Search results for " simulations."
showing 10 items of 227 documents
Fractional calculus for the solution of non-linear stochastic oscillators with viscous dampers devices
2009
Fluid viscoelastic dampers are of great interest in different fields of engineering. Examples of their applications can be found in seismic mitigation design of structures or in vibration absorption in airplane suspension. Such devices introduce a non-linear dissipative term in the equation of motion and therefore, the solution of even a single degree of freedom system excited by a white noise process, becomes prohibitive. The solution is usually obtained by approximated methods, like the stochastic linearization technique. In this paper it is shown that, by means of fractional operators, it is possible to find the solution of oscillators provided with fluid viscoelastic devices, approachin…
Tools for studying water vapor at high temperatures
2014
1. Kinetics and Oxidation Mechanisms 1.1 Experimental Devices that Produce Water Vapor1.2 Using the Jump Method to Understand Oxidation Mechanisms and Kinetics1.3 Detection of Breakaway Oxidation with Acoustic Emission during Thermal Oxide Scale Growth 1.4 Stress Analysis during and after Oxidation 2. Characterization 2.1 Use and Potential of Environmental SEM (ESEM) in High-Temperature Oxidation and Corrosion Studies in Wet Air 2.2 In Situ X-Ray Diffraction for Water Vapor Analyses2.3 Use of Synchrotron Beam for Evaluating the Influence of Water Vapor on the Corrosion of Metallic Materials 2.4 Raman Spectrometry2.5 In Situ Steam Oxidation Chamber Coupled to XPS 2.6 Hydrogen Profiling in Ox…
Encapsulation of xenon by bridged resorcinarene cages with high 129Xe NMR chemical shift and efficient exchange dynamics
2023
Functionalized cages encapsulating xenon atoms enable highly sensitive, background-free molecular imaging through a technique known as HyperCEST 129Xe MRI. Here, we introduce a class of potential biosensor cage structures based on two resorcinarene macrocycles bridged either by aliphatic carbon chains or piperazines. First-principles-based modeling predicts a high chemical shift (about 345 ppm) outside the typical experimental observation window for 129Xe encapsulated by the aliphatically bridged cage and two 129Xe resonances for the piperazine-bridged cages corresponding to single and double loading. Based on the computational predictions as well as 129Xe chemical exchange saturation trans…
Histopathology of Skeletal Muscle in a Distal Motor Neuropathy Associated with a Mutant CCT5 Subunit: Clues for Future Developments to Improve Differ…
2023
Genetic chaperonopathies are rare but, because of misdiagnosis, there are probably more cases than those that are recorded in the literature and databases. This occurs because practitioners are generally unaware of the existence and/or the symptoms and signs of chaperonopathies. It is necessary to educate the medical community about these diseases and, with research, to unveil their mechanisms. The structure and functions of various chaperones in vitro have been studied, but information on the impact of mutant chaperones in humans, in vivo, is scarce. Here, we present a succinct review of the most salient abnormalities of skeletal muscle, based on our earlier report of a patient who carried…
CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobin
2013
Abstract: Cytoglobin (Cygb) was recently discovered in the human genome and localized in different tissues. It was suggested to play tissue-specific protective roles, spanning from scavenging of reactive oxygen species in neurons to supplying oxygen to enzymes in fibroblasts. To shed light on the functioning of such versatile machinery, we have studied the processes supporting transport of gaseous heme ligands in Cygb. Carbon monoxide rebinding shows a complex kinetic pattern with several distinct reaction intermediates, reflecting rebinding from temporary docking sites, second order recombination, and formation (and dissociation) of a bis-histidyl heme hexacoordinated reaction intermediate…
Probing a Polar Cluster in the Retinal Binding Pocket of Bacteriorhodopsin by a Chemical Design Approach
2012
Bacteriorhodopsin has a polar cluster of amino acids surrounding the retinal molecule, which is responsible for light harvesting to fuel proton pumping. From our previous studies, we have shown that threonine 90 is the pivotal amino acid in this polar cluster, both functionally and structurally. In an attempt to perform a phenotype rescue, we have chemically designed a retinal analogue molecule to compensate the drastic effects of the T90A mutation in bacteriorhodopsin. This analogue substitutes the methyl group at position C(13) of the retinal hydrocarbon chain by and ethyl group (20-methyl retinal). We have analyzed the effect of reconstituting the wild-type and the T90A mutant apoprotein…
On the zero crossing of the three-gluon vertex
2016
We report on new results on the infrared behaviour of the three-gluon vertex in quenched Quantum Chormodynamics, obtained from large-volume lattice simulations. The main focus of our study is the appearance of the characteristic infrared feature known as 'zero crossing', the origin of which is intimately connected with the nonperturbative masslessness of the Faddeev-Popov ghost. The appearance of this effect is clearly visible in one of the two kinematic configurations analyzed, and its theoretical origin is discussed in the framework of Schwinger-Dyson equations. The effective coupling in the momentum subtraction scheme that corresponds to the three-gluon vertex is constructed, revealing t…
RELAP5-3D thermal hydraulic analysis of the target cooling system in the SPES experimental facility
2014
The SPES (Selective Production of Exotic Species) experimental facility, under construction at the Italian National Institute of Nuclear Physics (INFN) Laboratories of Legnaro, Italy, is a second generation Isotope Separation On Line (ISOL) plant for advanced nuclear physic studies. The UCx target-ion source system works at temperature of about 2273 K, producing a high level of radiation (10^5 Sv/h), for this reason a careful risk analysis for the target chamber is among the major safety issues. In this paper, the obtained results of thermofluid-dynamics simulations of accidental transients in the SPES target cooling system are reported. The analysis, performed by using the RELAP5-3D 2.4.2 …
Micropollutants throughout an integrated urban drainage model: Sensitivity and uncertainty analysis
2017
Abstract The paper presents the sensitivity and uncertainty analysis of an integrated urban drainage model which includes micropollutants. Specifically, a bespoke integrated model developed in previous studies has been modified in order to include the micropollutant assessment (namely, sulfamethoxazole – SMX). The model takes into account also the interactions between the three components of the system: sewer system (SS), wastewater treatment plant (WWTP) and receiving water body (RWB). The analysis has been applied to an experimental catchment nearby Palermo (Italy): the Nocella catchment. Overall, five scenarios, each characterized by different uncertainty combinations of sub-systems (i.e…
Integrazione di celle solari di terza generazione nel vetromattone per la realizzazione di pannelli traslucidi fotovoltaici. Analisi prestazione e st…
2013
L’articolo illustra i primi risultati ottenuti nell’ambito dell’analisi prestazionale del vetromattone fotovoltaico, un prodotto edilizio innovativo derivato dall’integrazione di celle fotovoltaiche di terza generazione (DSSC) nel vetromattone, ideato per la realizzazione di involucri traslucidi energeticamente effi cienti ed “attivi”, in grado di ridurre i consumi energetici degli edifi ci e di produrre, al contempo, energia verde. L’analisi è stata condotta su quattro differenti ipotesi di integrazione. Attraverso simulazioni numeriche si è effettuata una valutazione dell’energia assorbita dagli strati attivi oltre che delle prestazioni ottiche complessive del dispositivo. Lo studio anali…