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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
Wed Aug 28 2024
Journal Name
Mathematical Modelling Of Engineering Problems
Structural and Stress Analysis of NACA0012 Wing Using SolidWorks
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Publication Date
Mon Feb 04 2019
Journal Name
Journal Of The College Of Education For Women
Harold pinter and Iraq: An analysis of war(2003)
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Publication Date
Fri Jul 01 2011
Journal Name
Energy
Experimental and numerical analysis of electrical metal foam heater
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A novel concept of air heater using a heating element made from Aluminum metal porous disc surrounded by a DC resistive electrical heater inserted in the mid-plane of a copper tube of (52.8 mm) diameter and (480 mm) length is presented herein. Study of the developed heater is conducted; using different porous disc thicknesses of (20, 40, 60 mm), heater wall temperatures (106 °C and 119 °C), and flow rates rare varied from (100–300 L/min). Al-metal foam disc has been made using the metal powder technology. Different resistive electrical heaters according to the type of porous disc used have been manufactured. A 2-D computational model is developed, using continuity, momentum, and energy equations for turbulent forced flow in plain tube,

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Publication Date
Fri Jul 21 2023
Journal Name
Journal Of Engineering
EXPERIMENTAL AND NUMERICAL STRESS ANALYSIS OF INVOLUTE SPLINED SHAFT
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In this study, the induced splined shaft teeth contact and bending stresses have been investigated numerically using finite element method(Ansys package version 11.0) with changing the most effecting design parameter,(pressure angle, teeth number, fillet radius and normal module), for internal and external splined shaft. Experimental work has been achieved using two dimensional photoelastic techniques to get the contact and bending stresses; the used material is Bakelite sheet type “PSM-4”.
The results of numerical stress analysis indicate that, the increasing of the pressure angle and fillet radius decrease the bending stress and increase the contact stress for both internal and external spline shaft teeth while the increasing of

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Publication Date
Sun Mar 01 2009
Journal Name
A Thesis Submitted To The College Of Information Engineering Of Nahrain University In Partial Fulfillment Of The Requirements For The Degree Of Master Of Science In Information Engineering
Network Congestion and Quality of Service Analysis Using OPNET
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Congestion management features operate to control congestion once it occurs. One way that network elements handle an overflow of arriving traffic is to use a queuing algorithm to sort the traffic, and then determine some methods of prioritizing it onto an output link. Each queuing algorithm was designed to solve a specific network traffic problem and has a particular effect on the network performance. The work presented in this thesis deals with important issue that is the quality of service (QoS) techniques, which can be integrated to enhance the operation of the network. The quality of service is the collective effect on service performance, which determines the degree of satisfaction of a user of the service. In this thesis, packet sched

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Publication Date
Sat Dec 01 2018
Journal Name
Al-khwarizmi Engineering Journal
Dynamic Analysis of Thin Composite Cylindrical and Spherical Shells
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In this work, an investigation for the dynamic analysis of thin composite cylindrical and spherical shells is presented. The analytical solution is based upon the higher order shear deformation theory of elastic shells from which the developed equations are derived to deal with orthotropic layers. This will cover the determination of the fundamental natural frequencies and mode shapes for simply supported composites cylindrical and spherical shells.

      The analytical results obtained by using the derived equations were confirmed by the finite element technique using the well known Ansys package. The results have shown a good agreement with a maximum percentage of discrepancy, which gives a confidence o

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Publication Date
Thu Jan 01 2015
Journal Name
Journal Of Engineering
Shell and Double Concentric Tube Heat Exchanger Calculations and Analysis
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This study concerns a new type of heat exchangers, which is that of shell-and-double concentric tube heat exchangers. The case studies include both design calculations and performance calculations.

       The new heat exchanger design was conducted according to Kern method. The volumetric flow rates were 3.6 m3/h and 7.63 m3/h for the hot oil and water respectively. The experimental parameters studied were: temperature, flow rate of hot oil, flow rate of cold water and pressure drop.

A comparison was made for the theoretical and experimental results and it was found that the percentage error for the hot oil outlet temperature was (- 1.6%). The percentage

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Publication Date
Fri Mar 01 2013
Journal Name
Journal Of Economics And Administrative Sciences
Employment of exploratory factor analysis to extract factors Organizational Loyalty and job satisfaction Case Study in the College of Technology Management – Baghdad
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According to the measuring the relationship between organizational loyalty and job satisfaction among staff members at one college in the higher education ministry in Iraq by using exploratory factor analysis methods to extraction the components which have the major effects on the variables related to organizational loyalty and job satisfaction .

The research contains four basic topics، the first section related to methodology and regarding the conceptual framework it is discussed in the second section، and the third section concentrated at the presentation and the analysis Scientific results and practical results are section presented in the fourth.

 

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Publication Date
Fri Nov 18 2011
Journal Name
Kerbala Journal Of Pharmaceutical Sciences
Synthesis and characterization of some substituted heterocyclic compounds and evaluation of biological activity
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This work includes preparing of some new derivatives of 1,2,4-Triazoles and oxazoles from the reaction between 3,5-dimethyl phenol and chloroethyl acetate in the presence of potassium carbonate and dry acetone to obtain the ester ethyl 3,5- dimethyl phenoxy acetate , then converted this ester to Thiosemicarbazone and Semicarbazone. Then ,the Triazoles were prepared from the cyclization of these Thiosemcarbazones and Semicarbazones in alkaline media( potassium hydroxide solution) . The prepared compounds were characterized by spectral methods FT-IR ,1H-NMR and measurement of some of its physical properties and evaluation of the biological activity for some of them.

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Publication Date
Mon Mar 15 2021
Journal Name
Egyptian Journal Of Chemistry
Synthesis and Characterization of some Tetrazole Derivatives and Evaluation of their Biological Activity
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