Preferred Language
Articles
/
LxZKyogBVTCNdQwCzoKC
Reaction paths and transition states of the C-C and C-H bond cleavage in the aromatic anthracene and phenanthrene molecules
...Show More Authors

The reaction paths of the C-C and C-H bond cleavage in the anthracene and phenanthrene aromatic molecules are studied by applying the ab-initio DFT method. It is found that the C-C bond cleavage proceeds via a singlet aromatic transition state, compelled through a disrotatoric ring opening reaction. A suprafacial H atom shift follows the transition state, leading to the formation of a methylene -CH2 and an acetylenic or allenic moiety. The calculated activation energies for anthracene range from 158.81-208.90 kcal/mol and the reaction energies from 96.106-156.976 kcal/mol. For phenanthrene, the energy values are 157.39-202.34 kcal/mol and 62.639-182.423 kcal/mol, respectively. For the C-H cleavage reactions, the calculated reaction energies for all C-H bonds in both molecules are almost similar, 116-117 kcal/mol. The activation energy values for anthracene and phenanthreneare 149.75-161.27 and 161.24-163.00 kcal/mol, respectively.

Crossref
View Publication
Publication Date
Mon Mar 01 2021
Journal Name
Journal Of Physics: Conference Series
Maxwellian-Averaged Neutron Capture Cross-Sections and Thermonuclear Reaction Rates for 56,57,58Fe, 59Co, And 60Ni Isotopes at Astrophysical Energies
...Show More Authors
Abstract<p>Initially-produced isotopes during the course of the <italic>s</italic>-process have a significant impact on the continuity and branching network of this process. Such isotopes can undergo various neutron capture mechanisms, of which (n, <italic>γ</italic>) is important. In this research, the direct, thermal, and Maxwellian-averaged cross section (MACS), as well as the astrophysical reaction rates of the radiative neutron-capture reactions, were calculated for <sup>56,57,58</sup>Fe, <sup>59</sup>Co, and <sup>60</sup>Ni isotopes. At kinetic energies between kT = 0.037 and 482.3 keV, corresponding to astrophysical temperature in the ran</p> ... Show More
View Publication
Scopus (1)
Scopus Crossref
Publication Date
Sun Jul 01 2018
Journal Name
Journal Of Global Pharma Technology
Synthesis, Characterization and Investigation Liquid Crystalline, Properties of 1, 2, 3-triazole Derivatives via Cycloaddition Reaction
...Show More Authors

The new of compounds synthesized by sequence reactions starting from a reaction of 3-phenylenediamine or 4-phenylenediamine with chloroacetyl chloride to produce the compounds [I]a,b, then the compounds[I]a,b reacted with sodium azide to yield compounds[II]a,b that reacted 1,3-dipolarcycloaddition reaction with acrylic acid to give compounds [III]a,b these compounds reacted with methanol led to ester compounds[IV]a,b then reacted with hydrazine to give acid hydrazide [V]a,b . Finally compounds [V]a,b reacted with aromatic aldehydes to product shiff bases derivatives. The compounds characterized by mp. , IR, 1HNMR in addition to mass spectroscopy for some of them the liquid crystals properties were studied by using polarized optical microsco

... Show More
Scopus (2)
Scopus
Publication Date
Tue Sep 08 2020
Journal Name
Baghdad Science Journal
Modified BFGS Update (H-Version) Based on the Determinant Property of Inverse of Hessian Matrix for Unconstrained Optimization
...Show More Authors

The study presents the modification of the Broyden-Flecher-Goldfarb-Shanno (BFGS) update (H-Version) based on the determinant property of inverse of Hessian matrix (second derivative of the objective function), via updating of the vector s ( the difference between the next solution and the current solution), such that the determinant of the next inverse of Hessian matrix is equal to the determinant of the current inverse of Hessian matrix at every iteration. Moreover, the sequence of inverse of Hessian matrix generated by the method would never  approach a near-singular matrix, such that the program would never break before the minimum value of the objective function is obtained. Moreover, the new modification of BFGS update (H-vers

... Show More
View Publication Preview PDF
Scopus (11)
Crossref (11)
Scopus Clarivate Crossref
Publication Date
Sat Oct 03 2026
Journal Name
Journal Of Baghdad College Of Dentistry
Effect of different acids surface treatments and thermocycling on shear bond strength of composite resin to feldspathic ceramic
...Show More Authors

Background: the aim of this study was to evaluate the effect of different surface acids treatments (37%phospjoric acid, 5%hydrofluoric acid, 1.23 acidulated phosphate fluoride) of feldspathic ceramic VITA 3D MASTER , and the effect of thermocycling on shear bond strength using a ceramic repair kit (ivoclar/vivadent). Material and Methods: sixty Nickel-Chromium metal base plates were prepared(9mm diameter,3mm depth) using lost wax technique, 2mm thick layer of ceramic(VITA 3D MASTER) fused to metal plates, all specimens were embedded in acrylic resin blocks except their examined surfaces and divided into 3 main groups 20 specimens each, Grp A: treatment with 37%phosphoric acid for 2 mins, Grp B: etching with 5% hydrofluoric acid for 2mins,

... Show More
View Publication Preview PDF
Publication Date
Sun Jan 01 2023
Journal Name
Dental Hypotheses
Effect of Dentin Surface Pretreatment With Chitosan Nanoparticles on Immediate and Prolonged Shear Bond Strength of Resin Composite: An in Vitro Study
...Show More Authors

View Publication
Scopus (3)
Crossref (2)
Scopus Clarivate Crossref
Publication Date
Thu Mar 25 2021
Journal Name
International Journal Of Drug Delivery Technology
Spectrophotometric Estimation of the Lansoprazole by Oxidative Coupling Reaction with 2, 4-Dinitrophenyl Hydrazine
...Show More Authors

ABSTRACT A simple, accurate, sensitive, and low-cost technique was advanced to measure the optical spectrum to the determination of lansoprazole in pure form and dosage forms. The method relies on the oxidation of the reagent 2,4-dinitrophenylhydrazine (2,4-DNPHz) with potassium periodate (KIO4) and coupling with the Lansoprazole (LPZ) in the alkaline medium to form a stable with reddish-brown colored dye with a maximum greatest absorption at 484.5 nm. The reaction is carefully completed when optimizing the variable affecting it. The concentration range from 1-30 μg/mL obegs Beer’s law and the molar absorptivity value of (13260.132) L/mol.cm. Detection limit was (0.1266 μg/mL) and Sandell’s sensitivity value ( 0.0278) μg/cm2. The met

... Show More
Publication Date
Tue Sep 30 2014
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Environmental Assessment of Polycyclic Aromatic Hydrocarbon Concentrations in Air at Thermal South Power Station of Baghdad
...Show More Authors

Sixteen polycyclic aromatic hydrocarbons (PAHs) concentrations were measured in aerosol samples collected for the period from April 2012 to February 2013 at thermal south power station of Baghdad. Fourty one aerosol sample were extracted with (1:1) dichloromethane and methanol using soxhlet for seventeen hour. The extraction solution was analyzed applying GC/MS. The PAH concentrations outside thermal south power station were higher than those inside it, and higher in summer season than in winter. Naphthalene, pyrene, Anthracene, Indeno [1, 2, 3-cd] pyrene and Phenanthrene were the most abundant PAHs detected in all points at the site sampling. The total polycyclic aromatic hydrocarbon (TPAH) and total suspended particles (TSP) concentrat

... Show More
View Publication Preview PDF
Publication Date
Mon Jun 30 2025
Journal Name
Zanin Journal Of Science And Engineering
Preparation and Spectral Characteristics of Various Transition Metal Complexes with Novel Azo-dye Based on Tryptamine.
...Show More Authors

Novel azo ligand based on tryptamine, and its metal complexes with antioxidant properties were synthesized through chemical methods and characterized through various techniques, including IR, Mass, UV-Vis spectroscopy, elemental analysis, conductivity, magnetic sensitivity, and thermogravimetric analysis. According to the IR spectra of the complexes, the azo-ligand, [5-(2-(3H- 1-indol-3-yl) ethyl) diazenyl) quinolin-8-ol] coordinates with metal ions through the nitrogen atom in the quinoline ring and the oxygen atom of the hydroxyl group. Thermal analysis techniques were employed to investigate the thermal behavior of the compounds. The results revealed that the metal complexes possess higher thermal stability compared to the free ligand. T

... Show More
Publication Date
Sun Mar 02 2014
Journal Name
Baghdad Science Journal
Preparation and Characterization of Some Transition Metal Complexes with ( N ,S ,O) New Schiff Base Ligand
...Show More Authors

The New Schiff base ligand 4,4'-[(1,1'-Biphenyl)-4,4'-diyl,bis-(azo)-bis-[2-Salicylidene thiosemicarbazide](HL)(BASTSC)and its complexes with Co(II), Ni(II), and Cu(II) were prepared and characterized by elemental analysis, electronic, FTIR, magnetic susceptibility measurements. The analytical and spectral data showed, the stiochiometry of the complexes to be 1:1 (metal: ligand). FTIR spectral data showed that the ligand behaves as dibasic hexadentate molecule with (N, S, O) donor sequence towards metal ions. The octahedral geometry for Co(II), Ni(II), and Cu(II) complexes and non electrolyte behavior was suggested according to the analysis data.

View Publication Preview PDF
Crossref
Publication Date
Thu Oct 10 2019
Journal Name
Open Access Macedonian Journal Of Medical Sciences
Are Histopathological Changes of H. pylori Infection in Young Dyspeptic Patients Necessitate Endoscopy?
...Show More Authors

BACKGROUND: Helicobacter pylori is an important gastrointestinal infective bacteria with many serious complications including gastric erosions and ulceration, duodenal ulcer, gastric carcinoma and MALT gastric lymphoma. The gastric biopsy is commonly performed in H. pylori-positive dyspeptic individuals, and many previous researchers studied the histopathological features of infected gastric biopsies however little previous studies focused on the histopathological findings in young population in comparison to the older one. AIM: To make a focus on the histopathological effects of H. pylori infection in young patients compared with the older one and predicts the need for endoscopy in this population, also to estimates the prevalence of

... Show More
View Publication Preview PDF
Scopus (3)
Crossref (2)
Scopus Crossref