Search results for "Simulation."
showing 10 items of 4779 documents
A synthetic derivative of antimicrobial peptide holothuroidin 2 from mediterranean sea cucumber (Holothuria tubulosa) in the control of Listeria mono…
2019
Due to the limited number of available antibiotics, antimicrobial peptides (AMPs) are considered antimicrobial candidates to fight difficult-to-treat infections such as those associated with biofilms. Marine environments are precious sources of AMPs, as shown by the recent discovery of antibiofilm properties of Holothuroidin 2 (H2), an AMP produced by the Mediterranean sea cucumber Holothuria tubulosa. In this study, we considered the properties of a new H2 derivative, named H2d, and we tested it against seven strains of the dangerous foodborne pathogen Listeria monocytogenes. This peptide was more active than H2 in inhibiting the growth of planktonic L. monocytogenes and was able to interf…
1-methil-3H-pyrazolo[1-2-a]benzo[1-2-3-4]tetrazin-3-ones, design synthesis and biological activity of new antitumoral agents
2005
1-Methylpyrazolo[1,2-a]benzo[1,2,3,4]tetrazin-3-ones 4, synthesized in good to excellent yields, were designed as novel alkylating agents because of their peculiar chemical behavior. All derivatives showed antiproliferative activity against more than 50 types of tumor cell lines with GI50 reaching sub-micromolar values. SAR studies revealed that the presence of a chlorine atom is well-tolerated in both positions 8 and 9, whereas in the case of the methyl group, switching from the 8 to the 9 position gives rise to the most active compound of the series, 4g, either for the number of cell lines inhibited and for selectivity against leukaemia and renal cancer subpanels. COMPARE and 3D-MIND comp…
Molecular dynamics of electrosprayed water nanodroplets containing sodium bis(2-ethylhexyl)sulfosuccinate
2013
The behavior of aqueous solutions of sodium bis(2-ethylhexyl)sulfosuccinate (AOTNa) subject to electrospray ionization (ESI) has been investigated by molecular dynamics (MD) simulations at three temperatures (350, 500 and 800 K). We consider several types of water nanodroplets containing AOTNa molecules and composed of a fixed number of water molecules (1000), N(AOT)(0) AOT(-) anions (N(AOT)(0) = 0, 5, 10) and N(Na)(0) sodium ions (N(Na)(0) = 0, 5, 10, 15, 20): in a short time scale (less than 1 ns), the AOTNa molecules, initially forming direct micelles in the interior of the water nanodroplets, are observed in all cases to diffuse nearby the nanodroplet surface, so that the hydrophilic …
Simulating Secularities: Challenges and Opportunities in the Computational Science of (Non)Religion
2021
This article provides scholars of nonreligion and secularism with an introduction to some of the major opportunities and challenges associated with the growing application of computational methods to the phenomena they study. It also illustrates these opportunities and challenges by describing several overlapping research projects and some of the models of (non)religion they have produced. Finally, the article addresses some of the significant philosophical issues surrounding the use of computer modeling and simulation, focusing on the ethical and epistemological concerns that these tools often raise. I invite scholars of nonreligion to consider adding these techniques to their methodologic…
Dust environment of an airless object: A phase space study with kinetic models
2016
Abstract The study of dust above the lunar surface is important for both science and technology. Dust particles are electrically charged due to impact of the solar radiation and the solar wind plasma and, therefore, they affect the plasma above the lunar surface. Dust is also a health hazard for crewed missions because micron and sub-micron sized dust particles can be toxic and harmful to the human body. Dust also causes malfunctions in mechanical devices and is therefore a risk for spacecraft and instruments on the lunar surface. Properties of dust particles above the lunar surface are not fully known. However, it can be stated that their large surface area to volume ratio due to their irr…
Photochemistry of oxidized Hg(I) and Hg(II) species suggests missing mercury oxidation in the troposphere.
2020
8 pags., 5 figs., 2 tabs.
Optimal recovery of a radiating source with multiple frequencies along one line
2020
We study an inverse problem where an unknown radiating source is observed with collimated detectors along a single line and the medium has a known attenuation. The research is motivated by applications in SPECT and beam hardening. If measurements are carried out with frequencies ranging in an open set, we show that the source density is uniquely determined by these measurements up to averaging over levelsets of the integrated attenuation. This leads to a generalized Laplace transform. We also discuss some numerical approaches and demonstrate the results with several examples.
Apport de l’analyse d’un espace transfrontalier à travers la modélisation et la simulation du développement urbain. Le cas Strasbourg – Kehl
2017
National audience; Étudier et comprendre les processus de changement d’occupation du sol en général, quel qu’en soit le contexte présente une base nécessaire à l’appréhension des divers champs de recherche (changement climatique, imperméabilisation des sols, préservation des écosystèmes, aménagement urbain,mobilité résidentielle et quotidienne, qualité du cadre vie, etc). Le développement urbain est un point particulier qui attire l’attention par les enjeux qu’il représente(socio-économiques, politiques, etc.).
Conceptual design and simulation of a water Cherenkov muon veto for the XENON1T experiment
2014
XENON is a direct detection dark matter project, consisting of a time projection chamber (TPC) that uses xenon in double phase as a sensitive detection medium. XENON100, located at the Laboratori Nazionali del Gran Sasso (LNGS) in Italy, is one of the most sensitive experiments of its field. During the operation of XENON100, the design and construction of the next generation detector (of ton-scale mass) of the XENON project, XENON1T, is taking place. XENON1T is being installed at LNGS as well. It has the goal to reduce the background by two orders of magnitude compared to XENON100, aiming at a sensitivity of $2 \cdot 10^{-47} \mathrm{cm}^{\mathrm{2}}$ for a WIMP mass of 50 GeV/c$^{2}$. With…
Comparison between simulated and observed LHC beam backgrounds in the ATLAS experiment at E beam =4 TeV
2018
Results of dedicated Monte Carlo simulations of beam-induced background (BIB) in the ATLAS experiment at the Large Hadron Collider (LHC) are presented and compared with data recorded in 2012. During normal physics operation this background arises mainly from scattering of the 4 TeV protons on residual gas in the beam pipe. Methods of reconstructing the BIB signals in the ATLAS detector, developed and implemented in the simulation chain based on the FLUKA Monte Carlo simulation package, are described. The interaction rates are determined from the residual gas pressure distribution in the LHC ring in order to set an absolute scale on the predicted rates of BIB so that they can be compared qua…