Molecular dynamics (MD) simulations were carried out in order to investigate the binding mode of axillaridine-A at the active site of human acetylcholinesterase (AChE) enzyme. 2.0 nanosecond of MD simulations was made for the protein and the complex to dynamically explore the active site and the behavior of the ligand at the peripheral AChE binding site. These calculations for the enzyme alone showed that the active site of AChE is located at the bottom of a deep and narrow cavity whose surface is lined with rings of aromatic residues and Tyr72 is almost perpendicular to the Trp286 ring and forms a stable - interaction. The size of the active site of the complex decreases with time due to increase the interaction. Axillaridine-A forms

To achieve sustainability in the field of civil engineering, there has become a great interest in developing reactive powder concrete RPC through the use of environmentally friendly materials to reduce the release of CO₂ gas produced from cement factories as well as contribute to the recycling of industrial wastes that have a great impact on environmental pollution.

In this study, reactive powder concrete was prepared using total binder content of 800 kg/m³, water to binder ratio (0.275), and micro steel fibers  1% by volume of concrete. The experimental program included replacing fly ash with (8, 12, 16) % by cement weight to find the optimal ratio, which achieved the best mechanical proper

The transfer of chemical pollutants from bottled water into water due to heat, sunlight and poor storage is one of the most serious threats to human health around the world, the objective of this study was to estimate the pH value and the transport of heavy metals from plastic bottles to water, for this purpose, 30 bottles of water for 10 local brands were collected and divided into three groups, the first was left at room temperature 25°C, The second was placed in a heat oven at 25°C and the third in another oven at 50°C for two weeks. The results showed significant differences at (P<0.05) between water samples, pH value and concentrations of heavy metals (Sb, Pb, Ni, Cu, Cr, Cd and Fe) we

New series of metal ions complexes have been prepared from the new ligand 1,5- Dimethyl-4- (5-oxohexan-2- ylideneamino) -2-phenyl- 1H-pyrazol-3 (2H)-one derived from 2,5-hexandione and 4-aminophenazone. Then, its V(IV), Ni(II), Cu(II), Pd(II), Re(V) and Pt(IV) complexes prepared. The compounds have been characterized by FT-IR, UV-Vis, mass and 1H and 13C-NMR spectra, TGA curve, magnetic moment, elemental microanalyses (C.H.N.O.), chloride containing, Atomic absorption and molar conductance. Hyper Chem-8 program has been used to predict structural geometries of compounds in gas phase, the heat of formation, (binding, total and electronic energy) and dipole moment at 298 K.

The conception and experimental assessment of a removable friction-based shear connector (FBSC) for precast steel-concrete composite bridges is presented. The FBSC uses pre-tensioned high-strength steel bolts that pass through countersunk holes drilled on the top flange of the steel beam. Pre-tensioning of the bolts provides the FBSC with significant frictional resistance that essentially prevents relative slip displacement of the concrete slab with respect to the steel beam under service loading. The countersunk holes are grouted to prevent sudden slip of the FBSC when friction resistance is exceeded. Moreover, the FBSC promotes accelerated bridge construction by fully exploiting prefabrication, does not raise issues relevant to precast co

This paper presents the application of nonlinear finite element models in the analysis of dappedends pre-stressed reinforced concrete girders under static loading by using ANSYS software. The girder dimensions are (4.90 m span, 0.40 m depth, 0.20 m width, 0.20 m nib depth, and 0.10 m nib length) and the parameters considered in this research are the pre-stress effect, and strand profile (straight and draped). The numerical results are compared with the experimental results of the same girders. The comparisons are carried out in terms of initial prestress effect, load- deflection curve, and failure load. Good agreement was obtained between the analytical and experimental results. Even that, the numerical model was stiffer than the experiment

This paper presents the application of nonlinear finite element models in the analysis of dapped-ends pre-stressed reinforced concrete girders under static loading by using ANSYS software. The girder dimensions are (4.90 m span, 0.40 m depth, 0.20 m width, 0.20 m nib depth, and 0.10 m nib length) and the parameters considered in this research are the pre-stress effect, and strand profile (straight and draped).

    The numerical results are compared with the experimental results of the same girders. The comparisons are carried out in terms of initial prestress effect, load- deflection curve, and failure load. Good agreement was obtained between the analytical and experimental results. Even that, the

Six proposed simply supported high strength-steel fiber reinforced concrete (HS-SFRC) beams reinforced with FRP (fiber reinforced polymer) rebars were numerically tested by finite element method using ABAQUS software to investigate their behavior under the flexural failure. The beams were divided into two groups depending on their cross sectional shape. Group A consisted of four trapezoidal beams with dimensions of (height 200 mm, top width 250 mm, and bottom width 125 mm), while group B consisted of two rectangular beams with dimensions of (125 ×200) mm. All specimens have same total length of 1500 mm, and they were also considered to be made of same high strength concrete designed material with 1% volume fraction of steel fiber.