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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
Sun Jul 31 2022
Journal Name
Iraqi Journal Of Science
A Review of Data Mining and Knowledge Discovery Approaches for Bioinformatics

     This review explores the Knowledge Discovery Database (KDD) approach, which supports the bioinformatics domain to progress efficiently, and illustrate their relationship with data mining. Thus, it is important to extract advantages of Data Mining (DM) strategy management such as effectively stressing its role in cost control, which is the principle of competitive intelligence, and the role of it in information management. As well as, its ability to discover hidden knowledge. However, there are many challenges such as inaccurate, hand-written data, and analyzing a large amount of variant information for extracting useful knowledge by using DM strategies. These strategies are successfully applied in several applications as data wa

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Publication Date
Sun Jun 09 2019
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Formulation and Evaluation of Silymarin Microcrystals by In- Situ Micronization Technique

Silymarin (SM) is a plant extract obtained from Silybum marianum( milk thistle) . It is class II type drug according to  Biopharmaceutics Classification System with low bioavailability due to its low solubility.

Micro/nanonization during crystallization, surface modification and crystal structure modification may improve the dissolution rate of poorly water-soluble drugs.

The aim of this study was to increase the water solubility and dissolution rate of SM by in-situ micronization using solvent change either by stirring or ultrasonic method. Stabilizers like Gelatin, PVP-K30, HPMC15, Pulullan were used to stabilize the prepared ultrafine crystals. Effect of type and concentration of hydrophilic polymer, solv

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Publication Date
Thu Jun 15 2023
Journal Name
International Journal Of Nanoscience
Fabrication and Enhancement of Organic Photodetectors Based on Iron Phthalocyanine Films

Iron–phthalocyanine (FePc) organic photoconductive detector was fabricated using pulsed laser deposition (PLD) technique to work in ultraviolet (UV) and visible regions. The organic semiconductor material (iron phthalocyanine) was deposited on n-type silicon wafer (Si) substrates at different thicknesses (100, 200 and 300) nm. FePc organic photoconductive detector has been improved by two methods: the first is to manufacture the detector on PSi substrates, and the second is by coating the detector with polyamide–nylon polymer to enhance the photoconductivity of the FePc detector. The current–voltage (I–V) characteristics, responsivity, photocurrent gain, response time and the quantum efficiency of the fabricated photoconduc

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Publication Date
Tue Aug 01 2023
Journal Name
Journal Of Materials Science: Materials In Electronics
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Publication Date
Sun Oct 21 2018
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Thrombocytosis and CA125 as Predictor of Malignancy in Gynaecological Pelvic Mass

Background: Pelvic masses are common in women & can present at any age of woman life, it could be benign or malignant mass and may originate from gynecological organs like cervix, uterus, uterine adnexia, or from other pelvic organs like intestine, bladder, ureters, skeletal muscle, and bone.
Objective: We attempted to determine the increasing of platelet counts(> 450.000 /micro liter) and CA125serum level (> 35 U/mL) as useful tools for predicting and confirming malignancy in gynecological pelvic mass.
Patients and methods: A prospective unmatched hospital based case-control study carried out at Baghdad Teaching Hospital, about 126 women were enrolled in our study, divided into two groups 60 women were control group (fre

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Publication Date
Sun Aug 30 2020
Journal Name
Journal Of Economics And Administrative Sciences
Evaluation of Internal Control Activities and their Role in Administrative Decisions

The current research aims to verify the relationship and impact of internal control activities as an independent variable in its dimensions (efficiency, training, independence) in making administrative decisions as a responsive variable and its dimensions (identifying and diagnosing the problem, searching for alternatives, evaluating alternatives, choosing the appropriate alternative, implementing the decision, following up Decision and evaluation) in the Kirkuk Water Directorate, as well as to identify the levels of their practices, and then try to come up with a number of recommendations contribute to the strengthening of internal control activities and the process of making administrative decisions of the researched Directorat

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Publication Date
Sun Apr 30 2023
Journal Name
Iraqi Journal Of Science
Removal of Lead and Chromium From Industrial Wastewater by LocallyCitrobacter spp.Isolates

Biosorption is an effective method to remove toxic metals from wastewaters. In this
study biosorption of lead and chromium ions from solution was studied using
Citrobacter freundii and Citrobacter kosari isolated from industrial wastewater. The
experimental results showed that optimum grwoth temperature for both bacteria is 30oC
and the optimum pH is 7 &6 for C. freundii and C. kosari respectively. While the
optimum incubation period to remove Pb and Cr for C. freundii and C. kosari is 4 days
and 3days respectively. Also the biosorption of Pb and Cr in mixed culture of bacteria
and mixed culture of Pb and Cr was investigated. Result indicate that uptake of Cr and
Pb for C.freundii, C. kosari and in mixes cultu

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Publication Date
Sun Apr 01 2018
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Health Literacy of Diabetic Patients and its Impact on Disease Outcome

Background: Diabetes is one of the common and costly chronic health issues and a major cause of morbidity and mortality among other non-communicable diseases. Diabetes patients’ literacy about their diseases is to be addressed as an active factor of the disease outcome.

Objectives: The objectives of the current study were to determine the overall health literacy level among diabetic patients attending the PHC centers and to test the association between the measured health literacy and their glycemic control.

Methods: A cross-sectional study was conducted on a sample of randomly selected diab

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Publication Date
Sun Oct 22 2023
Journal Name
Iraqi Journal Of Science
Asymptotic Stability of Index 2 and 3 Hesenberg Differential Algebraic Equations

This paper aims to study the asymptotic stability of the equilibrium points of the index 2 and index 3 Hesenberg differential algebraic equations. The problem reformulated to an equivalent explicit differential algebraic equations system, so the asymptotic stability is easily investigated. The singular points such as impasse points and singularity induced bifurcation points are identified in this kind of differential algebraic equations by using conclusion of the explicit differential algebraic equations.

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Publication Date
Tue Jun 30 2009
Journal Name
Al-kindy College Medical Journal
Non-Metastatic Breast Cancer : Clinical Presentation and Patterns of Surgical Treatment

Background : Breast cancer is the most common cancer of
women. When breast cancer is detected and treated early,
the chances for survival are better. Surgery is the most
important treatment for non-metastatic breast cancer.
Al-Kindy Col Med J 2008 Vol.5(1) 40 Original Article
Objectives : The aim of this study is to review different
clinical presentation and to evaluate types of surgical
procedures and complications in treatment of nonmetastatic breast cancer.
Method : During the period from Jun 1998 to May 2005,
93 patients with non-metastatic breast cancer were
diagnosed and treated surgically in 2 hospitals in Baghdad (
Hammad Shihab military hospital and Al-Kindy teaching
hospital).
Results : Wo

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