The present work shows a theoretical results that have been used the functional Hybrid of three parameters Lee-Yang-Parr (B3LYP) of the quantum mechanical approach for density functional theory with (Spanish Initiative for Electronic Simulations with Thousands of Atoms) SIESTA code. All calculations were carried out employing the used method at the Gaussian 09 package of programs. It was reported the main point for research on dominance of the bandgap of elongated pi-conjugated molecules by using different chemical groups replacing hydrogen atom in the most molecules that used in this work. The side groups creates another factor that controls the value of the band gap. The dihedral angle between the two phenyl rings plays more important role in controlling the band gap in these molecules.
Trials were carried out in the middle of Iraq ( 3 different sites ) during 2009 to detecation and determined the seasonal occurrence of Agriotes lineatus L. Three YATOR funnel traps were used in each of these sites which baited with the specific pheromone of A. lineatus from the first of March to the end of October in the College of Agriculture - Abu- Ghraib / Provenance of Baghdad and AL-Nile / Provenance of Babylon , while in AL-Radhwania was used through May- June. Pheromone dispenser were changed every 6 weeks in each of these traps . Males of A. lineatus were found in all of the three sites , and the total number capture were 208 , 897 and 57 male / 3 traps / season in College of Agriculture , AL-Nile and AL-Radhwania respectiv
... Show MoreBackground: Nickel-titanium (NiTi) archwires have become increasingly popular because of their ability to release constant light forces, which are especially useful during initial alignment and leveling phase. The aim of the present study was to investigate and compare the load–deflection characteristics of four commercially available NiTi archwires. Materials and methods: 200 NiTi 0.014, 0.016, 0.018, 0.016x0.022 and 0.019x0.025-inch nickel–titanium archwires from four different manufacturers (3M, Ortho Technology, Jiscop and Astar) were tested. The load-deflection properties of these archwires were evaluated by a full arch bending test in both palatal and gingival directionsat 37°C temperature using a universal material t
... Show MoreHalobacterium saccharovorum was isolated from local highsalinity souls named Al-Massab Al-Aam. A growth curve was determined. The average generation time during logarith- mic phase was 17.80±0.62 hr. Bacteriorhodopsin was 1808 lated from the purple membrane, its concentration was 4.8 mg/ml and H.W was 26000. The pattern of other membrane Bpoteins was studied and compared with those of other Boletes. Several unique proteins were isolated and their molecular weights were determined.
This paper presents the synthesis and study of some new mixed-ligand complexes containing nicotinamide(C6H7N2O) symbolized (NA) and phenylalanine (C9H11NO2)symbolized (pheH)] with some metal ions. The resulting products were found to be solid crystalline complexes which have been characterized by :Melting points, Solubility, Molar conductivity. determination the percentage of the metal in the complexes by flame(AAS), magnetic susceptipibility, Spectroscopic Method [FT-IR and UV-Vis]. The proposed structure of the complexes using program , chem office 3D(2006) . The general formula have been given for the prepared complexes : [M(NA)2(phe)]cl M(II): Mn(II) ,Co(II) , Ni(II) , Cu(II) , Zn(II) , Cd(II) & Hg(II)). NA = Nicotinamide= C6
... Show MoreA sensitive and selective method have been developed for the determination of palladium (II)and platinum (II) . A new reagent and two complexes have been prepared in ethanolic solutions .The method is based on the chelation of metal ions with 4-(4?- pyrazolon azo) resorcinol (APAR) to form intense color soluble products, that are stable and have a maximum absorption at 595 nm and at 463 nm and ?max of 1.11×10 4 and.1.35 ×104 Lmole-1cm-1 for Pd(II) Pt(II) respectively. A linear correlation of (1.4 – 0.2) and (3.2 -0.4 ) ppm for pd(II) pt(II) respectively .The stability constants , relative errors , a relative standard deviations for Pd(II) and Pt(II) were 0.40×105 , 0.4×104 L mol-1 ,0.34 - 0.21% and 2.4 – 0.91% respectively.
... Show MoreAbstract Exotoxin A is the most lethal virulence factor produced by Pseudomonas aeruginosa. It inhibits elongation factor-2 by ADP-ribosylation of EF2. This causes stop of the elongation of polypeptides. In recent study, the effect of low concentration of exotoxin A on some important internal organs of mice was studied. Four groups white mice were injected intraperitonialy with pure exotoxin A in the following manner 0.1, 0.2, 0.3, 0.4 ng\ animals. One mouse receives normal saline inrtaperitonialy as a control. After 72 hours the mice were killed and four organs were taken, liver, spleen, lung and heart from each killed mice. Histological sections were made from each organ and stained with hematoxylin and eosin stain then examined under mic
... Show MoreA new ligand [N-(3-acetylphenylcarbamothioyl)-4-chlorobenzamide] (CAD) was synthesized by reaction of 4-Chlorobenzoyl isothiocyanate with 3-amino acetophenone, The ligand was characterized by elemental micro analysis 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(CAD)2(H2O)2]Cl2 (M+2 =Mn, Co, Ni, Cu, Zn, Cd and Hg),the proposed geometrical structure for all complexes were octahedral.
SUMMARY. – Nanocrystalline thin fi lms of CdS are deposited on glass substrate by chemical bath deposited technique using polyvinyl alcohol (PVA) matrix solution. Crystallite size of the nanocrystalline films are determining from broading of X-ray diffraction lines and are found to vary from 0.33-0.52 nm, an increase of molarity the grain size decreases which turns increases the band gap. The band gap of nanocrystalline material is determined from the UV spectrograph. The absorption edge and absorption coefficient increases when the molarity increases and shifted towards the lower wavelength.