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Mixed-ligand complexes of ampicillin derived Schiff base 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, [ML1(L2)3]Clx [M= Cr(III), Fe(III), Co(II),Ni(II), Cu(II), Cd(II) and Hg(II), n = 2, 3], was synthesized using Schiff base (HL1) as main ligand, nicotinamide (L2) as secondary ligand, and the corresponding metal ions in 1:3:1 molar ratio. The main ligand, HL1 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,1H-NMR,13C-NMR and TG/DTG studies. In the mixed-ligand complexes, the Schiff base ligand, HL1 showed coordination to the central metal ion in tridentate manner via azomethine nitrogen, β-lactam ring oxygen and deprotonated carboxylic oxygen atoms, whereas the secondary ligand L2 (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 ascertain 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.

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Publication Date
Mon Apr 03 2023
Journal Name
Journal Of Electronics,computer Networking And Applied Mathematics
Comparison of Some Estimator Methods of Regression Mixed Model for the Multilinearity Problem and High – Dimensional Data
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In order to obtain a mixed model with high significance and accurate alertness, it is necessary to search for the method that performs the task of selecting the most important variables to be included in the model, especially when the data under study suffers from the problem of multicollinearity as well as the problem of high dimensions. The research aims to compare some methods of choosing the explanatory variables and the estimation of the parameters of the regression model, which are Bayesian Ridge Regression (unbiased) and the adaptive Lasso regression model, using simulation. MSE was used to compare the methods.

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
CALCULATION OF EXCESS MOLAR VOL-UMES OF SOME TERNARY LIQUID MIX-TURES AT 303.15 K
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Excess molar volumes of five ternary mixtures of 2- methoxy ethanol(1) +butyl acetate(2)+benzene(3), +toluene(3), +chlorobenzene(3), +bromobenzene(3), and +nitrobenzene(3) have been measured at 303.15K. The excess molar volume exhibited positive deviation over the entire range of composition in the systems 2-methoxy ethanol(1)+ butyl acetate(2)+ benzene(3),+toluene(3) and sigmoid behavior in the case of the remaining systems. Flory's statistical theory have been extended to predict the excess molar volumes of the five ternary mixtures at 303.15 k over a wide range of composition . An excellent agreement has been found between the experimental and theoretical excess molar volumes , both in magnitude and sign .

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Publication Date
Sat Nov 01 2025
Journal Name
Construction And Building Materials
Polyalphaolefin as a potential modifying agent for hard asphalt cement: Physical, rheological, and chemical characterization
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Hard-grade asphalt binders like AC20-30 typically exhibit excessive stiffness, reduced penetration, and compromised workability, necessitating modification before use in paving applications. This study evaluates the efficacy of regular polyalphaolefin (PAO), a synthetic olefin-based lubricant, as a performance-enhancing modifying agent for such binders. AC20-30 was blended with PAO at dosages ranging from 2 wt.% to 10 wt.%, and the modified binders were characterized via penetration, ductility, softening point, and rotational viscosity measurements, alongside advanced rheological and chemical-morphological analyses. Incorporating PAO in AC20-30 asphalt progressively reduced the binder stiffness and enhanced its flexibility, with all modifie

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Publication Date
Thu Jun 30 2022
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
THE USE OF ULTRAVIOLET RAYS TO PRESERVE FERMENTED GREEN OLIVES AND ITS EFFECTS ON CHEMICAL PROPERTIES OF ITS EXTRACTED OIL : THE USE OF ULTRAVIOLET RAYS TO PRESERVE FERMENTED GREEN OLIVES AND ITS EFFECTS ON CHEMICAL PROPERTIES OF ITS EXTRACTED OIL
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The use of ultraviolet rays is one of the methods of treating surface contamination of many foods especially pickles. however, there are some side effects to its use, especially in high percentage oil food products, it is necessary to determine the appropriate doses and time periods to avoid deterioration of its oil physicochemical characteristics. this study was conducted to see the effect of ultraviolet rays 15W on some chemical properties of olive oil when using it to preserve green olive pickles, treated for 5, 10 and 15 min daily. green olive fruits Iraqi variety (al-ashrasi), in season (2020-2021) were pickled using Spanish style, the best time period to pr

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Publication Date
Sat Dec 20 2025
Journal Name
Journal Of Baghdad College Of Dentistry
The antibacterial effect of herbal alternative, green tea and Salvadora Persica (Siwak) extracts on Entercoccus faecalis
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Background: Disinfection and shaping of the canal with a combination of chem¬ical agents and endodontic instruments play an important role in the success of endodontic therapy. Eliminating the microorganisms within the pulp space is a critical and important objective in treating a tooth with apical periodontitis. This study was conducted to evaluate the antibacterial properties of herbal alternatives (Green tea and siwak extracts) as possible irrigants during endodontic treatment compared with the conventional irrigation solutions. Materials and methods: Salvadora Persica (siwak) and Green Tea solutions were prepared.An agar diffusion test was performed on Mueller-Hinton agar using the well diffusion method. The tested solutions (5.25% N

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Publication Date
Tue Dec 01 2020
Journal Name
Malaysian Journal Of Biochemistry & Molecular Biology
ANTIBACTERIAL AND ANTIBIOFILM EFFECTS OF BISMUTH NANOPARTICLES PRODUCED BY BACILLUS SUBTILIS AGAINST MULTIDRUG-RESISTANT Pseudomonas aeruginosa
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This study aimed to determine the effect of green bismuth oxide (BiO) NPs against multidrug-resistant (MDR) Pseudomonas aeruginosa (P. aeruginosa) from wound infections. Among 450 wound samples collected from patients admitted to the hospital, 200 P. aeruginosa isolates were identified. MDR strains of P. aeruginosa were detected by disc diffusion method. BiO NPs were synthesized using wild Bacillus subtilis (B. subtilis) strain and infrared spectroscopy, X-ray diffraction and scanning electron microscopy techniques. The antibacterial effect of the NPs compared to antibiotics against MDR strains was evaluated using a standard disk diffusion method. BiO NPs were synthesized at 0.005 M concentration of solution. According to the SEM im

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Publication Date
Mon Nov 04 2019
Journal Name
Applied Physics Letters
Stability of organic permeable base transistors
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Organic Permeable Base Transistors (OPBTs) reach a very high transit frequency and large on-state currents. However, for a later commercial application of this technology, a high operational stability is essential as well. Here, the stability of OPBTs during continuous cycling and during base bias stress is discussed. It is observed that the threshold voltage of these transistors shifts toward more positive base voltages if stressed by applying a constant potential to the base electrode for prolonged times. With the help of a 2D device simulation, it is proposed that the observed instabilities are due to charges that are trapped on top of an oxide layer formed around the base electrode. These charges are thermally released after rem

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Publication Date
Wed Oct 14 2020
Journal Name
Plant Archives
EVALUATION OF THE EFFICIENCY OF SOME CHEMICAL (FYLEX), NANOPARTICLES (MGO) AND BIOLOGICAL FACTORS IN INHIBITING OF ASPERGILLUS FLAVUS
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The Fylex extract exert a high inhibition effect against A . flavus growth on PDA medium, as the fungus growth was completely inhibited by 100% at a concentration of 0.2 and 0.3% of studied extract, while the lowest inhibition percentage (71%) was found at a concentration of 0.1%. Whereas magnesium oxide nanoparticles showed the highest inhibition ratio of A. flavus (100%) was detected at 0.2% and the lowest inhibition ratio (81.66%) was at concentration 0.5%. Moreover, the addition of G. lucidum powder to PDA medium with a concentration of 2.5 mg increased the inhibition rate of A. flavus growth which was 54.4%, while the lowest inhibition ration (18.22%) was found at a concentration of 1000 mg. The milky liquid (brocade milk) of Calotropi

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Impact germination in the content of the chemical components of Homs and sensory qualities of Biskt plant it,
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This study was conducted to identify the impact of germination in the ratio Almaah of Chemical Constituents of Homs and in the organoleptic properties of the Biskt plant it and compare the results with the treatment control (seeds Almnepth) Adhrt results for a significant increase in the percentage of crude protein with the progress of the process of germination, reaching 24.5% in percentage of crude protein with the progress of the germination process Krbu hydrate college during the germination period, reaching 59.2% in the fourth day

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Publication Date
Fri Nov 25 2022
Journal Name
Diagnostics
Biochemical and Mechanical Analysis of Occlusal and Proximal Carious Lesions
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A precise evaluation of caries excavation endpoint is essential in clinical and laboratory investigations. Caries invasion differentiates dentin into structurally altered layers. This study assessed these changes using Raman spectroscopy and Vickers microhardness. Ten permanent molars with occlusal and proximal carious lesions were assessed and compared at 130 points utilizing four Raman spectroscopic peaks: phosphate v1 at 960 cm−1, amide I (1650 cm−1), amide III (1235 cm−1) and the C-H bond of the pyrrolidine ring (1450 cm−1). The phosphate-to-amide I peak ratio and collagen integrity peak ratio (amide III: C-H bond) of carious zones were calculated and compared in both lesions. The former ratio was correlated to 130 Vicke

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