Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis set and semi-empirical methods (PM3) were used to calculate the energies (total energy, binding energy (Eb), molecular orbital energy (EHOMO-ELUMO), heat of formation (?Hf)) and vibrational spectra for some Tellurium (IV) compounds containing cycloctadienyl group which can use as ligands with some transition metals or essential metals of periodic table at optimized geometrical structures.
Background: Diabetes mellitus is a major health issue that is one of the leading causes of cardiovascular disease. Recent studies have found a link between uncontrolled diabetes and cardiovascular disease, with dyslipidaemia predicting glycated-hemoglobin (HbA1c), which could be a major contributor to type 2 diabetes complications and etiology.
Objectives: The objective of present study was estimate lipid profiles among control and uncontrolled type 2 diabetic patients.
Subjects and Methods: Analytical case control based study, One hundred twenty participate were included in study, 70 patients with DM as case group refer to Abuagala Center and difference follow up diabetic center and 50 non diabetic subjects taken as
... Show MoreThe analysis of rigid pavements is a complex mission for many reasons. First, the loading conditions include the repetition of parts of the applied loads (cyclic loads), which produce fatigue in the pavement materials. Additionally, the climatic conditions reveal an important role in the performance of the pavement since the expansion or contraction induced by temperature differences may significantly change the supporting conditions of the pavement. There is an extra difficulty because the pavement structure is made of completely different materials, such as concrete, steel, and soil, with problems related to their interfaces like contact or friction. Because of the problem's difficulty, the finite element simulation is
... Show MoreIn this paper, a dynamic investigation is done for strip, rectangular and square machine foundation at the top surface of two-layer dry sand with various states (i.e., loose on medium sand and dense on medium sand). The dynamic investigation is performed numerically using finite element programming, PLAXIS 3D. The soil is expected as a versatile totally plastic material that complies with the Mohr-Coulomb yield criterion. A harmonic load is applied at the base with an amplitude of 6 kPa at a frequency of (2 and 6) Hz, and seismic is applied with acceleration – time input of earthquake hit Halabjah city north of Iraq. A parametric study is done to evaluate the influence of changing L/B ratio (Length=12,6,3 m and width=3 m), type of sand
... Show MoreThis study presents experimental and numerical investigations on seven one-way, reinforced concrete (RC) slabs with a new technique of slab weight reduction using polystyrene-embedded arched blocks (PEABs). All slabs had the same dimensions, steel reinforcement, and concrete compressive strength. One of these slabs was a solid slab, which was taken as a control slab, while the other six slabs were cast with PEABs. The main variables were the ratio of the length of the PEABs to the length of the slab (lp/L) and the ratio of the height of the PEABs to the total slab depth (hP/H). The minimum decrease in the ultimate load capacity was about 6% with a minimum reduction in the slab weight of 15%. In contrast, the maximum decrease in the
... Show MoreDipeptidyl peptidase-4 DPP-4 inhibition has remained one of the most established ways in treating type 2 diabetes mellitus. Therefore, the development of improved DPP-4 inhibiters is consideredan essential strategy in the design of antidiabetic drugs. In the present study, a structure-based virtual approach was considered to design and evaluate new sitagliptin analogues with improved binding stability and pharmacokinetic properties. A virtual library consisting of 15,034 different compounds was created and then screened using a hierarchical Glide docking protocol (HTVS, SP, and XP). Using integrated computational analyses, the top ranked compounds were further assessed. Based on ADMET predictions, MM-GBSA binding free energy
... Show MoreBackground: Aggressive global pandemics such as COVID-19 can disrupt societies tragically, imposing a suspension to almost every field throughout the world; the orthodontic treatment and follow-up is no exemption. Objectives: To provide practical recommendations about resuming treatment for orthodontic patients during the “Return-to-Practice” phase and emphasize the validity of certain digital interceptive measures post global pandemics to minify the risk of infection spread. Materials and Methods: Sources of information pertaining to orthodontic/therapeutic implications during the COVID-19 pandemic were searched using electronic databases including COVID-19 Open Research Dataset (CORD-19 2020), Google Scholar, Scopus, PubMed, M
... Show MoreThe growing emphasis on sustainable construction has prompted interest in repurposing agricultural by-products as alternatives to conventional aggregates in asphalt mixtures. While natural sand is widely available, its use can lead to less stable, more tender mixes, which can limit various specifications. This study explores the potential of palm date seed (PDS) powder as a partial and full replacement for natural sand in asphalt concrete. A series of laboratory tests was conducted to evaluate the effect of PDS incorporation on the mechanical and durability performance of asphalt mixtures, including Marshall properties, resilient modulus, fatigue resistance, moisture susceptibility, and permanent deformation. Additionally, microstructural a
... Show MoreBackground: Oral cancer is a highly lethal and disfiguring disease. Squamous cell carcinoma of the oral cavity constitutes about 90% of all oral malignancies. The aims of the study was to achieve an epidemiological description of the oral squamous cell carcinoma in Iraq in general and in Iraqi governorates except Kurdistan region retrospectively during period 2001-2013 Materials and Methods: Data were collected from department of oral and maxillofacial pathology, college of dentistry, university of Baghdad, Nuclear medicine and radiotherapy hospital, Iraqi cancer registry center, Main hospitals in Baghdad and Iraqi governorates, Private labs. for histopathological examinations. The descriptive and inferential statistical methods were used
... Show More