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Hydrodesulfurization of Thiophene over $γ$-Mo2N catalyst
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Catalytic removal of the S-content from thiophene is a central step in efforts aiming to reduce the environmental burdens of transportation fuels. In this contribution, we investigate the hydrodesulfurization (HDS) mechanisms of thiophene (C4H4S) over γ-Mo2N catalyst by means of density functional theory (DFT) calculations. The thiophene molecule preferentially adsorbs in a flat mode over 3-fold fcc nitrogen hollow sites. The HDS mechanism may potentially proceed either unimolecularly (direct desulfurization) or via H-assisted reactions (hydrogenation). Due to a sizable activation barrier required for the first Csingle bondS bond scission of 54.6 kcal/mol, we predict that the direct desulfurization to contribute rather very insignificantly in the HDS mechanism. Transfer of adsorbed hydrogen atoms on the γ-Mo2N surface to the thiophene ring substantially reduces activation barrier required in the Csingle bondS bond scission to only 24.1 kcal/mol in a process that affords an adsorbed C4H6* species and an S atom. Further hydrogenation of the unsaturated C4H6* produces 2-butene. Kinetics and thermodynamics attributes dictate the occurrence of partial rather than full hydrogenation of C4H6*. Calculated rate constants for all individual steps could be utilized to construct a robust kinetic model for the overall HDS process. Estimated conversion values of thiophene predict 50–70% consumption of thiophene at 700 K and low values of gas hourly space velocities. Reaction routes and kinetic parameters provided herein are useful to design stand-alone γ-Mo2N-based catalysts for applications entailing partial hydrogenation and hydrodesulfurization of severely contaminated S-fuels.

Publication Date
Fri Aug 28 2020
Journal Name
International Journal Of Molecular Sciences
Δ9-Tetrahydrocannabinol Prevents Mortality from Acute Respiratory Distress Syndrome through the Induction of Apoptosis in Immune Cells, Leading to Cytokine Storm Suppression
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Acute Respiratory Distress Syndrome (ARDS) causes up to 40% mortality in humans and is difficult to treat. ARDS is also one of the major triggers of mortality associated with coronavirus-induced disease (COVID-19). We used a mouse model of ARDS induced by Staphylococcal enterotoxin B (SEB), which triggers 100% mortality, to investigate the mechanisms through which Δ9-tetrahydrocannabinol (THC) attenuates ARDS. SEB was used to trigger ARDS in C3H mice. These mice were treated with THC and analyzed for survival, ARDS, cytokine storm, and metabolome. Additionally, cells isolated from the lungs were used to perform single-cell RNA sequencing and transcriptome analysis. A database analysis of human COVID-19 patients was also performed t

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Publication Date
Tue Mar 01 2016
Journal Name
Journal Of Pharmaceutical Sciences
Development and Evaluation of Biodegradable Particles Coloaded With Antigen and the Toll-Like Receptor Agonist, Pentaerythritol Lipid A, as a Cancer Vaccine
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Publication Date
Wed Sep 24 2025
Journal Name
International Journal Of Environmental Analytical Chemistry
Mesoporous activated carbon from eggshell waste via H₃PO₄ chemical activation and its application in the removal of Janus Green B dye
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The main objective of this study was to evaluate the adsorption efficiency of two adsorbent materials, Iraqi chicken eggshells (ESh) and activated carbon (AC) derived from ESh powder for the removal of a cationic dye (Janus green B; JGD) from aqueous solution. Activated carbon was synthesised from ESh using a simple chemical activation method using phosphoric acid as the activating agent. The physicochemical properties of the adsorbents were characterised by the Brunauer–Emmett–Teller (BET) method, FT-IR spectroscopy, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), inductively coupled plasma optical emission spectroscopy (ICP-OES), and point of zero charge (pHpzc). The results of BET analysis confirmed th

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Publication Date
Wed Sep 24 2025
Journal Name
International Journal Of Environmental Analytical Chemistry
Mesoporous activated carbon from eggshell waste via H₃PO₄ chemical activation and its application in the removal of Janus Green B dye
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The main objective of this study was to evaluate the adsorptionefficiency of two adsorbent materials, Iraqi chicken eggshells (ESh)and activated carbon (AC) derived from ESh powder for theremoval of a cationic dye (Janus green B; JGD) from aqueoussolution. Activated carbon was synthesised from ESh usinga simple chemical activation method using phosphoric acid asthe activating agent. The physicochemical properties of the adsor-bents were characterised by the Brunauer–Emmett–Teller (BET)method, FT-IR spectroscopy, scanning electron microscopy(SEM), energy-dispersive X-ray spectroscopy (EDS), inductivelycoupled plasma optical emission spectroscopy (ICP-OES), andpoint of zero charge (pHpzc). The results of BET analysis confirmedthat AC has

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Publication Date
Wed Apr 22 2026
Journal Name
Environmental Earth Sciences
Transboundary hydrogeology and controlling factors of euphrates water chemistry: Insights from hydrochemistry, stable isotopes, and residence times in Syria and Western Iraq
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Arid and semi-arid climates are critical for water security in sustainable river systems. The Euphrates River in western Iraq has been increasingly stressed by both geogenic and anthropogenic factors. This study analyzed hydro-geochemical processes, recharge dynamics, and groundwater flow modeling in western Iraq. Additionally, stable isotope tracing (δ¹⁸O, Cl⁻) integrated with hydro-chemical parameters was used to assess water quality and river-aquifer connectivity in both Syria and western Iraq. A total of 144 groundwater samples were collected annually across 12 stations in western Iraq. Surface water and groundwater data were collected from previous studies at 13 stations in Syria. Results revealed slightly alkaline freshwater con

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Publication Date
Mon May 01 2023
Journal Name
Human Gene
The G allele of the ADAM33 T1 polymorphism (rs2280091) is a risk factor associated with asthma severity among the Iraqi Arab population
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Background: The gene encoding a disintegrin and metalloproteinase domain 33 (ADAM33) is known to be associated with asthma in different ethnic groups. In Iraq, among the Arab ethnic background, this association has not yet been highlighted. Methods: One hundred and ninety-two asthmatics were examined; 118 males and 74 females (mean age 38.23 ± 9.13 years). The control group was 183; 110 males and the rest were females. The SNP of rs2280091 A/G (T1) was studied here to determine adam33 genotyping status using polymerase chain reaction–restriction fragment length polymorphism (PCR–RFLP). The level of total IgE was measured using enzyme-linked immunosorbent assay (ELISA). Results: Significant differences (p = 0.004) in the frequencies of

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Publication Date
Sun Jan 02 2022
Journal Name
Journal Of The College Of Languages (jcl)
The Argumentative Elements Of Discours In The Plague For Albert Camus: Les éléments argumentatifs dans le discours de La Peste d’Albert Camus
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Argumentation is not a contemporary, yet a deep rooted intellectual phenomenon dates back to Romans and Greeks times. The argumentative elements ,the author is trying to convey to the reader, are  linguistic procedures aim at persuading and being persuaded of what is true. The present study traces, through Camus’ novel The plague, the best method to construct argumentative techniques used to express the author’s deep philosophies.

Résumé        

          L’argumentation n’est pas un phénomène intellectuel nouveau, ses origines reviennent aux savants grecs et romains. Elle est une act

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Publication Date
Tue Sep 08 2020
Journal Name
Baghdad Science Journal
Using Real-Time PCR to Investigate Some of Antibiotic Resistance Genes from Streptococcus agalactiae Isolates from ewe Mastitis cases in Nineveh province
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In this study, from a total of 856 mastitis cases in lactating ewes, only 34 Streptococcus agalactiae isolates showed various types of resistance to three types of antibiotics (Penicillin, Erythromycin and Tetracycline). St. agalactiae isolates were identified according to the standard methods, including a new suggested technique called specific Chromogenic agar. It was found that antibiotic bacterial resistance was clearly identified by using MIC-microplate assay (dilution method). Also, by real-time PCR technique, it was determined that there were three antibiotics genes resistance ( pbp2b, tetO and mefA ). The high percentage of isolate carried of a single gene which was the Tetracycline (20.59%) followed by percentage Penicillin was

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Publication Date
Tue Jun 17 2025
Journal Name
Baghdad Science Journal
Synthesis and Biological Study of Schiff–Mannich Base Derived from 2-Mercaptobenzimidazole as Chelated Tridentate Ligand with Some Transition Metal Ions Complexes
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To prepare a new ligand, many compounds were used to synthesize Schiff-Mannich base, such as isatin, Para chloro Aniline, 2-mercaptobenzimidazole and indole. The resulting compound 1-((2-((1H-indol-1-ylthio)-1H-benzo[d]imidazol1-yl)methyl)-3-(4-chlorophenylimino)indolin-2-one (L). (L) was used to create a series of metal ion complexes with Co (II), Ni (II), Cu (II), Pd (II), Pt (IV), and Au (III). C.H.N.S., FTIR, mass spectra UV-ViS, 1H-NMR, 13CNMR, magnetic moment, and molar conductivity were used to characterize all of these compounds. Except for the palladium(II) and gold(III) complexes, all of the produced complexes had an octahedral geometry, according to the data. The antibacterial activity of the produced compounds was tested by usin

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Publication Date
Sun Jan 01 2023
Journal Name
Materials Science In Semiconductor Processing
A dual S-scheme g-C3N4/Fe3O4/Bi2WO6/Bi2S3 heterojunction for improved photocatalytic decomposition of methylene blue: Proposed mechanism, and stability studies
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