This study has three parts, the first one is the synthesis of a novel Schiff bases by the condensation of guanine or 9-[{2-hydroxyethoxy}methyl]-9H-guanine with variety aldehydes to yield four different bases as follows: (E)-2-((4-nitrobenzylidene)amino)-1,9-dihydro-6H-purin-6-one (S1), (E)-2-((4-methoxybenzylidene)amino)-1,9-dihydro-6H-purin-6-one (S2), (E)-2-((2-hydroxybenzylidene) amino)-9-((2-hydroxy ethoxy)methyl)-1,9-dihydro-6H-purin-6-one (S3), and (E)-2-(((9-((2-hydroxy ethoxy)methyl)-6-oxo-6,9-dihydro-1H-purin-2-yl)imino)methyl)benzoic acid (S4). Then, spectroscopic analyses such as Elemental Analysis, UV/VIS, Mass spectra, FTIR, 1H,13C-NMR were made to recognize these bases. In the second part, the ability of synthesized bases to undergo a charge transfer reaction was examined in an ethanolic solution at 28℃ with Iodine (I2) and 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) acceptors. The nonbonding interactions were studied using Benesi–Hildebrand method to estimate the stability parameters for all formed charge transfer complexes. The results of CT-energies and Gibbs free energies (ΔG˚) confirmed the stability of these complexes, and all complexes follow the Benesi–Hildebrand equation. The results showed that the DDQ-complexes have an affinity constant ranging from (916.6–24,400) mol−1.L higher than the affinity constant of I2-complexes which ranges from (428.5–7000) mol−1.L. Moreover, the KCT of S2 > S1 and KCT of S4 > S3 were as follows [1222.2 for S1-I2, 4333.3 for S1-DDQ, 2812.5 for S2-I2, 4800 for S2-DDQ] and [3809.5 for S3-I2, 12,200 for S3-DDQ, 7000 for S4-I2, 24,400 for S4-DDQ] due to the specific properties of each compound. The direct energy gap (Egdir) of each complex was also obtained by applying Tauc's method. Iodine complexes with S1, S2, S3, S4, as well as S1-DDQ displayed energy gaps equal to (5.14, 5.11, 4.61, 4.51, and 3.90) eV, respectively, and are likely to act as insulators. In contrast, the DDQ complexes of (S2/S3/S4) bases exhibited Egdir values at (2.85–2.24) electron volts which makes them suitable for semiconductor material usage. Finally, the third part of this work included a theoretical study using DFT/B3LYP/3-21G method to illustrate and prove the experimental findings, which were consistent with the theoretical results.
The new Hexadentate complexes type [M(H3L3)]K were prepared from the condensation reaction of Diphenylmonoxime and KOH with (Mn(II), Co(II), Ni(II), Cu(II), Zn(II), and Hg(II)) in methanol with 3:1 ligand : metal ratio to give a series of new complexes of the general formula [M(H3L3)]K (where: M(II) = Mn ,Co ,N ,Cu ,Zn and Hg).All compounds have been Characterized by spectroscopic methods [I.R, U.v-Vis, atomic absorption and microanalysis (C.H.N) along with conductivity measurements. The stability constant K and Gibbs free energy ∆G were calculated for [Co (H3L3)] K, [Ni (H3L3)] K and [Cu (H3L3)] K and complexes using spectrophotometer method. The obtained values indicate that these complexes stable in their solution. From the above data
... Show MoreThis paper deals with two preys and stage-structured predator model with anti-predator behavior. Sufficient conditions that ensure the appearance of local and Hopf bifurcation of the system have been achieved, and it’s observed that near the free predator, the free second prey and the free first prey equilibrium points there are transcritical or pitchfork and no saddle node. While near the coexistence equilibrium point there is transcritical, pitchfork and saddle node bifurcation. For the Hopf bifurcation near the coexistence equilibrium point have been studied. Further, numerical analysis has been used to validate the main results.
Background: The prevention of the enamel demineralization at the periphery of the brackets is a significant challenge to orthodontic professionals. The aim of this clinical study was to compare the Streptococcus mutants count in the plaque surrounding two orthodontic adhesive types, Fuji Ortho LC and Enlight (Ormco). Materials and methods: A total of 13 patients (7 male and 6 female) needing fixed orthodontic appliance therapy were participated. A split mouth technique was followed with appliances bonded by two orthodontic adhesive types, Fuji Ortho LC and Enlight (Ormco). Saliva was collected before placement of appliances (T0) and again at three weeks (T1) and six weeks (T2) after placement of appliances. Plaque was collected from areas a
... Show MoreThis paper presents a vibration suppression control design of cantilever beam using two piezoelectric patches. One patch was used as an actuator element, while the other was used as a sensor. The controller design was designed via the balance realization reduction method to elect the reduced order model that is most controllable and observable. the sliding mode observer was designed to estimate six states from the reduced order model but three states are only used in the control law. Estimating a number of states larger than that used is in order to increase the estimation accuracy. Moreover, the state estimation error is proved bounded. An optimal LQR controller is designed then using the estimated states with the slid
... Show MoreBackground: Type 2 diabetes mellitusand chronic periodontitis hold a close relationship that has been the focus of many researches. Currently there is an appreciation to the role of adipose tissue-derived substances "the adipokines" in immune-inflammatory responses; also, there is an interest in using the simple non-invasive saliva in diagnosing and linking oral and general health problems. The current study aims to determine the periodontal health status in the chronic periodontitis patients with and without poorly or well controlled type 2 diabetes mellitus, measure the salivary levels of two adipokines "leptin and resistin", pH and flow rate and then correlate between these clinical periodontal, biochemical and physical parameters in eac
... Show MoreBackground This study establishes a mathematically consistent and computational framework for the simultaneous identification of two time-dependent coefficients in a one-dimensional second-order parabolic partial differential equation. The considered problem is governed by nonlocal initial, boundary, and integral overdetermination conditions. Methods The direct problem is solved using the Crank-Nicolson finite difference method (FDM), which ensures unconditional stability and second-order accuracy in both spatial and temporal discretizations. The corresponding inverse problem is reformulated as a nonlinear regularized least-squares optimization problem and efficiently solved used the MATLAB subroutine
... Show MoreThe filler in the asphalt mixture is essential since it plays a significant role in toughening and stiffening the asphalt. Changes in filler type can lead the asphalt mixtures to perform satisfactorily during their design life or degrade rapidly when traffic and environmental effects are considered. This study aims to assess the impact of filler types such as limestone dust (LS) and hydrated lime (HL) on Marshall characteristics and moisture damage in asphalt mixtures. Three different percentages of HL were employed in this study to partially replace the LS mineral filler: 1.5, 2.0, and 2.5% by aggregate weight. Furthermore, a control mixture was created with 7% LS by overall aggregate weight for the wearing course layer. The Marsha
... Show MoreSchiff Base And Ligand Metal Complexes of Some Amino Acids and Drug