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DFT, anticancer, antioxidant and molecular docking investigations of some ternary Ni(II) complexes with 2‑[(E)‑[4‑(dimethylamino) phenyl]methyleneamino]phenol
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The biological activities of some ternary nickel complexes with a Schiff base obtained from 4-dimethylaminobenzaldehyde and 2-aminophenol have been reported. The Schiff base ( HL1) acts as a primary ligand whereas, anthranilic acid ( HL2), 2-nitroaniline ( HL3), alanine ( HL4) and histidine ( HL5) act as secondary ligand or co-ligand. The anticancer activity of these compounds was studied against human colon carcinoma (HCT-116), human hepatocellular liver carcinoma (HEPG-2) and human breast carcinoma (MCF-7) cell lines. As per the results, the compounds were active against the cell lines. The antioxidant activity of the same compounds was evaluated using DPPH (1,1-diphenyl-2-picryl-hydrazyl) radical scavenging and compared with ascorbic acid. The DFT computations for these compounds were made to understand the bonding mode by a GAUSSIAN 09 program. Moreover, a docking analysis using Autodock 4.2 software package was carried out against the tyrosine kinase receptor (PDB ID: 1M17). In addition, QSAR investigation was also performed to understand the biological potency of the ligand.

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Publication Date
Wed Dec 11 2019
Journal Name
Aip Conference Proceedings
Mass stopping power of alpha particles in liquid water and some gases
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The interaction of charged particles with the chemical elements involved in the synthesis of human tissues is one of the modern techniques in radiation therapy. One of these charged particles are alpha particles, where recent studies have confirmed their ability to generate radiation in a highly toxic localized manner because of its high ionization and short its range. In this work, We focused our study on the interaction of alpha particles with liquid water; since the water represents over 80% of the most-soft tissues, as well as, hydrogen, oxygen, and nitrogen ,because they are key chemical elements involved in the synthesis of most human tissues. The mass stopping powers of alpha particle with HଶO , COଶ, Oଶ, Hଶ and Nଶhave

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Publication Date
Sun Dec 06 2015
Journal Name
Baghdad Science Journal
Synthesis and Characterization of Some New Benzodiazepinium Salt Derivatives under microwave Irradiation
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An attempt to synthesize the benzoimidazol derivatives from the reaction of o-phenylenediamine and benzoic acid derivatives in the presence of ethanol and various ketones under microwave irradiation, 1 , 5 - benzodiazepinum salt derivatives were obtained instead of them. Unexpected reaction was happened for synthesis a new series of benzodiazepinium salt derivatives in a selective yield . The reaction mechanism was also discussed. The new compounds were purified and identified their structures were elucidated using various physical techniques like; FT- IR spectra, micro elemental analysis (C.H.N) and 1H NMR spectra.

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Some machnical and thermal proprties of mullite prepared from iraqi starting materials
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Some mechanical and thermal properties of mullite samples prepared by mixing different phases of alumina and silica powders have been studied according to ASTM methods the cold crushing strength of the sintcred bodies.With different porosity, at room temperature was in the range(18-54)Mpa

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Publication Date
Fri Dec 29 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Effect of Jaundice on Some Hematological and Biochemical Parameteres in Human
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This   study   has   investigated   the   effect   of   jaundice   on   some

hematological  and biochemical paramenters in male and female.  The results have shown significant decrease in Hemoglobin concentration, packed cell volume, white blood cell count and platelet count. The biochemical parameters results have shown significant increase in prothrombine time, level of total bilirubin, Aspartale transminase and Alanin trans aminase in the serum of male and femal.

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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
Synthesis and Study Antibacterial Activity of Some New Polymers Containing Maleimide Group
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Abstract<p>By condensation of benzaldehyde with thiourea in absolute ethanol in the presence of glacial acetic acid as a catalyst, the Schiff base(1-benzylidenethiourea)[I] was synthesized by synthesis of 4-(3-benzylidenethioureido)-4-thioxobut-2-enoic acid compound[II] by reaction of maleic anhydride with schiff base [I] in DMF. When treating compound [II] with ammonium persulfate (NH4)2S2O8 (APS) as an ethanol initiator to obtain polymer [III], compound [III] reacted to polymer [IV] with SOCl2 in benzene. Sulfamethizole, celecoxib, salbutamol, 4-aminoantipyrine to yield polymers [V-VIII], compound [IV] reaction with different drugs. Spectral evidence established the structure of synthesized co</p> ... Show More
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Publication Date
Sun Sep 01 2019
Journal Name
Baghdad Science Journal
Synthesis, Characterization and Antimicrobial Activity Study of Some New Substituted Benzoxazole Derivatives
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This research included the preparation of 2-mercaptobenzoxazole (N1) by the reaction of ortho-aminophenol with carbon disulfide in an alcoholic potassium hydroxide solution. The 2-mercapto benzoxazole (N1) was then treated with hydrazine to obtain the 2-hydrazino benzoxazole (N2). A number of hydrazones (N3-N5) were prepared through the reaction of N2 with different benzaldehydes. The compound (N6) was also prepared whereby the ring closing of hydrazone (N3) using chloroacetylchloride, while the compound (N7) was prepared by treating 2-hydrazino benzoxazole with acetylacetone. When the compound (N1) was treated with formaldehyde, it afforded the compound (N8). Also, the N9 was obtained from the reaction of N1 with chloroacetic acid in th

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Publication Date
Mon Nov 01 2021
Journal Name
Iop Conference Series: Earth And Environmental Science
Some Genetic Parameters and Path Coefficient of Three-Way Crosses in Maize
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Abstract<p>Correlation and path coefficient analysis were worked out for ten morphological traits in 30 three-way crosses of maize. Phenotypic and genotypic correlation analysis indicated that ear length; row numbers per ear, grain numbers per row, leaf area and leaves numbers had a positive significant correlation with grain yield per plant. Further partitioning of correlation coefficients into direct and indirect effects showed that traits days to silking, row numbers per row and leaves numbers had a positive direct effect on grain yield per plant. The traits ear length, grain numbers per row and leaf area had a maximum total effect on grain yield. Furthermore, PCA analysis has gave interested</p> ... Show More
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Publication Date
Mon Mar 20 2023
Journal Name
Liquid Crystals
Synthesis and study the mesomorphic behaviour of some new 1,3,4-thiadiazoline derivatives
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Investigation of mesomorphic properties of new 1,3,4-thiadiazolines (which are synthesised via many steps in Scheme 1) was carried out in this study. These compounds are designed to have a heterocyclic unit, a carboxylate linkage group and a polar ether chain at the end of the molecule adjacent to the benzene ring, which enhance the dipolar interactions forces (varied from one to eight carbons) to investigate the association properties of their phases. The structure of the target compounds and the intermediates were confirmed by 1H NMR, 13C NMR, mass and FTIR spectral techniques. Polarised microscopic studies revealed that all the compounds in the series exhibited enantiotropic liquid crystalline properties. This was further confirmed using

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Publication Date
Fri Dec 29 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Spectroscopic Study of Some 1,3,4-0xadiazole, 1,3,4- Thiadiazole and 1,2,4- Triazole Derivatives
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Compounds   [II   - [51  namely  2,5-(N,N'-diphenyldiamino)  -1,3,4- oxadiazole  [I],  2,5-(N,N'- diphenyl  diamino)  -1.3,4- thiadia:zole (2] ,4-

phenyl   Â·3-(N-phenyl   amino)-5-hydroxy-1,2,4-  triazolc  [31 ,3,5-(N,N'­

diphenyl diamino)-1 ,2,4- triazolc r4) and 4-phenyl  -5-(N-phenyl arnino)-

3-  th io l -1 ,2.4· triazole  [5) are prepared  and  studied.  Their  electronic

spectra in different  pH media and in dilferent  solvents were studied. The lR spectrum of compounds [3) and [5] showed  that these compounds are present in keto

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Publication Date
Wed Jan 30 2019
Journal Name
Journal Of The College Of Education For Women
Effect of some air pollutants (sticking minutes and lead) on human health
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Air pollution is one of the complex problems plaguing the environment at the present time
as a result of many liberation of gases, vapors and fumes of fuels and chemicals resulting
from industrial activities . It should be noted that there are some elements of the heavy
(Heavy Metals), including toxic in the air, with different concentrations in the air depending
on the nature of the area, for example be in rural areas is lower than in cities or industrial
areas as measured parts million (ppm ) or parts per billion (ppb). Some of these important
elements in the physiological processes and enzymatic organisms but become toxic and
Qatlhand-increase Tercisahaan the permissible limits Bhave nature ,The air contaminant

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