Search results for "computational"
showing 10 items of 5884 documents
Polymorphisms of β-defensin genes in Valle del Belice dairy sheep
2011
The aim of this work was to study β-defensin 1 (SBD1) and β-defensin 2 (SBD2) genes in Valle del Belice dairy sheep in order to identify polymorphisms that can be utilized as markers of the analyzed genes, and search for the functional effects and roles of the identified polymorphisms (variation of the amino acid sequence of the protein and stability of mRNA molecule). The study was conducted on 300 randomly selected animals belonging to four flocks. A total of seven SNPs were identified, two in SBD1 and five in SBD2. The two SNPs identified in SBD2 coding region, at position 1659 and position 1667, were non-synonymous, leading to amino acid changes in the protein product. Nevertheless, the…
Design of novel small molecule base-pair recognizers of toxic CUG RNA transcripts characteristics of DM1.
2020
Graphical abstract
Study of USH1 Splicing Variants through Minigenes and Transcript Analysis from Nasal Epithelial Cells
2012
Usher syndrome type I (USH1) is an autosomal recessive disorder characterized by congenital profound deafness, vestibular areflexia and prepubertal retinitis pigmentosa. The first purpose of this study was to determine the pathologic nature of eighteen USH1 putative splicing variants found in our series and their effect in the splicing process by minigene assays. These variants were selected according to bioinformatic analysis. The second aim was to analyze the USH1 transcripts, obtained from nasal epithelial cells samples of our patients, in order to corroborate the observed effect of mutations by minigenes in patient’s tissues. The last objective was to evaluate the nasal ciliary beat fre…
The Unbalanced Linguistic Aggregation Operator in Group Decision Making
2012
Published version of an article in the journal: Mathematical problems in engineering. Also available from Hindawi: http://dx.doi.org/10.1155/2012/619162 Many linguistic aggregation methods have been proposed and applied in the linguistic decision- making problems. In practice, experts need to assess a number of values in a side of reference domain higher than in the other one; that is, experts use unbalanced linguistic values to express their evaluation for problems. In this paper, we propose a new linguistic aggregation operator to deal with unbalanced linguistic values in group decision making, we adopt 2-tuple representation model of linguistic values and linguistic hierarchies to expres…
Image Processing and Measurement of the Bubble Properties in a Bubbling Fluidized Bed Reactor
2022
The efficiency of a fluidized bed reactor depends on the bed fluid dynamic behavior, which is significantly influenced by the bubble properties. This work investigates the bubble properties of a bubbling fluidized bed reactor using computational particle fluid dynamic (CPFD) simulations and electrical capacitance tomography (ECT) measurements. The two-dimensional images (along the reactor horizontal and vertical planes) of the fluidized bed are obtained from the CPFD simulations at different operating conditions. The CPFD model was developed in a commercial CPFD software Barracuda Virtual Reactor 20.0.1. The bubble behavior and bed fluidization behavior are characterized form the bubble pro…
The Role of Self-Assembling Lipid Molecules in Vaccination
2018
Abstract The advent of vaccines represents one of the most significant advances in medical history. The protection provided by vaccines has greatly contributed in reducing the number of cases of infections and most notably to the eradication of small pox. A large number of new technologies and approaches in vaccine development are currently being investigated with the goal of providing the basis for the next generation of prophylactics against an ever-expanding list of emerging and reemerging pathogens. In this chapter, we will focus on the role of lipids and lipid self-assembling vesicles in new and promising vaccination approaches. We will start by describing how lipids can induce activat…
Electron Delocalization and Electrostatic Repulsion at the Origin of the Strong Spin Coupling in Mixed-Valence Keggin Polyoxometalates: Ab Initio Cal…
2004
International audience; Cet article détaille une procédure générale qui associe l′évaluation de paramètres microscopiques et la prédiction de propriétés macroscopiques. Les principales interactions entre les électrons délocalisés sur des polyoxométalates à valence mixte sont extraites à partir du calcul de la spectroscopie de valence de fragments immergés dans un bain qui reproduit les principaux effets du reste du cristal sur le fragment considéré. Nous avons extrait non seulement la valeur du transfert électronique, du couplage magnétique et du paramètre de "exchange-transfer" entre ions métalliques premiers et seconds voisins, mais encore la valeur de la répulsion électrostatique entre l…
Origin of the Paramagnetic Properties of the Mixed‐Valence Polyoxometalate [GeV 14 O 40 ] 8– Reduced by Two Electrons: Wave Function Theory and Model…
2009
The aim of the work is to give an explanation of the magnetic properties of a mixed-valence [GeV14O40]8– polyoxometalate reduced by two electrons, which, in contrast to what happens in other two-electron-reduced polyoxometalates, does not show any magnetic coupling between the two unpaired electrons. For this purpose, a quantitative evaluation of the microscopic electronic parameters (electron transfer, magnetic coupling, magnetic orbital energy, and Coulomb repulsion) of the mixed-valence polyoxometalate cluster is performed. The parameters are extracted from valence-spectroscopy large configuration interaction (CI) calculations on embedded fragments. Then, these parameters are used in an …
Full configuration interaction calculation of the low lying valence and Rydberg states of BeH
2007
The all-electron full configuration interaction (FCI) vertical excitation energies for some low lying valence and Rydberg excited states of BeH are presented in this article. A basis set of valence atomic natural orbitals has been augmented with a series of Rydberg orbitals that have been generated as centered onto the Be atom. The resulting basis set can be described as 4s2p1d/2s1p (Be/H) + 4s4p3d. It allows to calculate Rydberg states up to n= {3,4,5} of the s, p, and d series of Rydberg states. The FCI vertical ionization potential for the same basis set and geometry amounts to 8.298 eV. Other properties such as FCI electric dipole and quadrupole moments and FCI transition dipole and qua…
Absolute acidity of clay edge sites from ab-initio simulations
2012
International audience; We provide a microscopic understanding of the solvation structure and reactivity of the edges of neutral clays. In particular we address the tendency to deprotonation of the different reactive groups on the (0 1 0) face of pyrophyllite. Such information cannot be inferred directly from titration experiments, which do not discriminate between different sites and whose interpretation resorts to macroscopic models. The determination of the corresponding pKa then usually relies on bond valence models, sometimes improved by incorporating some structural information from ab-initio simulations. Here we use density functional theory based molecular dynamics simulations, comb…