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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
Sun Jan 01 2017
Journal Name
International Journal Of Chem Tech Research
theoretical study to calculate some parameters of ion optical system
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Publication Date
Sat Apr 01 2023
Journal Name
Earth And Environmental Science
Study Functional Properties of the Isolated Protein from Germinated Mung‏
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The functional properties of the defatted powder and protein isolate of germinated mung bean seeds were studied and the estimation of the amino acids was carried out. The results showed a significant increase in the values of the amino acids leucine, lysine, phenylalanine and valine. The results of studying the functional properties of the protein isolate and defatted powder showed that there were significant differences between the sample The defatted and protein isolate, if the water absorption capacity of the defatted mung powder was 2.5% water/gm protein and the water absorption capacity of the protein isolate was 3%ml water/g protein, the fat binding capacity of the defatted powder was 0.3 ml fat/g protein and the isolate The ratio was

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Publication Date
Tue Dec 18 2018
Journal Name
14th Lisbon International Conference On Agricultural, Biological, Environmental And Medical Sciences (labems-18)
Anatomical Study of Species Ipomoea carnea Jacq. (Convolvulaceae) in Iraq
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The current study included the collection of soft samples for Ipomoea carnea Jacq. The anatomical properties of the leaf, which included the characteristics of the surface epidermis, the vertical section of the leaf, the transverse section of the petiole, the pedicel and the indumentum, as well as the study of leaf venation, were examined

Publication Date
Wed May 17 2023
Journal Name
Journal Of Engineering
Numerical Study of Solar Chimney with Absorber at Different Locations
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Heat transfer process and fluid flow in a solar chimney used for natural ventilation are investigated numerically in the present work. Solar chimney was tested by selecting different positions of absorber namely: at the back side, front side, and at the middle of the air gap. CFD analysis based on finite volume method is used to predict the thermal performance, and air flow in two dimensional solar chimney under unsteady state condition, to identify the effect of different parameters such as solar radiation. Results show that a solar chimney with absorber at the middle of the air gap gives better ventilation performance. A comparison between the numerical and previous experimental results shows fair agreement.

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Publication Date
Wed Jun 17 2015
Journal Name
جامعة المستنصرية
study of some aspect on Iraqi children with Atopic Dermatitis
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Publication Date
Tue Feb 24 2026
Journal Name
Journal Of Baghdad College Of Dentistry
Color Stability of Different Aesthetic Archwires (An In vitro study)
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Background: Coated aesthetic archwires are currently the existing solutions for the esthetic problem, but the color of these archwires tends to change overtime. This study was aimed to evaluate the color stability of different types of esthetic archwires from four different companies at different time periods after immersion of two different staining drinks which are tea and Pepsi cola. Materials and methods: 48 specimens were prepared, each specimen contains 10 aesthetic archwires; and were divided according to type of solution into two groups: A (tea) &B (Pepsi cola); each group contained 24 specimens (12 specimens were immersed in the staining solution as 4 specimens for each time intervals and 12 specimens were immersed in distilled wa

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Publication Date
Tue Feb 01 2022
Journal Name
Journal Of Engineering
Geomechanical study to predict the onset of sand production formation
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One of the costliest problems facing the production of hydrocarbons in unconsolidated sandstone reservoirs is the production of sand once hydrocarbon production starts. The sanding start prediction model is very important to decide on sand control in the future, including whether or when sand control should be used. This research developed an easy-to-use Computer program to determine the beginning of sanding sites in the driven area. The model is based on estimating the critical pressure drop that occurs when sand is onset to produced. The outcomes have been drawn as a function of the free sand production with the critical flow rates for reservoir pressure decline. The results show that the pressure drawdown required to

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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
Anatomical study of the Carissa macrocarpa (Apocynaceae family) in Iraq
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This study was conducted to examine the anatomical aspects of Carissa macrocarpa, of stem, leaf and leaf venation. The results obtaind showed that the tissue of the studied parts have important anatomical characteristics in terms of the shape of the cross-sectional of stem and vertical-sectional of leaves. The stem section appeared in circular and the midrib was crescent shape and the stomata appeared on the upper surface of the leaf only, Tetracytic in type. Druses crystals and Aleurone granules appeared on both surfaces of leaves. The venation type was Brochidodromous in which the secondary veins do not end at the edge of the leaf, and each secondary race is connected with the higher rac

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Publication Date
Wed Sep 16 2020
Journal Name
Al-kindy College Medical Journal
STUDY OF TINEA PEDIS IN DIABETIC VERSUS NON-DIABETIC PATIENTS
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Background : The aim of this work is to study the clinical features and causative fungi of tinea pedis in diabetic and non-diabetic patients. Result : Tinea pedis was estimated to be the second most common skin disease in the United States, after acne. Up to 15% of the U.S., population may have tinea pedis. Across Europe and East Asia, prevalence rates reach 20 %. Methods: The Complete history taking regarding: age, sex, occupation, residency, history of diabetes and diabetic profile (fasting blood sugar and post prandial).and Clinical examination of the feet Aim of the study : The aim of this work was to study the clinical features and causative fungi of tinea pedis in diabetic and non-diabetic patients Conclusion : Tinea pedis is more

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Publication Date
Tue Jul 08 2025
Journal Name
Phytotaxa
Palynological study of subfamily Caesalpiniodeae species (Fabaceae) in Baghdad (Iraq)
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Pollen morphology characterization is an important field in taxonomy. This study aims to identify and characterize the pollen morphology for fourteen species from subfamily Caesalpiniodeae (Fabaceae). The results showed the similarity of all species pollen in terms of being monad and tri,zono-colporate type, and each Ceratonia siliqua and Senna occidentalis distinguished by having tetra,zono-colporate pollen as well, and the results revealed the prevalence of reticulate configuration in most studies species, while Ceratonia siliqua characterized by striates configuration, Cassia fistula distinguished by verrrucate-gemmate wall, and Senna species by verrrucate- perforate, as for the shape, showed a discrepancy in the general shape fr

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