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Hydrogenation of pyridine and hydrogenolysis of piperidine over $γ$-Mo2N catalyst: a DFT study
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Increasing demands on producing environmentally friendly products are becoming a driving force for designing highly active catalysts. Thus, surfaces that efficiently catalyse the nitrogen reduction reactions are greatly sought in moderating air-pollutant emissions. This contribution aims to computationally investigate the hydrodenitrogenation (HDN) networks of pyridine over the γ-Mo2N(111) surface using a density functional theory (DFT) approach. Various adsorption configurations have been considered for the molecularly adsorbed pyridine. Findings indicate that pyridine can be adsorbed via side-on and end-on modes in six geometries in which one adsorption site is revealed to have the lowest adsorption energy (–45.3 kcal/mol). Over a nitrogen hollow site adsorption site, initial HDN steps proceed by the stepwise hydrogenation of pyridine into piperidine followed by the Langmuir–Hinshelwood mechanism. The obtained findings are the first to theoretically model the hydrogenation pathways of pyridine to form piperidine and then the hydrogenolysis of piperidine producing C5H12 and NH3 over metal nitride. These paved the way for further investigations to better understanding such an important nitrogen removal reactions.

Publication Date
Wed Apr 27 2022
Journal Name
Arabian Journal For Science And Engineering
Optical and Thermal Performance of a Parabolic Trough Collector for Different Receiver Geometries
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This paper numerically and theoretically investigates the optical and thermal performance of a parabolic trough collector PTC system. Many numerical simulations and theoretical analyses are conducted to demonstrate the influence of the receiver geometry and shifting from the focal position on the optical performance. The examined receiver geometries are circular, square, triangular, elliptical, and the new circular–square combined geometry is named as channel receiver. The thermal performance of PTC is examined for different volume flow rates theoretically in the range of (0.36 to 2.4 lpm). The results show that the best optical design is the channel receiver with an intercept factor of 84%, while the worst is the elliptical receiver with

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Scopus (17)
Crossref (9)
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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Study of Density Distribution in Entrained Plasma
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A theoretical investigation is carried out to study the effect of a pencil electron beam propagating inside the plasma region determining the hydrodynamic densities distribution with the aid of numerical analysis finite deference method (FDM).The plasma is generated and trapped by annular electron beams of fixed electron density 1x1014 m-3. The result of the study shows that the hydrodynamic density behaves as the increase in pencil electron beam. The hydrodynamic density ratio goes to more than double as the increase in pencil electron beam density to 1x1018 m-3.

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Publication Date
Mon Jun 03 2024
Journal Name
Research Journal Of Chemistry And Environment
Molecular study of two medicinal leech species
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he genus Hirudo is an invertebrate animal that got major concerns to human. However, genetics of Hirudo has been unwell considered in Iraq. In order to gain a deeper understanding in the outline of the genetic of Hirudo that were used in alternative medicine clinics, nineteen specimens of Hirudo were obtained. Fourteen of them (H.verbana, n=10; H. orientalis, n=4) were obtained from some different clinics and scientific centres in Baghdad, Iraq between January and March 2022, these specimens were considered as non-local leeches. The other (native isolates) leeches (H. orientalis, n=5) were collected in 2014 from two localities in Erbil, northern Iraq. ITS-2, COI and 12S-rRNA of Hirudo spp were amplified using conventional polymerase chain r

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Publication Date
Sun Apr 26 2020
Journal Name
Iraqi Journal Of Agricultural Sciences
PALYNOLOGICAL STUDY OF GENUS Pterocephalus IN IRAQ
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This research was aimed to study the pollen morphology for the genus Pterocephalus(Vaill)  from Dipsacaceae family in Iraq, and to utilize these feathers in isolating the species as valuable taxonomic traits for enriching Iraqi flora. The study included characteristics of the type, shape, size, sculpturing and apertures, as well as determining the full dimensions using light microscopy as well as numerical analysis of this species and draw polygonal shapes and denderogram  convergence between species. The results of the study of pollen and polygonal forms showed significant differences in the characteristics at the level of each species, which helps to identification the genus species, as it was found that the pollen was a tricolp

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Publication Date
Thu Jan 16 2020
Journal Name
Indian Journal Of Forensic Medicine And Toxicology
Clinicopathological Study of Oral Giant Cell Fibroma
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Giant Cell Fibroma (GCF) is a relatively rare oral mucosal lesion, so named due to the characteristic giant cells present within the fibrous stroma of the lesion, limited number of clinicopathological studies were performed in previously published literature. This study was performed to evaluate the clinicopathological features of Giant cell fibroma in a sample of Iraqi patients. Formalin-fixed paraffin-embedded sections from 22 giant cell fibroma in period between 2010 and 2018 were retrieved from the laboratory of oral pathology of Baghdad University/College of Dentistry, Clinical data and microscopic features were reviewed and analyzed according to the available surgical reports. The mean age of patients at the time of diagnosis was 29.6

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Scopus
Publication Date
Sun Mar 07 2010
Journal Name
Baghdad Science Journal
Biochemical Study of Gallstones Compositions in Iraqipatients
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The aim of this study is to determine the organic and inorganic components of bile and gallstones in Iraqi patients. Forty seven patients were included in this study with mean age (53+7) years and BMI (30.82+4.18) Kg/m2. Bile was classified according to its corresponding stones into: Bile of Mixed stones and Bile of pigment stones. IR spectra were studied for both types of stones and their bile in addition to biochemical analysis for organic and inorganic components. The organic components include: (cholesterol, bilirubin, bile salts, and phospholipids), while inorganic components include salts of: (calcium, phosphorus, iron, cupper and magnesium). The results reveal to there was significant low levels (p<0.005) of bile salts and phospholi

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Publication Date
Sat Jun 30 2007
Journal Name
Al-kindy College Medical Journal
Microbiological Study of Male ’ s Urethral Discharge
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Objective: To evaluate male patients complaining of
urethritis clinically according to the isolated organisms.
Method: A total of 100 male patients attending to of
Dermatological and Venereal private clinics for the period
April 2003 to November 2003 were included in the study.
Urethral swab was obtained from each male for culture and
direct immunofluorescence examination was done.
Demographic data was obtained, also.
Results: N. gonorrhoea was the predominate cause of
infection in 22%. A peak of infection was reported in the
second decade of age. Highest rate reported among single
males. A significant association was noticed between
profuse discharge and infection with gonorrhoea.
Conclusion: This

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Diagnostically study of the Digestive system Helminthes
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A total of 247 specimens of the Mallard were collected from Baghdad city and kut City and 154 specimens the collection was started from October1999

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Publication Date
Fri Feb 01 2019
Journal Name
Journal Of The College Of Education For Women
Conservation of Concept among Children: Semantic Study
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Conservation of Concept among Children: Semantic Study

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Publication Date
Tue Dec 01 2009
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
MICROFACIES STUDY OF HADIENE FORMATION (NORTH IRAQ)
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In the region of the north of Iraq using the method of analyzing thin section microfacies to 38 of rockyslices which were gathered from a place near Aqra city. These slides are divided into seven microfacies depending on lithologcal component and fossils.

1) Dolostone facies.

2)Recrystallized bioclastic wackestone facies.

3) Bioclastic packstone microfacies

4)Sucrosic dolomite facies.

 5) Bioclastic grainstone in microfacies.

 According to water energy, these facies were divided to three zone:

  1. a) Low energy environment.
  2. b) Transitional zone.
  3. c) High energy environment.

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