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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
Sat Aug 02 2025
Journal Name
Engineering, Technology & Applied Science Research
Analytical and Theoretical Development of Load-Moment Interaction Diagrams of Rectangular CFRP-RC Columns
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Carbon Fiber-Reinforced Polymer (CFRP) bars have several advantages over traditional steel reinforcement, including low density, erosion resistance, and higher tensile strength. The ACI 440.11-22 code permits CFRP as reinforcement; however, there are limited experimental studies on its application in Reinforced Concrete (RC) columns under combined loads. This study utilized theoretical analysis and Finite Element Analysis (FEA) to investigate 25 square slender concrete columns (kL/r = 17) affected by concentric and eccentric loads, examining variables, like CFRP bar contribution, eccentricity-to-depth ratio, and reinforcement arrangement. The results demonstrated CFRP's effectiveness in these columns, with failure modes varying from

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Publication Date
Thu Feb 26 2026
Journal Name
Aip Conference Proceedings
Effect of reusing plastic waste material on general behaviour of soils and its properties
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The use of the plastic waste material to stabilize soil is step in the right direction making the construction industry a suitable candidate with its high consumption capacity. The method would be a reliable alternative to traditional ground improvement technique. It would be cost effective, sustainable and environmentally friendly. In this review paper, the behaviour of reinforced soil with plastic waste would be discussed including its suitability for pavement and road construction. The previous literature highlighted by authors will be reviewed in focus on type of treated soil, nature, shape, geometry, and amount of the added plastic waste. The aim of this review is to investigate the effect of granules and fibre plastic waste materials

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Publication Date
Wed Jan 01 2025
Journal Name
Journal Of Governance And Regulation
The impact of corporate governance and audit quality on value relevance of accounting information
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This study aims to investigate the relationship between corporate governance (CG) and audit quality (AQ) in the adequacy of the value relevance of accounting information (VRAI). The study sample included Iraqi firms listed on the Iraqi Stock Exchange (ISE) from 2010 to 2022. Nineteen firms were a research sample selected from 44 firms listed on the ISE. They chose to use the model (Ohlson, 1995) in measuring VRAI, which is based on measuring the absolute value of the level of value relevance to earnings per share (EPS) the absolute value of the book value suitability level VRAI. CG was measured through five factors: board size, gender of board members, independence of the board from the chief executive officer (CEO), ownership perce

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Publication Date
Wed Aug 01 2018
Journal Name
International Journal Of Hydrogen Energy
Synergistic effects and optimization of photo-fermentative hydrogen production of Rhodobacter sphaeroides DSM 158
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Publication Date
Sun Sep 01 2019
Journal Name
Baghdad Science Journal
Evaluation of Physical Chemical and Biological Characteristics of Underground Wells in Badra City, Iraq
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The quality of groundwater should be improved by keeping safe water sources from contaminants in protective way by doing regular measuring and checkup before it supplied for usage. Private Wells do not receive the same services that wells supplying the public do. Well owners are responsible for protecting their drinking water. This work was carried out in Badra city, Iraq from December 2017 to May 2018, six wells water were investigated to determine the general characteristics of wells as well as studying the effect of environmental factors on the quality of water. The average of six wells were eleven parameters that is out of permissible limits were EC, Sal., Alk., TH, TDS, Na, Ca, Cl, SO4, Fe, Zn (4402-5183 /cm, 2.76-3.9 ppt

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Publication Date
Mon Jan 01 2018
Journal Name
Springer Series In Geomechanics And Geoengineering
Improvement of Unconfined Compressive Strength of Soft Clay by Grouting Gel and Silica Fume
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Publication Date
Tue Dec 20 2022
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
ECOLOGY OF LEECHES AND GASTROPODS OF THE LOWER AK-BUURA RIVER, FERGANA VALLEY,UZBEKISTAN
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This study was conducted on species composition, morphology, ecological characteristics, biotope distribution, ecological groups, biodiversity indicators and zoogeography of leeches and gastropods distributed in the lower Ak-Buura River. According to the results, it was found that 7 species of leeches belonging to 4 families and 6 genera and 10 species of fresh-water gastropods belonging to 3 families and 6 genera live in the lower Ak-Buura River. In the river, it was observed that leeches are mainly distributed in muddy biotopes, and gastropods are widespread in muddy, stony and sandy biotopes with a lot of plants. Biodiversity indices of leeches and gastropods in the Ak-Buura River were analyzed using the Shannon index. As a result, it

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Publication Date
Tue Mar 29 2022
Journal Name
Journal Of The Mechanical Behavior Of Materials
Prediction of bearing capacity of driven piles for Basrah governatore using SPT and MATLAB
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Based on the results of standard penetration tests (SPTs) conducted in Al-Basrah governorate, this research aims to present thematic maps and equations for estimating the bearing capacity of driven piles having several lengths. The work includes drilling 135 boreholes to a depth of 10 m below the existing ground level and three standard penetration tests (SPT) at depths of 1.5, 6, and 9.5 m were conducted in each borehole. MATLAB software and corrected SPT values were used to determine the bearing capacity of driven piles in Al-Basrah. Several-order interpolation polynomials are suggested to estimate the bearing capacity of driven piles, but the first-order polynomial is considered the most straightforward. Furthermore, the root means squar

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Publication Date
Wed Mar 18 2020
Journal Name
Baghdad Science Journal
Biomarker Significance of Serum CXCL8, CXCL10 and CXCL16 in Breast Tumors of Iraqi Patients
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The biomarker significance of three chemokines (CXCL8, CXCL10 and CXCL16) was evaluated in sera of 45 breast cancer (BC) and 28 benign breast lesion (BBL) patients, as well as 20 control women. Clinical stage and tumor expression of estrogen (ER), progesterone (PgR) and human epidermal growth factor receptor-2 (HER-2) receptors were considered in this evaluation. The results demonstrated that CXCL8, CXCL10 and CXCL16 showed a significant increased median in BC and BBL patients compared to control (CXCL8: 47.3 and 25.7 vs. 15.0; CXCL10: 37.6 and 30.7 vs. 13.1; CXCL16; 27.9 and 25.2 vs. 19.2 pg/ml, respectively). The increased levels of CXCL8 and CXCL16 were more pronounced in triple-negative and HER-2 positive p

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Publication Date
Sat Jun 01 2024
Journal Name
Results In Control And Optimization
Impact of wind flow and global warming in the dynamics of prey–predator model
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