Predicting explosion parameters is an important step when planning for blast tests or the design of blast resistant buildings. This paper presents a comparison of recorded pressure that was reflected on the surface of reinforced concrete slabs with and without EPS (Expanded Polystyrene) foam retrofit measured from a detonation of 2.7 kg of non-confined plastic explosive. Two 50 MPa reinforced concrete slabs measuring 1.0x1.0x0.08 m, simply supported on two sides were tested. The explosive was suspended at a distance of 2.0 m from the upper surface of the slabs; one of the slabs had 5.0 cm thick foam on the top side. Eight piezoelectric pressure sensors were positioned at a distance of 2.0 m from the explosive. Results showed that the foam retrofit reduced the reflected pressure by approximately 57% when compared to the slab without EPS foam retrofit.
With the spread of the coronavirus in all countries of the world and in the absence of a vaccine or effective treatment to inhibit the infection. Several medicinal plants are used by the Moroccan population either to treat or prevent infection. The frequent use of its plants without documentation of their effectiveness on the Covid-19 is justified by cultural and economic reasons and their pharmacological activity scientifically proven. The objective of this study is to evaluate the inhibitory effect of the main polyphenols and flavonoids of Syzygium aromaticum and citrus limon as well as the main organosulfur compounds of garlic against coronavirus 6lu7 protease and 6y2e protease using in-silico molecular docking analysis.The COVID-19 3CLpro/Mpro (PDB ID: 6LU7) and free enzyme of the SARS-CoV-2 (2019- nCoV) main protease (PBD ID: 6Y2E) structures were obtained from the https://www.rcsb.org/ website in .PDB format. The COVID-19 3CLpro/Mpro (PDB ID: 6LU7) and main protease (PBD ID: 6Y2E) were prepared using autodock tools from MGL Tools package http://mgltools.scripps.edu/. The reactive molecular dynamics simulations were performed using the software LAMMPS and the ReaxFF force field. In this force field, the general energy functionWe have docked 34 natural products belonging to the three medicinal plants. In 6LU7 protease, 24 compounds exhibited a binding affinity greater than or equal to -6 Kcal/mol. While, in 6Y2E protease, 6 compounds exhibited a binding affinity greater than or equal to -6 Kcal/mol.We found that ellagic acid, narirutin, neoeriocitrin and neohesperidin are highly suggested as an inhibitor of SARS-COV-2.
The combustion process of triethylaluminum is investigated by means of reactive molecular dynamics simulations using the ReaxFF force field. The behavior of the system in five different temperatures ranging from 2000-4000 K was evaluated. As a pyrophoric material, TEA reacts also with water, generating gaseous hydrogen, whose content increases with the system temperature. Rapid water formation and O 2 depletion were observed and, using Arrhenius equation, the preexponential factor and activation energy were found to be 9.67E+09 s -1 and 1.242 kJ mol -1 , respectively. The results obtained are in accordance to the expected for pyrophoric materials and the simulation in question can help elucidating and analyzing the complex reaction mechanism of TEA combustion.
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