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Reaction pathways and transition states of the C-C and C-H bond cleavage in the aromatic pyrenemolecule - A Density Functional study
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The activation and reaction energies of the C-C and C-H bonds cleavage in pyrene molecule are calculated applying the Density Functional Theory and 6-311G Gaussian basis. Different values for the energies result for the different bonds, depending on the location of the bond and the structure of the corresponding transition states. The C-C bond cleavage reactions include H atom migration, in many cases, leading to the formation of CH2 groups and H-C≡C- acetylenic fragments. The activation energy values of the C-C reactions are greater than 190.00 kcal/mol for all bonds, those for the C-H bonds are greater than 160.00 kcal/mol. The reaction energy values for the C-C bonds range between 56.497 to 191.503 kcal/mol. As for the C-H cleavage reactions the activation energies range from 163.535 to 165.116 kcal/mol, the reaction energies are nearly constant, 117.500kcal/mol. The geometries of the transition states and reaction products are discussed too.

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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)
NEW RECORDS OF FREE-LIVING PROTOZOA (SARCODINA) FROM BAGHDAD CITY, IRAQ
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Studies in Iraq that concerned identification of free-living Protozoa (sarcodina) are scarce; so the current study deals with these protozoan communities inhabiting the Tigris River in Baghdad City. Sampling collection stations have been selected at each of AL-Gheraiˈat and AL-Adhamiyah area adjacent to the river. Monthly intervals sampling with three samples were collected from each station from June to September 2020. Total of 23 sarcodina taxa were listed, out of them 5 taxa were new record to the Tigris River in Baghdad: Difflugia urceolata Carter, 1864 (Arcellinida, Difflugiidae), Heleopera perapetricola Leidy, 1879 (Arcellinida, Heleoperidae), Rhaphidiophrys pallida F.E. Schulze, 1874 (Centrohelida, Raphidiophridae), Saccamoeba sp

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Publication Date
Wed Dec 01 2010
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
ON SOME SPECIES OF TUBULIFEROUS THRIPS (THYSANOPTERA: PHLAEOTHRIPIDAE) FROM BAGHDAD, IRAQ
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Twelve species of Tubuliferous thrips, of the family Phlaeothripidae had been reported from Iraq. Two of these were reported previously, Haplothrips cerealis Priesner, by El-Haidari and Daoud 1971 and Haplothrips tritici kurdjumov by Al-Ali 1977 and the rest were recorded for the first time: these are Haplothrips hukkineni Priesner; Haplothrips subtilissimus (Haliday); Haplothrips reuteri Karny; Haplothrips jasonis Priesner; Haplothrips sallloumensis Priesner; Haplothrips pharao Priesner; Phlaeothrips sycomri Priesner; Karnyothrips flavipus (Jones); Karnyothrips melaleucus (Bagnall); Dolicholepta micrurus (Bagnall). Number of insec

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Publication Date
Wed Sep 18 2024
Journal Name
Karbala International Journal Of Modern Science
Synthesis of ZnO: ZrO2 Nanocomposites Using Green Method for Medical Applications
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Publication Date
Tue Jun 01 2021
Journal Name
Iop Conference Series: Earth And Environmental Science
Implementation of hierarchically porous zeolite-polymer membrane for Chromium ions removal
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Abstract<p>This work deals with the preparation of a zeolite/polymer flat sheet membrane with hierarchical porosity and ion-exchange properties. The performance of the prepared membrane was examined by the removal of chromium ions from simulated wastewater. A NaY zeolite (crystal size of 745.8 nm) was prepared by conventional hydrothermal treatment and fabricated with polyethersulfone (15% PES) in dimethylformamide (DMF) to obtain an ion-exchange ultrafiltration membrane. The permeate flux was enhanced by increasing the zeolite content within the membrane texture indicating increasing the hydrophilicity of the prepared membranes and constructing a hierarchically porous system. A membrane contain</p> ... Show More
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Publication Date
Wed Jun 01 2022
Journal Name
Journal Of Engineering Science And Technology
THERMAL PERFORMANCE OF MULTIPLE- PASS SOLAR AIR HEATER WITH PIN FINS
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Publication Date
Tue Sep 08 2020
Journal Name
Baghdad Science Journal
Removal of Amoxicillin from Water by Adsorption on Water Treatment Residues
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The presence of residual antibiotics in water results in the development of antibiotics resistant genes. The available wastewater treatment systems are not capable of removing such antibiotics from sewage. Thus, antibiotics need to be removed before the discharge of wastewater. Adsorption is among the promising techniques for the wastewater treatment to aid the removal of a wide range of organic and inorganic pollutants. The present work is a contribution to the search for an economical method for the removal of low concentrations of amoxicillin (AMX) from water by adsorption on water treatment residue, WTR, taken from a local drinking water facility. The chemical composition and the adsorptive characteristics of the material were first

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Publication Date
Sat Jan 01 2022
Journal Name
Civil Engineering Journal
Rehabilitation of Hybrid RC-I Beams with Openings Using CFRP Sheets
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This research presents an experimental investigation of the rehabilitation efficiency of the damaged hybrid reinforced concrete beams with openings in the shear region. The study investigates the difference in retrofitting ability of hybrid beams compared to traditional beams and the effect of two openings compared with one opening equalized to two holes in the area. Five RC beams classified into two groups, A and B, were primarily tested to full-failure under two-point loads. The first group (A) contained beams with normal weight concrete. The second group (hybrid) included beams with lightweight concrete for web and bottom flange, whereas the top flange was made from normal concrete. Two types of openings were considered in this s

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Publication Date
Fri Nov 25 2022
Journal Name
Tem Journal
Preparing of ECG Dataset for Biometric ID Identification with Creative Techniques
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The Electrocardiogram records the heart's electrical signals. It is a practice; a painless diagnostic procedure used to rapidly diagnose and monitor heart problems. The ECG is an easy, noninvasive method for diagnosing various common heart conditions. Due to its unique advantages that other humans do not share, in addition to the fact that the heart's electrical activity may be easily detected from the body's surface, security is another area of concern. On this basis, it has become apparent that there are essential steps of pre-processing to deal with data of an electrical nature, signals, and prepare them for use in Biometric systems. Since it depends on the structure and function of the heart, it can be utilized as a biometric attribute

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Publication Date
Fri Sep 01 2023
Journal Name
Journal Of Environmental Management
Treatment of vegetable oil refinery wastewater by sequential electrocoagulation-electrooxidation process
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Publication Date
Sat Apr 01 2023
Journal Name
Journal Of Engineering
Manufacture of Load Bearing Concrete Masonry Units Using Waste Demolishing Material
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The presence of construction wastes such as clay bricks, glass, wood, plastic, and others in large quantities causes serious environmental problems in the world. Where these wastes can be used to preserve the natural resources used in construction and reduce the impact of this problem on the environment, it also works to reduce the problem of high loads of concrete blocks. Clay bricks aggregate (AB) can be recycled as coarse aggregate and replaced with volumetric proportions of coarse aggregate by ( 5% and 10%), as well as the use of clay brick powder (PB) by replacing its weight of cement (5% and 10%) and reduced in the manufacture of concrete blocks (blocks). Four mixtures will be prepared and tested to learn how to re

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