Search results for " mechanics."
showing 10 items of 5002 documents
Structural contribution of intravascular blood distension to lung mechanics
2013
Modelling cardiac mechanics of left ventricular noncompaction
2020
Left ventricular noncompaction (LVNC) can be defined as a cardiomyopathy characterised by a pattern of prominent trabecular structure and deep intertrabecular recesses, that is thought to be caused by an arrest of normal endomyocardial morphogenesis. Using patient-specific computational modelling, we assessed the cardiac mechanics of five patients with LVNC and compared myocardial stress and pump performance to those of healthy controls. Findings shown that patients with LVNC have impaired left ventricular (LV) function, making it possible that the lack of fibre shortening of noncompacted layer can determine poor heart function. Pronounced end-systolic wall stress on left ventricular wall o…
2021
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent for the COVID-19 pandemic, which generated more than 1.82 million deaths in 2020 alone, in addition to 83.8 million infections. Currently, there is no antiviral medication to treat COVID-19. In the search for drug leads, marine-derived metabolites are reported here as prospective SARS-CoV-2 inhibitors. Two hundred and twenty-seven terpene natural products isolated from the biodiverse Red-Sea ecosystem were screened for inhibitor activity against the SARS-CoV-2 main protease (Mpro) using molecular docking and molecular dynamics (MD) simulations combined with molecular mechanics/generalized Born surface area b…
Testing the Dispersion of Nanoparticles in a Nanocomposite with an Ultra-Low Fill Content Using a Novel Non-Destructive Evaluation Technique
2022
A non-destructive evaluation (NDE) technique capable of testing the dispersion of nanoparticles in a nanocomposite would be of great use to the industry to check the quality of the products made and to ensure compliance with their specifications. Very few NDE techniques found in the literature can evaluate the level of dispersion of the nanoparticles in the whole nanocomposite. Here, a recently developed NDE technique based on pulsed phase thermography (PPT) in transmission mode was used to assess the particle dispersion in ultra-low, less than 0.05 wt%, Ag enriched polymeric based nanocomposite manufactured with an innovative nano-coating fragmentation technique. The phasegrams obtained wi…
Scanning Tunneling Spectroscope Use in Electrocatalysis Testing
2010
Published version of an article from the journal: Materials (1996-1944). Also available from publisher: http://dx.doi.org/10.3390/ma3063675 The relationship between the electrocatalytic properties of an electrode and its ability to transfer electrons between the electrode and a metallic tip in a scanning tunneling microscope (STM) is investigated. The alkaline oxygen evolution reaction (OER) was used as a test reaction with four different metallic glasses, Ni78Si8B14, Ni70Mo20Si5B5, Ni58Co20Si10B12, and Ni25Co50Si15B10, as electrodes. The electrocatalytic properties of the electrodes were determined. The electrode surfaces were then investigated with an STM. A clear relationship between the…
From 1D coordination polymers to Metal Organic Frameworks by the use of 2-pyridyl oximes.
2020
The synthesis and characterization of coordination polymers and metal&ndash
A microstructure based mechanical model for planar fibrous scaffolds.
2010
Cardiac valve and myocardium tissue regeneration has consistently raised interest for cell-seeded/microintegrated planar fibrous scaffolds. Electrospun constructs, decellularized tissues and collagen/fibrin gels often show a similar microstructure mainly characterized by the fibrous network topology. Microstructure based mechanical modeling enable fabrication parameters and scaffolds morphology to be related to mesomacro mechanical response. A novel approach to (1) characterize the material fibers network microarchitecture, (2) reproduce stochastically equivalent fiber network models, and (3) predict the mechanical response at meso-macro level is presented in this work. Electron micrographs…
Nodular cast iron fatigue lifetime in cyclic plane bending
2012
The fatigue behavior of a component is strongly dependent on the material and its surface condition. Therefore, the manner in which the surface is prepared during component manufacturing (surface roughness, residual stresses etc.) has a decisive role in dictating the initiation time for fatigue cracks. The fatigue behavior of the same material, a nodular cast iron, with three different surface conditions (fine ground, sand blast and as-cast) has been investigated under cyclic plane bending. The results show differences in fatigue strength, which are associated with the surface conditions. The characteristics of the surface layers of the different test specimens were examined by metallograph…
On the volumetric response of a compacted clay subjected to wetting and drying cycles
2009
Experimental evidence on the volumetric response of a compacted clay was collected in controlled suction oedometric tests, with the aim to assess the volumetric response of this soil when subjected to wetting and drying cycles. The overall soil behaviour seems mainly to depend on the double structural arrangement observed in the compacted specimens. Selected results are presented and discussed focusing on the influence of the stress history on the volumetric response. Test results are simulated by a double-structure suction-dependent elasto-plastic constitutive model, in which the mechanical response is related to micro and macrostructural deformations and their mutual interactions. The pro…
Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening.
2015
In drug discovery the reliable prediction of binding free energies is of crucial importance. Methods that combine molecular mechanics force fields with continuum solvent models have become popular because of their high accuracy and relatively good computational efficiency. In this research we studied the performance of molecular mechanics generalized Born surface area (MM-GBSA), molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), and solvated interaction energy (SIE) both in their virtual screening efficiency and their ability to predict experimentally determined binding affinities for five different protein targets. The protein-ligand complexes were derived with two different app…