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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

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 Dec 30 2009
Journal Name
Iraqi Journal Of Physics
Photostability of PMMA-TiO2 micro composites and PMMA-TiO2 nano composites

Comparison for the optical energy gap between pure
PMMA , PMMA-TiO2 micro composites and PMMA-TiO2 nano
composites have been investigated under uv – radiation , the
effect of time irradiation (0,6,12,24,48,72,96 and 120) have been
studied for these specimens to study the photic stability .The
results show that the photostability of the PMMA-TiO2
nanocomposite is higher than that of the pure PMMA and
PMMA-TiO2 micro composite under UV-light irradiation

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Publication Date
Sat Aug 31 2019
Journal Name
Iraqi Journal Of Physics
Investigate Salts type and concentration on the conductivity of Polymer Electrolyte

Polymer electrolytes systems compose of (PEO+KI+I2) and (PEO+RbI+I2) with different concentration, and a fixed amount of ethylene carbonate (EC) and propylene carbonate (PC) over temperatures range 293-343 K prepared by solution cast me

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Publication Date
Sun Apr 03 2016
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Fine Needle Aspiration Cytology of Lung Masses, benefits, precautions and complications.

Background: Pulmonary masses represent a great challenge for diagnosis. Fine Needle Aspiration Cytology (FNAC) is one of the diagnostic methods which was used since long time.
Objectives: To concern on Fine Needle Aspiration Cytology of pulmonary masses regarding benefits, precautions and patient’s preparation to avoid possible complications.
Patients and Methods: A prospective study is carried out from December 2008 to July 2015 on 45 patients presented with pulmonary masses to the Department of the thoracic and vascular surgery at Al-Yarmook teaching hospital and from the private sector. A Fine Needle Aspiration Cytology was done for them under local anesthesia as an outpatient procedure.
Results: 40 patients (88.9%) got acc

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Publication Date
Fri Dec 01 2023
Journal Name
Iraqi Journal Of Physics
Characterization and Photovoltaic Effect of (Sb2O3: Metal Oxides)/ C-Si Heterojunctions

This work concerns the synthesis of two types of composites based on antimony oxide named (Sb2O3):(WO3, In2O3). Thin films were fabricated using pulsed laser deposition. The compositional analysis was explored using Fourier transform infrared spectrum (FTIR), which confirms the existence of antimony, tungsten, and indium oxides in the prepared samples. The hall effect measurement showed that antimony oxide nanostructure thin films are p-type and gradually converted to n-type by the addition of tungsten oxide, while they are converted almost instantly to n-type by the addition of indium oxide. Different heterojunction solar cells were prepared from (Sb2O3:WO

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Publication Date
Fri Dec 01 2023
Journal Name
Political Sciences Journal
The Logic of Balancing in Structural Realism: Anarchy and Expansionist Policies

This research discusses the logic of the balance of power in the field of International Relations. It focuses on the structural-systemic version of the theory because of its centrality to the realist research program within the field. The paper examines the conventional wisdom, which argues that balances of power, in a self-help system, will form regardless of the state’s motives (or intentions); It emerges as an unintended recurring consequence of the interaction of units in anarchy, which primarily seeks superior, not an equal power. This logic assumes that hegemony does not form (or fail) in a multi-state system, because its threats (actual or perceived) to the system instill fear and provoke counterbalancing behavior by other state

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Publication Date
Mon Dec 06 2021
Journal Name
Iraqi Journal Of Science
Detection of Snow Cover us ing NDSI and False Color Methods

Snowfall is one of the most important natural phenomena that can be seen in the
winter which is considered as a rare phenomenon in the Middle East. Snow is
covering parts of mountains in northern Iraq and neighboring countries in the first
months of the year. In this research, the snow cover can be detected and monitored
using pseudo color method, and the Normalized Difference Snow INDECES
(NDSI). Snow cover is difficult to detect in true color satellite images because the
white color of snow cover is the same color with the cloud cover. Modis sensors that
carried by Terra and Equa satellites images have been used in different bands and
different resolution and the case studied in 4/2/2017, 5/2/2017.

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Publication Date
Thu Feb 11 2021
Journal Name
Journal Of Legal Sciences
International responsibility for the proliferation of small arms and light weapons

نظمت التشريعات محل الدراسة الحقوق الحزبية وفق شروط معينة ذات طبيعة موضوعية, حتى يمكن أن تمارس وتتحقق الغاية من إباحتها, غير أن هذا التنظيم أخرج فئات معينة من نطاق ممارسة هذه الحقوق, وعمل على فرض قيود معينة تبعاً لتوفر صفات معينة في الأشخاص الذين يعدون مواطنين وتنطبق عليهم الشروط العامة لممارسة الحقوق السياسية, فأصبحت الصفة الرسمية للمواطن في الدولة, وطبيعة الوظيفة, أو التكليف العام التي يمارسها, ومن شأنها أن

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Publication Date
Mon Jun 05 2023
Journal Name
Journal Of Economics And Administrative Sciences
Comparison of Poisson Regression and Conway Maxwell Poisson Models Using Simulation

Regression models are one of the most important models used in modern studies, especially research and health studies because of the important results they achieve. Two regression models were used: Poisson Regression Model and Conway-Max Well-  Poisson), where this study aimed to make a comparison between the two models and choose the best one between them using the simulation method and at different sample sizes (n = 25,50,100) and with repetitions (r = 1000). The Matlab program was adopted.) to conduct a simulation experiment, where the results showed the superiority of the Poisson model through the mean square error criterion (MSE) and also through the Akaiki criterion (AIC) for the same distribution.

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Publication Date
Mon Feb 18 2019
Journal Name
Iraqi Journal Of Physics
Data visualization and distinct features extraction of the comet Ison 2013

The distribution of the intensity of the comet Ison C/2013 is studied by taking its histogram. This distribution reveals four distinct regions that related to the background, tail, coma and nucleus. One dimensional temperature distribution fitting is achieved by using two mathematical equations that related to the coordinate of the center of the comet. The quiver plot of the gradient of the comet shows very clearly that arrows headed towards the maximum intensity of the comet.

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Publication Date
Sun Mar 26 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Formulation and Evaluation of Nystatin Microparticles as a Sustained Release System

Nystatin is the drug of choice for treatment of cutaneous fungal infections with main disadvantage that is the need for multiple applications to achieve complete eradication which may reduce patient compliance. Microparticles offer a solution for such issue as they are one of sustained release preparations that achieve slow release of drug over an extended period of time. The objectives of this study were to fabricate nystatin-loaded chitosan microparticles with the ultimate goal of prolonging drug release and to analyze the influence of polymer concentration on various properties of microparticles. Microparticles were prepared by chemical cross-linking method using glutaraldehyde as cross-linking agent. Five formulas, namely N1C1, N1C2,

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