Enol-Keto tautomerism in 1-[(E)-1,3-benzothiazol-2-ylazo]naphthalen-2-ol has been studied using the B3LYP functional of density functional theory (DFT) with 6-31G(d,p) basis set. Relative and absolute energies, transition state geometries (TS), dipole moments, entropies, enthalpies and Gibbs free energies, equilibrium constants (KT) and rate of tautomerization (kr) were calculated. Also, the computations of geometries and vibration frequencies for the tautomers were calculated and compared. The results of the calculations showed that the enol form is the most stable form than other isomers, this might be due to intra-hydrogen bonding. The TS1 activation energies for tautomer A ↔ B, tautomer A ↔ C and tautomer B ↔ C are 92.65, 199.56 and 225.71 kJ/mol respectively. The TS1 is lower than TS2 by 102 kJ/mol, showing that A ↔ B and B ↔ C paths are thermodynamic control and A ↔ C path is a kinetic control. The overall calculated KT ≈ 1, indicating that all tautomers present in significant proportions.
Two new ligands Na2[ H3B (BDIA)].0.05H2O (L1)(BDIA = 1-Boranyl-2,3-
Dihydro-1H-Indol-3-yl)]Acetic Acid and Na3[H2B(BDIA)2].0.3H2O.0.3CH3Ph (L2)
were synthesized by reaction of NaBH4 with indole -3- acetic acid (IAA) . The
coordination properties of ligands were studied with Co(II) , Ni(II) , Cu(II) and
Pt(IV) ions. Characterization and structural aspects of the prepared compounds were
elucidated by 1HNMR, FTIR electronic spectra, magnetic susceptibility, elemental
and metal analysis, thermal analysis (TG & DTG) and conductivity measurements.
The obtained data for metal complexes suggested square planar geometry for
copper complexes, octahedral geometry for nickel and platinium complexes and
tetrahedral geom
This paper is a review of the genus Sitta in Iraq, Five species of this genus are recognized
Sitta kurdistanica, S. neumayr, S. europaea, S.dresseri and S. tephronota. Geographical
distribution and systematic nots were given for separation and identification, also some notes
on nest building and nest sites of S. tephronota supporting by figures are presented.
The purpose of the study is to identify the teaching techniques that mathematics' teachers use due to the Brain-based learning theory. The sample is composed of (90) teacher: (50) male, (40) female. The results have shown no significant differences between male and female responses' mean. Additionally, through the observation of author, he found a lack of using Brain-based learning techniques. Thus, the researcher recommend that it is necessary to involve teachers in remedial courses to enhance their ability to create a classroom that raise up brain-based learning skills.
Voting is one of the most fundamental components of a democratic society. In 2021 Iraq held the Council of Representatives (CoR) elections in 83 electoral constituencies in 19 governorates. Nonetheless, several significant issues arose during this election, including the problem of logistics distribution, the excessively long period of ballot counting, voters can't know if their votes were counted or if their ballots were tampered with, and the inconsistent regulation of vote counting. Blockchain technology, which was just invented, may offer a solution to these problems. This paper introduces an electronic voting system for the Iraq Council of Representatives elections that is based on a prototype of the permission hyperledger fabr
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José Echegaray, dramaturgo español, obtuvo premio Nóbel de literatura en (1904), político, orador, economista y dramaturgo. Con su obra "El gran Galeoto" en 1881, llegó a la cumbre de la popularidad.
Henrik Ibsen, dramaturgo noruega, creador del drama moderno, por sus obras realistas que abordan problemas psicológicos y sociales. Y a que fue el iniciador del teatro de tesis del teatro social. Ibsen, dramaturgo noruega, cuya obra influyó notablemente en el teatro europeo de finales del s. XIX y principios del XIX ; en gran parte en la obra de Echegaray, Galdós (1) y Benavente (2).
Los presentes autores empezaron sus producciones bajo el romanticismo que fue poco a poco añadiendo ideas del naturalismo y el realismo dramátic
José Echegaray, dramaturgo español, obtuvo premio Nóbel de literatura en (1904), político, orador, economista y dramaturgo. Con su obra "El gran Galeoto" en 1881, llegó a la cumbre de la popularidad.
Henrik Ibsen, dramaturgo noruega, creador del drama moderno, por sus obras realistas que abordan problemas psicológicos y sociales. Y a que fue el iniciador del teatro de tesis del teatro social. Ibsen, dramaturgo noruega, cuya obra influyó notablemente en el teatro europeo de finales del s. XIX y principios del XIX ; en gran parte en la obra de Echegaray, Galdós (1) y Benavente (2).
Los presentes autores empezaron sus producciones bajo el romanticismo que fue poco a poco añadiendo ide
... Show MoreThe research aims to identify small and medium enterprises in accounting thought in terms of definition and concept, and this international financial reporting standard for small and medium-sized enterprises (SMEs) in the theoretical aspect. As for the practical aspect, the small and medium-sized enterprises standard has been applied to the financial statements of the company in question, the preparation of the opening entry on the date of the transition, the requirements of measurement and the accounting disclosure on the date following the application of the standard, and the preparation of the company's financial statements and the accompanying explanations according to the standard of small and medium-sized enterprises. The r
... Show MoreThis paper aims to deal with the understanding of the properties of the molecular gas hydrogen in the extragalactic spirals sample. It is critical to make observations of CO (J = 1-0) line emission for spiral galaxies, particularly those with an energetic nucleus. In the sample of spiral galaxies compiled, a carbon monoxide CO (1-0) emission line can be observed. This sample of galaxies' gas kinematics and star-forming should be analyzed statistically utilizing appropriate atomic gas HI, molecular gas H2, infrared (1μm-1000μm), visual (at λblue-optical=4400A0), and radio spectrum (at νradio=1.4 GHz and 5GHz) databases. STATISTICA is software that allows us to perform this statistical analysis. The presence of a high scale of s
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PARP-1 is a protein enzyme with a major role in DNA repair that is overexpressed in many malignancies. It is correlated with susceptibility and metastasis to lymph nodes in gastric cancer (GC). The objective of the present investigation is to estimate PARP1 expression in patients with gastric cancer and detected if it could be used as a predictive marker. Furthermore, we aimed to find the correlation between PARP1 expression and clinicopathological parameters, such as gender, age, invasion depth, histopathological type, involvement of lymph nodes, grade, and stages of GC. This is a retrospective study from the period 2018-2020. Fifty randomly selected subjects (10 normal and 40 GC) were examined for formalin-fixe
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