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.
Silver Indium Aluminum Selenium AgIn1xAlxSe2 AIAS for x=01 thin films was deposited by thermal evaporation at RT and different︣︢︡ ︠︣1thickness 100 150 and 200 nm on the glass Substrate and p2Si wafer to produce AIAS/p3Si heterojunctionsolarcell4 Structural optical electrical and photovoltaicproperties6 are investigated for the samples XRD analysis reveals that all the deposited AIAS films show polycrystalline structure without any change due to increase of thickness Average diameter and roughness calculated from AFM images shows an increase in its value with increasing thickness The optical absorbance and transmittance for samples are measured using a spectrometer type UV Visible 1800 spectra1photometer to study the energy6gap The
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Nanostructural cupric oxide (CuO) films were prepared on Si and glass substrate by pulsed laser deposition technique (PLD) using laser Nd:YAG, using different laser pulses energies from 200 to 600 mJ. The X-ray diffraction pattern (XRD) of the films showed a polycrystalline structure with a monoclinic symmetry and preferred orientation toward (111) plane with nano structure. The crystallite size was increasing with increasing of laser pulse energy. Optical properties was characterized by using UV–vis spectrometer in the wave lengthrange (200-1100) nm at room temperature. The results showed that the transmission spectrum decreases with the laser pulses energy increase. Sensitivity of NO2 gas at different operating temperatures, (50°C,
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Innovative various Schiff bases and their Co(II), Ni(II) and Cu(II) and Hg(II) compounds made by the condensation of 4-amino antipyrine with derived aminobenzoic acid (2-aminobenzoic acid, 3-aminobenzoic acid, and 4-aminobenzoic acid ) have been prepared by conventional approaches. These complexes were described by magnetic sensibility analysis, FT-IR spectra, and molar-conductance and elemental analysis. Analytical values appeared which the mixed-ligand complexes presented ratio about 2:1 (ligand: metal) with the chelation 4 or 6. The prepared compounds offered a good effect on the organisms; bacteria Staphylococcus-aurous, Escherichia-coli and fungi C. albicans, A. niger. Also, the biological products signalize which the mixed compl
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The Mannich base ligand was synthesized in an ethanol medium through a condensation reaction of 2-mercaptobenzimidazole and ciprofloxacin at room temperature. Subsequently, several metal complexes of this ligand were prepared. To characterize both the base ligand and the metal complexes, various techniques were employed, including elemental analysis, FT-IR spectroscopy, UV-Vis spectroscopy, molar conductivity measurements, magnetic moment determination, and melting point analysis. The results were shown that the metal complexes formed have the formula [Cr(L)2Cl2] Cl.H2O and [Rh(L)2(H2O)2] Cl3.H2O, where L= mannich base ligand. Based on spectroscopic analytical, coordination with metal ions involves the 'N' donor atom of mannich base
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Twisted tape insertion in the smooth plain tube is one of the types of passive methods that are used to enhance heat transfer. Swirl fluid flow inside the tube and related heat transfer characteristics are very complex. ANSYS FLUENT (V 16.1) and ASPEN industrial program are used in analyzing this technique for enhancement heat transfer. A circular plain tube has length L=8534mm and 17 mm inner diameter with a twisted tape of twist ratio of y = (H/D) = (150/17) =8.8 along the plain tube were considered for this study. Eight Reynolds numbers (Re) of 784, 1000, 2000, 3000, 4000, 5000, 6000 and 7000 are used to analyze the response of thermal performance. Crude oil API 28 exit temperature, film heat transfer coefficient, Nus
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Twisted tape insertion in smooth plain tube is one of types of passive methods that is used to enhance heat transfer. Swirl fluid flow inside tube and related heat transfer characteristics are very complex. ANSYS FLUENT (V 16.1) and ASPEN industrial program are used in analyzing this technique for enhancement heat transfer. A circular plain tube has length L=8534mm and 17 mm inner diameter with twisted tape has twist ratio of y = (H/D) = (150/17) =8.8 along with a plain tube were considered for this study. Eight Reynolds numbers (Re) of 784, 1000, 2000, 3000, 4000, 5000, 6000 and 7000 are used to analyze the response of thermal performance. Crude oil API 28 exit temperature, film heat transfer coefficient, Nusselt number
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The zeolite's textural properties have a significant effect on zeolite's effectiveness in the different industrial processes. This research aimed to study the textual properties of the NaX and FeX zeolites using the nitrogen adsorption-desorption technique at a constant low temperature. According to the International Union of Pure and Applied Chemistry, the adsorption-desorption isotherm showed that the studied materials were mixed kinds I/II isotherms and H3 type hysteresis. The Brunauer-Emmett-Teller isotherm was the best model to describe the nitrogen adsorption-desorption better than the Langmuir and Freundlich isotherms. The obtained adsorption capacity and Brunauer-Emmett-Teller surface area values for NaX were greater than FeX. Ac
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Abstract
Rayleigh distribution is one of the important distributions used for analysis life time data, and has applications in reliability study and physical interpretations. This paper introduces four different methods to estimate the scale parameter, and also estimate reliability function; these methods are Maximum Likelihood, and Bayes and Modified Bayes, and Minimax estimator under squared error loss function, for the scale and reliability function of the generalized Rayleigh distribution are obtained. The comparison is done through simulation procedure, t
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In this paper a comparison of the experimental of evacuated tube solar water heater systems with and without mirror flat reflector. The aim of using the reflector to improve thermal efficiency, and the data gathered which are (temperature, solar irradiation and time) for three days were compared. the results from compared data the temperature lower increase in evacuated tube solar water heater system without reflector than the temperature increase in evacuated tube solar water heater system with reflector .The results show (53, 39, 35) % for three days respectively that the evacuated tube solar water heater system with reflector has higher thermal efficiencies than the results (47, 28, 30) % for three days respectively thermal efficiencies
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