The current study deals with host-guest complex formation between cucurbit [7] urils as host and lansoprazole as guesti using PM3 (semi empirical molecules orbital calculations) also DFT calculations. In this complex, the formation of hydrogen bonding may be occurred through portal oxygen atoms(O2) of cucurbit [7] urils and amine groups (NH 2 )of the drug. The energies of HOMO and LUMO orbital’s have been computed for the host guest complex and its components. The result of the stabilization energy explained a complex formation.

Columns subjected to pure axial load rarely exist in practice. Reinforced concrete columns are usually subjected to combination of axial and lateral actions and  deformations, caused by  spatially‐complex loading patterns as during earthquakes causes lateral deflection that in turn affects the horizontal stiffness. In this study, a numerical model was developed in threedimensional nonlinear finite element and then validated against experimental results reported in the literatures,
to investigate the behavior of conventionally RC columns subjected to axial load and  . lateral reversal cyclic loading. To achieve this goal, numerical analysis was conducted by using finite element program ABAQUS/Explicit. The variables co

Background: The aim of this national oral health survey was to determine the prevalence of malocclusions due to some anomalies in the dentition among the 13 years old Kurdish students in sulaimani intermediate school. Materials and methods: The total sample was 950 (455 males and 495 females) which assessed by diagnostic set and special instrument. The clinical examination was mainly based on the definitions of Björk et al. Some variables were recorded as present or absent sometimes denoting the tooth or the teeth involved in malocclusion and their distribution according to the whole sample. Results: The results showed that 1)The most common extracted tooth was the mandibular first molar (2.9%). 2) At this age group the most common partial

This Paper aims to plan the production of the electrical distribution converter (400 KV/11) for one month at Diyala Public Company and with more than one goal for the decision-maker in a fuzzy environment. The fuzzy demand was forecasting using the fuzzy time series model. The fuzzy lead time for raw materials involved in the production of the electrical distribution converter (400 KV/11) was addressed using the fuzzy inference matrix through the application of the matrix in Matlab, and since the decision-maker has more than one goal, so a mathematical model of goal programming was create, which aims to achieve two goals, the first is to reduce the total production costs of the electrical distribution converter (400 KV/11) and th

The danger of the attacks of 9/11 in America, mainly on the WorldTrade Center at Ground Zero, had brought America into a position thatnever seen before. People who lived there faced a historical calamity marked a turning point in history and a beginning of a new era. Thepaper examines the behavior of traumatized individuals in relation tosociety that trauma involves both. The socio cultural approach willachieve the goal. It studied the responses of the individuals to the event and the motives behind these reactions. Don DeLillo, a member of apost 9/11 group of writers, an American novelist of Italian origin, through his portrayal of the characters, tries to present a vivid image t

A new ligand complexes have been synthesis from reaction of metal ions of Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II), Pd(II) and Pt(II) with schiff base LH. 5-[(2-Hydroxy-naphthalen-1-ylmethylene)-amino]-2-phenyl-2,4-dihydro-pyrazol-3-one, this ligand was characterized by Fourier transform infrared (FTIR), UV-vis, 1H, 13CNMR, and mass spectra. All complexes were characterized by techniques micro analysis C.H.N, UV-vis and FTIR spectral studies, atomic absorption, chloride content, molar conductivity measurements and magnetic susceptibility. The ligand acts as bidentate, coordination through nitrogen atom from azomethin group and deprotonated phenolic oxygen atom. The spectroscopic and analytical measurements showed that

This paper deals with the thirteenth order differential equations linear and nonlinear in boundary value problems by using the Modified Adomian Decomposition Method (MADM), the analytical results of the equations have been obtained in terms of convergent series with easily computable components. Two numerical examples results show that this method is a promising and powerful tool for solving this problems.