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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
Sat Mar 28 2020
Journal Name
Iraqi Journal Of Science
Image Classification Schemes Based on Sliced Radial Energy Distribution of DFT and the Statistical Moments of Haar Wavelet
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Texture recognition is used in various pattern recognition applications and texture classification that possess a characteristic appearance. This research paper aims to provide an improved scheme to provide enhanced classification decisions and to decrease processing time significantly. This research studied the discriminating characteristics of textures by extracting them from various texture images using discrete Haar transform (DHT) and discrete Fourier transform DFT. Two sets of features are proposed; the first set was extracted using the traditional DFT, while the second used DHT. The features from the Fourier domain are calculated using the radial distribution of spectra, while for those extracted from Haar Wavelet the statistical

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
synthesis and study of some mixed ligand complexes of caffeine
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I've been in this research preparation and diagnostic complexes mixed Kandat of Alcavaúan Alpiculan ion Althaaossianat with some metal ions has been reactive in ethanol solvent and distilled water by (1:1) and water complexes and lotions to the accounts of the metal in the complex

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Publication Date
Tue Jan 01 2019
Journal Name
Energy Procedia
Synthesis and Study the Structure, electrical and optical properties of Bi2-xCdxSr2Ca2Cu3O10+ δ thin film Superconductors
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Publication Date
Sun Mar 05 2017
Journal Name
Baghdad Science Journal
Detecting the antibacterial activity of green synthesized silver (Ag) nanoparticles functionalized with ampicillin (Amp)
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In the current study, synthesis and characterization of silver nanoparticles (AgNPs) before and after functionalization with ampicillin antibiotic and their application as anti-pathogenic agents towards bacteria were investigated. AgNPs were synthesized by a green method from AgNO3 solution with glucose subjected to microwave radiation. Characterization of the nanoparticles was conducted using UV-Vis spectroscopy, scanning electron microscopy (SEM), zeta potential determination and Fourier transform infrared (FTIR) spectroscopy. From SEM analysis, the typical silver nanoparticle particle size was found to be 30 nm and Zeta potential measurements gave information about particle stability. Analysis of FTIR patterns and UV-VIS spectroscopy con

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Publication Date
Mon Nov 01 2021
Journal Name
Iop Conference Series: Earth And Environmental Science
Effect of Spraying With Organic Sulfur and Hydrogen Peroxide on The Growth and Yield of Red Local Onions Allium Cepa L.
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Abstract<p>The study was conducted in the fields of the Department of Horticulture and Landscaping/College of Agriculture/University of Al-Qadisiyah/Al-Nouriah district - for the 2019-2020 agricultural season to study the effect of spraying with organic sulfur and hydrogen peroxide on the growth and yield of onions, Allium cepa L, where the study included two factors: the first factor was spraying organic sulfur at concentration (0, 2)., 4 ml. L-1) and symbol S1, S2, S3 and the second factor spraying with hydrogen peroxide at a concentration (0, 2, 4 ml. L-1) and symbolized by B1, B2, B3 and the interaction between them. A factorial experiment was conducted according to the randomized complete b</p> ... Show More
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Publication Date
Mon Jan 01 2018
Journal Name
J. Of University Of Anbar For Pure Science
Synthesis, spectral Characterization and studies of Some Divalent Metal Ion Complexes with Ligand of [3-(1H-indol- 3-yl)-2-(3-(4-methoxybenzoyl)thiouereido)propanoic acid] (MTP
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In this work, prepared new ligand[3- (1H-indol-3-yl) -2- (3-(4- methoxybenzoyl)thiouereido) propanoic acid](MTP) has been synthesized by reaction of 4-Methoxybenzoyl isothiocyanate with tryptophane(1:1), The ligand was characterized by elemental microanalysis C.H.N.S, FT-IR, UV-Vis and 1H,13C NMR spectra, Some transition metals complexes of this ligand were prepared and characterized by FT-IR, UV-Vis spectra, conductivity measurements, magnetic susceptibility and atomic absorption, From obtained results the molecular formula of all prepared complexes were [M(MTP)2] (M+2 =Mn, Co, Ni, Cu, Zn, Cd and Hg), the proposed geometrical structure for all complexes were tetrahedral except copper complex has a square planer geometry around metallic ion

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Publication Date
Sat Jan 11 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Craniometric asymmetry assessment in class I and class II skeletal relationship patients using helical computed tomography sample aged between 18-35 years
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Background: Asymmetry assessment is an important component of orthodontic diagnosis and treatment planning. Several studies attempted to find the relationship between craniometric asymmetry and skeletal jaws relationship and many authors found some extent of asymmetry in individuals with normal jaws relationship. The use of Computed tomography (CT) allows for the assessment of asymmetry on a dimensionally accurate volumetric image, aim of the study is to determine if there are differences in craniometric asymmetry between patient with skeletal class I and patients with skeletal class II relationship using Helical CT scan. Materials and Methods: Ninety individuals with clinically symmetrical faces were imaged with Helical CT scan, and aging

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Publication Date
Fri Jan 26 2024
Journal Name
Iraqi Journal Of Science
Pomegranate Peels as Biosorbent Material to Remove Heavy Metal Ions from Industerial Wastewater
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Pomegranate peels were used to remove zinc, chromium and nickel from industrial wastewater. Three forms of these peels (fresh, dried small pieces and powder) were tested under some environmental factors such as pH, temperature and contact time.
The obtained results showed that these peels are capable of removing zinc, chromium and nickel ions at significant capacities. The powder of the peels had the highest capability in bioremoving all zinc, chromium and nickel ions while dried peels had the lowest capacity again for all metals under test. However, the highest capacities were found in a sequence of chromium, nickel and zinc. Furthermore, all these data were significantly (LSD peel forms = 2.761 mg/l, LSD metal ions = 1.756 mg/l) var

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Publication Date
Sun Sep 07 2014
Journal Name
Baghdad Science Journal
Lettuce Leaves as Biosorbent Material to Remove Heavy Metal Ions from Industerial Wastewater
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The current study was designed to remove Lead, Copper and Zinc from industrial wastewater using Lettuce leaves (Lactuca sativa) within three forms (fresh, dried and powdered) under some environmental factors such as pH, temperature and contact time. Current data show that Lettuce leaves are capable of removing Lead, Copper and Zinc ions at significant capacity. Furthermore, the powder of Lettuce leaves had highest capability in removing all metal ions. The highest capacity was for Lead then Copper and finally Zinc. However, some examined factors were found to have significant impacts upon bioremoval capacity of studied ions, where best biosorption capacity was found at pH 4, at temperature 50º C and contact time of 1 hour.

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Publication Date
Fri Jan 24 2020
Journal Name
Iraqi Journal Of Agricultural Sciences
RESPONSE OF ABELMOSCHUS ESCULENTUS L. FORINOCULATION WITH MYCORRHIZAE AND FOLAIR APPLICATION WITH BIO-STIMULATORS AND EFFECT ON VEGETATIVE GROWTH CHARACTERS
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The current study  was carried out at the Fields belongs of Horticulture  Department, Collage of Agricultural Engineering Science, University of  Baghdad, Al-Jadiriyah for the spring season 2016 -2017 to study the effect for  inoculation mycorrhizae and  folair application  with bio stimulators and their interaction in the growth characters of  (local okra  ptera). A factorial experiment  (2  in randomized complete block design (RCBD), the experiment included (12) treatment  Distributed  in three  replicates. The three factors used in this experiment included . The inoculation with control (C) Mycorrhizae  ( M ) , Biozyme  (B ) ( B1 2cm3.L-1), ( B2 4cm1-.L-1) , Phosphalas (P) (P 2cm3.L-1),  ( M + B1), ( M + B2), (P +

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