12 membered Schiff base macrocyclic ligands, 6,7,14,15-tetra phenyl-1,2,3,4, 4a,8a, 9,10, 11,12, 12a,16a-dodecahydro dibenzo [b,h] [1,4,7,10] tetraazacyclododecine L1, and 14 membered Schiff base macrocyclic ligands, 6,8,15,17-tetramethyl-1,2,3,4, 4a,7,9a, 10,11,12,13,13a,16,18a-tetra decahydro dibenzo[b,i] [1, 4,8,11] cyclotetradecine tetraaza L2, 7,16-bis(2,4- dichloro benz ylidene)-6,8,15,17-tetra methyl-1,2,3,4, 4a,7,9a, 10, 11,12, 13, 13a,16,18a-tetra deca hydro dibenzo [b,i] [1,4,8,11] tetra azacyclo tetra decine L3 and 6,8,15, 17-tetramethyl-1,2,3, 4,4a,9a,10, 11,12,13,13a,18a-dodecahydro dibenzo [b,i] [1,4,8, 11] tetraazacyclo tetradecine (7,16-diylidene) bis(methanylyli dene) bis (N,N-dimethylaniline) L4 were synthesized by condensation reaction between diketone and aliphatic diamines. The metal complexes of the types, [ML1Cl2], [ML2Cl2], [ML3Cl2] and [ML4Cl2] [M= Co(II), Ni(II), Cu(II), Mn(II), Hg(II), and Fe(II)] were prepared by interaction of ligands, L1, L2, L3 and L4 with metal(II) ions. The ligands and their complexes were characterized by elemental analysis, magnetic susceptibility, conductivity measurements and IR, 1H and 13C NMR, UV–Vis spectral studies. The thermal stability of the complexes was also studied by TGA analyses. These studies show that all the complexes have octahedral arrangement around the metal ions. We used CB-Dock, a novel blind docking technique that aims to improve docking precision. With the aid of the cutting-edge docking program Autodock Vina, software online, molecular docking studies were used to evaluate the biological significance of the synthesized ligands and identify the probable and efficient binding mechanisms between the various ligands and the active site of the receptor protein. Affinity binding of both Ligand L3 and L4 to Penicillin binding protein 2x (chain B) with PDB 1PYY were much better than to Penicillin binding protein 2B (chain A) with PDB 1WAE due to the presence of hydrogen and halogen bonds. Therefore, they can be more recommended for drug design study to inhibit bacterial growth due their bioavailability. The biological activities of all compounds were evaluated like in-vitro antioxidant activity or percentage free radical scavenging effect via DPPH method against standard ascorbic acid and in vitro anticancer activity via MTT assay against colon cancer cell lines. Results of the biological activities showed that complex CuL3Cl2 exhibited the highest anti-cancer activity against colon cancer cell line i.e. 70.72±6.3 μg/ml among other copper complexes whereas compound CuL3Cl2 showed best antioxidant activity against ascorbic acid i.e. 75.07±1.96 μg/ml. While the biological activities showed that complex CuL4Cl2 exhibited the highest anti-cancer activity against colon cancer cell line i.e. 42.05±7.4 μg/ml among other copper complexes whereas compound CuL4Cl2 showed best antioxidant activity against ascorbic acid i.e. 65.47±1.37 μg/ml.
Viscosity is one of the most important governing parameters of the fluid flow, either in the porous media or in pipelines. So it is important to use an accurate method to calculate the oil viscosity at various operating conditions. In the literature, several empirical correlations have been proposed for predicting crude oil viscosity. However, these correlations are limited to predict the oil viscosity at specified conditions. In the present work, an extensive experimental data of oil viscosities collected from different samples of Iraqi oil reservoirs was applied to develop a new correlation to calculate the oil viscosity at various operating conditions either for dead, satura
... Show MoreAcceptable Bit Error rate can be maintained by adapting some of the design parameters such as modulation, symbol rate, constellation size, and transmit power according to the channel state.
An estimate of HF propagation effects can be used to design an adaptive data transmission system over HF link. The proposed system combines the well known Automatic Link Establishment (ALE) together with variable rate transmission system. The standard ALE is modified to suite the required goal of selecting the best carrier frequency (channel) for a given transmission. This is based on measuring SINAD (Signal plus Noise plus Distortion to Noise plus Distortion), RSL (Received Signal Level), multipath phase distortion and BER (Bit Error Rate) fo
... Show MoreThis investigation reports application of a mesoporous nanomaterial based on dicationic ionic liquid bonded to amorphous silica, namely nano-N,N,N′,N′-tetramethyl-N-(silican-propyl)-N′-sulfo-ethane-1,2-diaminium chloride (nano-[TSPSED][Cl]2), as an extremely effectual and recoverable catalyst for the generation of bis(pyrazolyl)methanes and pyrazolopyranopyrimidines in solvent-free conditions. In both synthetic protocols, the performance of this catalyst was very useful and general and presented attractive features including short reaction times with high yields, reasonable turnover frequency and turnover number values, easy workup, high performance under mild conditions, recoverability and reusability in 5 consecutive runs without lo
... Show MoreThe study area comprises Injana Formation (Late Miocene), exposed on the hills nearby of Tharthar Lake and about 120 km north of Baghdad city. This study depends on sedimentologic and facies analysis to recognize paleoenvironment and recognize the kinds of vertebrate bone fossils during Late Miocene. Sedimentologic and facies analysis showed many sedimentary facies: facies (Se) of scoured erosional surface, facies of (Sp) cross- bedded sandstones, facies (Fs) of fine sandstone facies, facies of (Fc) claystone, and facies of (C) calcareous clay. Facies analysis referred to the sub environments which are: point bar, over bank and floodplain in addition to fining upward cycles of deposition, which refers to meandering flu
... Show MoreIn the current worldwide health crisis produced by coronavirus disease (COVID-19), researchers and medical specialists began looking for new ways to tackle the epidemic. According to recent studies, Machine Learning (ML) has been effectively deployed in the health sector. Medical imaging sources (radiography and computed tomography) have aided in the development of artificial intelligence(AI) strategies to tackle the coronavirus outbreak. As a result, a classical machine learning approach for coronavirus detection from Computerized Tomography (CT) images was developed. In this study, the convolutional neural network (CNN) model for feature extraction and support vector machine (SVM) for the classification of axial
... Show MoreThe formation of a Schiff-base with N2O2 donor atoms derived from the hydrazine segment and its metal complexes are reported. The Schiff-base ligand; N’-((1R,2S,4R,5S,Z)-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)furan-2-carbohydrazide (HL) was prepared from the reaction of furan-2-carbohydrazide with (1R, 2R, 4R, 5S)-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one (M1) in ethanol medium. The reaction of the title ligand with selected metal ions Cr(III), Mn(II), Ni(II), Cu(II), Zn(II) and Cd(II) gave complexes with the general formula [M(L)Cl2], (where: M = Cr(III), Mn(II), Ni(II), Cu(II), Zn(II) and Cd(II)). Spectroscopic analyses Fourier transform infrared (FT-IR), Nuclear Magnetic Resonance (NMR) Carbon-13 nuclear magnetic res
... Show MoreAbstract. This study presents experimental and numerical investigation on the effectiveness of electrode geometry on flushing and debris removal in Electrical Discharge Drilling (EDD) process. A new electrode geometry, namely side-cut electrode, was designed and manufactured based on circular electrode geometry. Several drilling operations were performed on stainless steel 304 using rotary tubular electrodes with circular and side-cut geometries. Drilling performance was characterized by Material Removal Rate (MRR), Electrode Wear Rate (EWR), and Tool Wear Ratio (TWR). Dimensional features and surface quality of drilled holes were evaluated based on Overcut (OC), Hole Depth (HD), and Surface Roughness (SR). Three-dimensional
... Show MoreThis study addresses quantum computers as one of the most significant contemporary technological transformations that promise to reshape the future of global computing. It aims to clarify the conceptual foundations of quantum computing and to identify the fundamental differences between quantum and classical computers in terms of processing mechanisms, computational speed, and the ability to solve highly complex problems. The study focuses on key concepts such as the qubit, superposition, and entanglement, highlighting their role in enabling computational capabilities that exceed the limits of classical computing. It also discusses the future applications of quantum computers in areas such as cryptography, artificial intelligence, big data
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