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Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions
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The multi-dentate Schiff base ligand (H2L), where H2L=2,2'-(((1,3,5,6)-1-(3-((l1-oxidaneyl)-l5-methyl)-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-di ene-3,5-diylidene)bis(azaneylylidene))bis(3-(4-hydroxyphenyl)propanoic acid), has been prepared from curcumin and L- Tyrosine amino acid. The synthesized Schiff base ligand (H2L) and the second ligand 1,10-phenanthroline (phen) are used to prepare the new complexes [Al(L)(phen)]Cl, K[Ag(L)(phen)] and [Pb(L)(phen)]. The synthesized compounds are characterized by magnetic susceptibility measurements, micro elemental analysis (C.H.N), mass spectrometry, molar conductance, FT-infrared, UV-visible, atomic absorption (AA), 13C-NMR, and 1H-NMR spectral studies. The characterization of the synthesized complexes shows that the environment surrounding the central metal ion in the complexes adopted a distorted octahedral configuration. Moreover, the conductivity measurements show a non-electrolytic character for the [Pb(L)(phen)] complex and an electrolytic character for the [Al(L)(phen)]Cl and K[Ag(L)(phen)] complexes. The experimental infrared data are supported by density functional theory (DFT) calculations using the B3LYP level of theory and LANL2DZ basis set. The vibrational frequencies of the molecules are computed using the optimized geometry obtained from the DFT calculations. The calculated vibrational frequencies have been compared with obtained experimental values. 1H and 13C-NMR chemical shifts were computed for the H2L ligand using the DFT/GIAO method. Additionally, the molecular electronic structures of the complexes have been investigated by DFT calculations.

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Publication Date
Sun Mar 04 2012
Journal Name
Baghdad Science Journal
Synthesis and Spectral Studies of ZnII,CdII and HgII Complexes with 5-(2-Benzoic acid azo)-8-hydroxy quinoline Ligand
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Coupling reaction of 2-amino benzoic acid with 8-hydroxy quinoline gave bidentate azo ligand. The prepared ligand has been identified by Microelemental Analysis,1HNMR,FT-IR and UV-Vis spectroscopic techniques. Treatment of the prepared ligand with the following metal ions (ZnII,CdII and HgII) in aqueous ethanol with a 1:2 M:L ratio and at optimum pH, yielded a series of neutral complexes of the general formula [M(L)2]. The prepared complexes have been characterized by using flame atomic absorption, (C.H.N) Analysis, FT-IR and UV-Vis spectroscopic methods as well as conductivity measurements. The nature of the complexes formed were studied following the mole ratio and continuous variation methods, Beer's law obeyed over a concentration ra

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Publication Date
Sun Jul 30 2023
Journal Name
Iraqi Journal Of Science
Environmental Study of Groundwater Quality of Selected Wells in Al-Zubair, Southern Iraq and their Uses
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     Twenty-five groundwater samples from the Al-Zubair area, southern Iraq, were analyzed for physical and chemical variables. The study showed that the groundwater is of acidic type and in it tends towards light alkalinity. Both electrical conductivity and the total dissolved solids showed increased concentrations of sodium, calcium, magnesium, potassium and sulfate, chloride, bicarbonate, and nitrate. The hydrochemical formula for most groundwater wells are (Ca-Cl), (Ca-SO4), (Mg-SO4), and (Na-Cl) type due to the high concentrations of these ions in the water., it was found that this water is not suitable for human drinking. Due to its high salinity compared to the requirements of international standard and Iraqi standa

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Publication Date
Sun Jul 31 2022
Journal Name
Iraqi Journal Of Science
The Key Role of Bone Function Markers in Patients with Type (II) Diabetes Mellitus
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      Complications associated with diabetes are a consequence of acute disturbance in glucose metabolism in a human body. The most significant complication of diabetes is bone disorders which contributes to high levels of bone disability. This study included 118 diabetic patients, 56 males, 62 females, and 60 healthy non-diabetic controls, 30 males, 30 females. The patients and controls were age matched. Circulating levels of bone function markers (osteoprotegerin, vitamin D, PTH, total calcium and inorganic phosphorus) were determined in all subject groups. The data obtained from this study showed that the serum levels of osteoprotegerin had significantly increased in both diabetic male & female in both age ranges which were 4

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Publication Date
Mon Apr 01 2024
Journal Name
Journal Of Environmental Chemical Engineering
A critical review describes wastewater photocatalytic detoxification over Bi5O7I-based heterojunction photocatalysts: Characterizations, mechanism insight, and DFT calculations
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Publication Date
Fri Dec 30 2022
Journal Name
Iraqi Journal Of Science
Study of Possible Changes in Lipid Profiles between Premenopausal and Postmenopausal Women with Hyperthyroidism and Others with Hypothyroidism
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      Menopause is the lack of menstrual cycle for at least six months. Due to hormonal changes, the alternation of lipid profile as a risk factor related to heart disease increases during menopause . One hundred twenty Iraqi women, aged between 40-65 years, were selected for this study. They were divided into two groups: 60 premenopausal and 60 postmenopausal women, and then each group was further divided into two subgroups: 20 women with hyperthyroidism and 20 with hypothyroidism, as well as 20 healthy women as control group. Blood samples were collected to estimate  hormonal parameter by enzyme linked immunosorbent assay (ELISA) and lipid profile using enzymatic technique. The results showed that alterations in lipid profile inc

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Publication Date
Tue Aug 30 2022
Journal Name
Research Journal Of Pharmacy And Technology
Correlation of Angiotensin-converting enzyme inhibitors and angiotensin II receptor blockers with serum GDF-15 in a group of hypertensive Iraqi patients
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The Growth Differentiation Factor -15 (GDF-15) is a member of the transforming growth factor β superfamily. İt represents an example of the stress response cytokines. It's mostly found in cardiac myocytes, adipocytes, macrophages, endothelial cells, and vascular endothelial cells, whether they're generated normally or not. GDF-15 levels have increased and are associated with cardiovascular risk. Aim of the study: To investigate the correlation between angiotensin-converting enzyme (ACE) inhibitors and angiotensin II receptor blockers (ARBs) with the level of plasma GDF-15 in a group of hypertensive patients. Materials and methods: A case-control study involved 90 individuals, 60 hypertensive patients (36 on ACE inhibitors and 24 on ARBs)

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Publication Date
Fri Jan 07 2022
Journal Name
Materials
Impact Behavior of Composite Reinforced Concrete Beams with Pultruded I-GFRP Beam
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Publication Date
Fri Jan 07 2022
Journal Name
Materials
Impact Behavior of Composite Reinforced Concrete Beams with Pultruded I-GFRP Beam
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The present study experimentally and numerically investigated the impact behavior of composite reinforced concrete (RC) beams with the pultruded I-GFRP and I-steel beams. Eight specimens of two groups were cast in different configurations. The first group consisted of four specimens and was tested under static load to provide reference results for the second group. The four specimens in the second group were tested first under impact loading and then static loading to determine the residual static strengths of the impacted specimens. The test variables considered the type of encased I-section (steel and GFRP), presence of shear connectors, and drop height during impact tests. A mass of 42.5 kg was dropped on the top surface at the m

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Publication Date
Thu Mar 09 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Effect of H2O2 and Uric Acid on Seed Germination and Seedling Growth of Zea mays L.
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The laboratory experment was conducted to study the effect of H2O2 with 5ppm,10 ppm and Uric Acid with 5ppm,10 ppm concentration on seed germination and seedling growth of Zea Mays L.
The result showed that the H2O2 and Uric Acid effect significantly to increase percentage of seed germination , seedling vigor index,dry weight and proline concentration compared with control treatment ,given the concentration of each H2O2 and Uric Acid of the best result of seed germination 70.00%,76.00% and seedling vigor index 21.00%,26.00% and dry weight give in 5ppm to Uric Acid significantly increased 0.34%,the 10 ppm to H2O2 increased proline concentration in plant compared with control treatment

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Publication Date
Sun Mar 12 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Characterization of Some New Hydrazides and Their Derivatives
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New hydrazide compounds (A2) and (A9) were prepared from their corresponding esters (A1, A8) .These esters were also prepared from their precursors 5-ethoxy carbonyl-(4methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2-thione (A1) via multicomponent reaction type and from hippuric acid respectively. The hydrazide compounds were then allowed to react with some aldehydes forming the corresponding hydrazones (A3-7) and (A1014). The synthesized compounds were characterized by IR, 1H-NMR, 13C-NMR, and Mass spectroscopies and well discussed. .

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