Search results for "Simulation."
showing 10 items of 4779 documents
Cubic smoothing splines background correction in on-line liquid chromatography–Fourier transform infrared spectrometry
2010
A background correction method for the on-line coupling of gradient liquid chromatography and Fourier transform infrared spectrometry (LC-FTIR) is proposed. The developed approach applies univariate background correction to each variable (i.e. each wave number) individually. Spectra measured in the region before and after each peak cluster are used as knots to model the variation of the eluent absorption intensity with time using cubic smoothing splines (CSS) functions. The new approach has been successfully tested on simulated as well as on real data sets obtained from injections of standard mixtures of polyethylene glycols with four different molecular weights in methanol:water, 2-propano…
Ancestral Reconstruction and Investigations of Genomic Recombination on some Pentapetalae Chloroplasts
2019
Abstract In this article, we propose a semi-automated method to rebuild genome ancestors of chloroplasts by taking into account gene duplication. Two methods have been used in order to achieve this work: a naked eye investigation using homemade scripts, whose results are considered as a basis of knowledge, and a dynamic programming based approach similar to Needleman-Wunsch. The latter fundamentally uses the Gestalt pattern matching method of sequence matcher to evaluate the occurrences probability of each gene in the last common ancestor of two given genomes. The two approaches have been applied on chloroplastic genomes from Apiales, Asterales, and Fabids orders, the latter belonging to Pe…
Angiogenic activity of breast cancer patients' monocytes reverted by combined use of systems modeling and experimental approaches.
2015
Angiogenesis plays a key role in tumor growth and cancer progression. TIE-2-expressing monocytes (TEM) have been reported to critically account for tumor vascularization and growth in mouse tumor experimental models, but the molecular basis of their pro-angiogenic activity are largely unknown. Moreover, differences in the pro-angiogenic activity between blood circulating and tumor infiltrated TEM in human patients has not been established to date, hindering the identification of specific targets for therapeutic intervention. In this work, we investigated these differences and the phenotypic reversal of breast tumor pro-angiogenic TEM to a weak pro-angiogenic phenotype by combining Boolean m…
Characteristics of the early flight phase in the Olympic ski jumping competition.
2004
Early flight phase (approximately 40 m) of the athletes participating in the final round of the individual large hill ski jumping competition in Salt Lake City Olympics was filmed with two high-speed pan & tilt video cameras. The results showed that jumpers' steady flight position was almost completed within 0.5s. The most significant correlation with the length of the jump was found in the angle between the skis and body (r=.714, p.001 at 1.1s after the take-off). This particular phase seemed to be important because the ski angle of attack was also related to the jumping distance at the same phase. Although the more upright ski position relative to flight path resulted in longer jumping di…
The planar two-body problem for spheroids and disks
2021
We outline a new method suggested by Conway (2016) for solving the two-body problem for solid bodies of spheroidal or ellipsoidal shape. The method is based on integrating the gravitational potential of one body over the surface of the other body. When the gravitational potential can be analytically expressed (as for spheroids or ellipsoids), the gravitational force and mutual gravitational potential can be formulated as a surface integral instead of a volume integral, and solved numerically. If the two bodies are infinitely thin disks, the surface integral has an analytical solution. The method is exact as the force and mutual potential appear in closed-form expressions, and does not invol…
Production and detection of atomic hexadecapole at Earth's magnetic field
2007
Anisotropy of atomic states is characterized by population differences and coherences between Zeeman sublevels. It can be efficiently created and probed via resonant interactions with light, the technique which is at the heart of modern atomic clocks and magnetometers. Recently, nonlinear magneto-optical techniques have been developed for selective production and detection of higher polarization moments, hexadecapole and hexacontatetrapole, in the ground states of the alkali atoms. Extension of these techniques into the range of geomagnetic fields is important for practical applications. This is because hexadecapole polarization corresponding to the $\Delta M=4$ Zeeman coherence, with maxim…
A second strain gradient elasticity theory with second velocity gradient inertia – Part II: Dynamic behavior
2013
Abstract This paper is the sequel of a companion Part I paper devoted to the constitutive equations and to the quasi-static behavior of a second strain gradient material model with second velocity gradient inertia. In the present Part II paper, a multi-cell homogenization procedure (developed in the Part I paper) is applied to a nonhomogeneous body modelled as a simple material cell system, in conjunction with the principle of virtual work (PVW) for inertial actions (i.e. momenta and inertia forces), which at the macro-scale level takes on the typical format as for a second velocity gradient inertia material model. The latter (macro-scale) PVW is used to determine the equilibrium equations …
A gradient elasticity theory for second-grade materials and higher order inertia
2012
Abstract Second-grade elastic materials featured by a free energy depending on the strain and the strain gradient, and a kinetic energy depending on the velocity and the velocity gradient, are addressed. An inertial energy balance principle and a virtual work principle for inertial actions are envisioned to enrich the set of traditional theoretical tools of thermodynamics and continuum mechanics. The state variables include the body momentum and the surface momentum, related to the velocity in a nonstandard way, as well as the concomitant mass-accelerations and inertial forces, which do intervene into the motion equations and into the force boundary conditions. The boundary traction is the …
A computational study of the lowest singlet and triplet states of neutral and dianionic 1,2-substituted icosahedral and octahedralo-carboranes
2006
This work introduces a calibrated B3LYP/6-31G(d) study on the electronic structure of singlet and triplet neutral species of 1,2-substituted icosahedral 1,2-R(2)-1,2-C(2)B(10)H(10) and octahedral 1,2-R(2)-1,2-C(2)B(4)H(4) molecules with R = {H, OH, SH, NH(2), PH(2), CH(3), SiH(3)} and their respective dianions formed by proton removal on each R group. A variety of small adiabatic singlet-triplet gaps DeltaE(ST) are obtained from these systems ranging from 2.93 eV (R = NH(2)) <or= DeltaE(ST) <or= 3.98 eV (R = SiH(3)) for the icosahedral neutrals and 1.56 eV (R = NH(2)) <or= DeltaE(ST) <or= 4.13 eV (R = SiH(3)) for the octahedral neutrals, these gaps being globally smaller for the dianionic s…
Liquid structure of a water-in-salt electrolyte with a remarkably asymmetric anion
2021
Water-in-salt systems, i.e., super-concentrated aqueous electrolytes, such as lithium bis(trifluoromethanesulfonyl)imide (21 mol/kgwater), have been recently discovered to exhibit unexpectedly large electrochemical windows and high lithium transference numbers, thus paving the way to safe and sustainable charge storage devices. The peculiar transport features in these electrolytes are influenced by their intrinsically nanoseparated morphology, stemming from the anion hydrophobic nature and manifesting as nanosegregation between anions and water domains. The underlying mechanism behind this structure-dynamics correlation is, however, still a matter of strong debate. Here, we enhance the apol…