium point of mathematical model on the Hopf bifurcation with particular emphasis it established. Near the equilibrium point E<sub>0</sub> the transcritical bifurcation occurs it is described with analysis. And it shown that at equilibrium points E<sub>1</sub> and E<sub>2</sub> happened the occurrence of saddle-node bifurcation. At each point the pitch fork bifurcation occurrence is not happened. </p> ... Show More
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Publication Date
Mon May 01 2023
Journal Name
Complementary Therapies In Medicine
Effects of almond intake on oxidative stress parameters: A systematic review and meta-analysis of clinical trials
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Publication Date
Sat Dec 11 2021
Journal Name
Engineering, Technology & Applied Science Research
Experimental and Numerical Analysis of the Punching Shear Resistance Strengthening of Concrete Flat Plates by Steel Collars
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In this study, six square reinforced concrete flat plates with dimensions of (1500×1500×100) mm were tested under a concentrated load applied on a column located at the center of the slabs. One of these slabs was the control specimen, whereas, in the others, steel angles (steel collars) were used, fixed at the connection region between the slab and the column to investigate the effect of the presence of these collars on punching shear strength. Five thicknesses were used (4, 5, 6, 8, 10mm) with constant legs of angles (75×75) mm of the steel collars to investigate the effects on the punching shear resistance with respect to the control slab. The results of the experimental study show that the punching shear resistance increased b

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