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Quantum Mechanical Calculations for Some PINH Cs Symmetry Schiff Bases as Corrosion Inhibitors for Mild Steel

Density Functional Theory (DFT) at the B3LYP/6-311G basis set level was performed on six new substituted Schiff base derivatives of PINH [(phenylallylidene) isonicotinohydrazide], The calculated quantum chemical parameters correlated to the inhibition efficiency are EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap [ΔE(HOMO-LUMO)], hardness (η), softness (S), dipole moment (μ), electron affinity (EA), ionization potential (IE), the absolute electronegativity (χ), Global electrophilicity index ( ) and the fraction of electron transferred (ΔN), all have discussed at their equilibrium geometry and their correct symmetry (Cs). Comparisons of the order of inhibition efficiency of the Schiff bases derivatives, and local reactivity were analyzed using Mulliken population analysis. The local reactivity has been studied through condensed softness indices in order to predict both the reactive centers and to know the possible sites of nucleophilic and electrophilic attacks. Also vibration frequencies and IR absorption intensities were carried out for the calculated Schiff bases molecules. Also some physical values were studied such as heat of formation and total energy.

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Publication Date
Sun Apr 01 2018
Journal Name
Journal Of Educational And Psychological Researches
The social organization of the Iraqi society "sociological study on the social arrangement in light of sociological analysis of some deviant behavior theories"

The current article focuses on studying the social organization reality of the Iraqi society; it aims to construct an Iraqi organized personality that believe in the principles of Islamic religion by making use of the sociology thoughts in explaining the strength of social organization, and the causes of social deviance in attempt of decreasing the deviance and strengthening the cohesion of Iraqi character.

The researchers put forward some questions: to what extent the western theoretical pattern can succeed in explaining the social organization of the Iraqi society? What is the more appropriate western theory for diagnosing the cohesion and deviance of the society? What is the s

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Publication Date
Tue Dec 25 2018
Journal Name
Iraqi Journal Of Science
Serrasentis Sp. Acanthocephalans Parasite of Some Iraqi Marine Water Fishes With Observation of the Pathology, Feeding Habits and Infection of Upeneus Sulphureus Fishes

The genus Serrasentis is one of important acanthocephalan parasites, parasitizing fish, birds and other vertebrates. Twenty two out of 500 fish specimens (4.4%) were found to be naturally infected with adult and cyst of worms of Serrasentis sp. which were collected from the stomach and intestine of Synaptura orientalis; Johnius belangrii, Otolithus ruber and Upeneus sulphureus fish species', from locations of Khor Abdullah, Arabian Gulf, Iraqi marine waters (29°58,33, N48°28, 20E) during the year 2017.The light and SEM study revealed that the adult worm have elongated and cylindrical body, anterior extremity with hooks forming combs arranged on the ven

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Publication Date
Wed Dec 01 2021
Journal Name
Iraqi Journal Of Science
Evaluation of the antibacterial effects of Eucalyptus camaldulensis L., Glycyrrhiza glabra L. and Morus nigra L. extracts against some pathogenic bacteria in vitro

This study aimed to test the effect of using different concentrations of three different plants extracts to inhibit the growth of gram negative and gram positive bacteria by two technics. Eucalyptus camaldulensis bark, Glycyrrhiza glabra rhizomes and Morus nigra leaves ethanolic extract at (0,20,30,40 and 50 mg/ml) were used. The antimicrobial activity and the biofilm inhibition assay used with these extracts showed positive effect in inhibiting the growth of bacteria. E.amaldulensis extract showed the higher effect than G. glabra and M.nigra extracts in antimicrobial activity assay, while the effect of E. camaldulensis extract in biofilm inhibition assay was higher than G. glabra that was higher than M. nigra extracts for both gram nega

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Publication Date
Sun Jun 01 2014
Journal Name
Baghdad Science Journal
Biodiversity Index value of benthic invertebrates' community in relation with variation of some environmental properties in Rivers Tigris and Diyala within Baghdad city.

This study was carried out to determine the effects of some environmental variables on biodiversity index value of benthic invertebrates' community in samples that collected monthly from two adjacent sites nearby the confluence of Tigris and Diyala rivers within Baghdad city that’s from November 2007 - October 2008. Results showed differences in chemical and physical characteristics for each river. Where the annual averages of these characteristics in Rivers Tigris and Diyala respectively for: water temperature (20, 19) Cº, pH (8, 8), Dissolved oxygen DO(8,4 ) mg/l , EC(1152,2979)µc/cm , Turbidity (28,74) NTU, Total Hardness of CaCO3 (485,823)mg/l, and finally NO3 (4,6)mg/l. Concerning the biological groups, included types of Insect

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Publication Date
Fri Jun 24 2022
Journal Name
Iraqi Journal Of Science
A Study of the Effect of Some Growth Conditions on Inhibitory Activity of Lactobacillus delbrueckii and Lactobacillus fermentum to reduce Growth of E.coli

هدفت هذه الد ا رسة لاختبار تاثير بعض ظروف النمو على الفاعلية التثبيطية لبكتيريا Lactobacillus delbrueckii و L.fermentum على نمو بكتيريا E.coli وقد دلت نتائج د ا رسة اختبار الفاعلية التثبيطية
للعزلتان البكتيريتان Lactobacillus delbrueckii L.fermentum , ضد العزلة البكترية E.coli المستخدمة في هذه الد ا رسة عند الت ا ركيز المختلفة 100,90,70,50) ( % بان عالق العزلتان البكتيريتان
Lactobacillus delbrueckii و L.fermentum عند التركيز % 100 اعطى اعلى فاعلية تثبيطية ضد
بكتريا E.coli

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Publication Date
Wed Feb 02 2022
Journal Name
Iraqi Journal Of Science
The influence of some amino acids,vitamins and anti-inflammatory drugs on activity of chondroitinase produced by Proteus vulgaris caused urinary tract infection

Two hundred and ten specimens include urine, blood and ear swab were collected from different hospitals in Baghdad city; 85 (40%) isolates were diagnosed as Proteus spp. with (82%), (11.7%) and (5.8%) represented in urine, blood and ear swab specimens respectively. PCR technique was shown 30 (35.3%) isolates were positive for specific Urease C gene that used in rapid detection of Proteus vulgaris. The ability for chondritinase production was checked invetro and invevo, 24 (80%) isolates of P. vulgaris were showed ablity to chondritinase production and the isolate (p17) has higher enzyme activity value to (175.2U/ml). The Chondroitinase was purified by three short steps only included precipitate with 60% saturated of ammonium sulfate, dia

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Publication Date
Wed Dec 14 2016
Journal Name
Journal Of Baghdad College Of Dentistry
Evaluation the Effect of Addition of Plasma Treated Polypropylene Fiber and Silanized Silicon Dioxide Nanoparticles Composite on Some Properties of Heat-Polymerized Polymethylmethacrylate


Background: Polymethylmethacrylate (PMMA) is the most ‎commonly used m‏aterial in denture construction. This material is ‎far from ideal in fulfilling the‎ mechanical requirements, like low impact and transverse strength and poor thermal conductivity are present in this material. The purpose of this study was to study the effect of addition a composite which include 1%wt silanized silicone dioxide nano fillers (SiO2) and 1wt% oxygen plasma treated polypropylene fiber (PP) on some properties of heat cured acrylic resin denture base material (PMMA). Materials and methods: One hund‏red (100) prepared specimens were divided into five groups according to the tests, each group consisted of 20 specimens and t

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Publication Date
Mon Feb 25 2019
Journal Name
Iraqi Journal Of Physics
Determining the concentrations of radon and the rate of annual effective dose in some types of drinking water available in the Iraqi markets

           In this research, radon concentrations in some types of healthy drinking water samples available in Iraq's market were measured using a technique called Durridge RAD-7-H2O with closed loop. Then the rate of annual effective dose in human taken this water is determined.

          It was found that, radon concentrations in studied samples ranged between 1.2 Bq.m-3 to 142 Bq.m-3. The results of the radon concentrations and the rate of annual effective dose for drinking water samples were significantly lower than the USEPA and WHO recommended limits that equal 500 Bq/m3 and 1 mSv/y resp

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Publication Date
Sun Dec 07 2014
Journal Name
Baghdad Science Journal
Adsorption of some Metal Ions from Aqueous Solution on Iraqi Rice Bran and Its Relation to the Physical Properties of these Metal Ions

Adsorption studies were carried out to test the ability of the Iraqi rice bran (Amber type) to adsorb some metals divalent cations (Cd2+, Co2+, Cu2+, Fe2+, Ni2+, Pb2+, and Zn2+) as an alternative tool to remove these pollutants from water. The Concentrations of these ions in water were measured using flame and flamless atomic absorption spectrophotometry techniques. The applicability of the adsorption isotherm on Langmuir or Freundlisch equation were tested and found to be dependent on the type of ions. The results showed different adsorptive behavior and different capacities of the adsorption of the ions on the surface of the bran. The correlation between the amounts adsorbed and different cation parameters including (electronegativity, io

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Publication Date
Sun Oct 02 2016
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Effects of Some Commonly Used COX-1 and COX-2 in the treatment of minor aches on Ovulation in Women A (Clinical Study).

Background: Ovulation is the central event in ovarian physiology, and ovulatory dysfunction is a relevant cause of female infertility, (NSAIDs) are consistently inhibit ovulation, likely due to the inhibition of cyclooxygenase that is the rate limiting enzyme in prostaglandin (PG) synthesis.
Objectives: The present study was designed to find out the possible restraining influence of some COX-1 and COX-2 drugs on ovulation in women at the child-bearing age and to warn physician of prescribing them to women who want to conceive.
Patients and methods:The present study employed in women[52 patients plus 12 controls] attending Baghdad teaching hospital department of rheumatology to assess the influences of some COX-1 and COX-2 NSAIDs [c

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