Search results for "Quantitative"
showing 10 items of 2409 documents
Regularity of Spike Trains and Harmony Perception in a Model of the Auditory System
2011
Spike train regularity of the noisy neural auditory system model under the influence of two sinusoidal signals with different frequencies is investigated. For the increasing ratio m/n of the input signal frequencies (m, n are natural numbers) the linear growth of the regularity is found at the fixed difference (m - n). It is shown that the spike train regularity in the model is high for harmonious chords of input tones and low for dissonant ones.
Is there contextuality in behavioural and social systems?
2015
Most behavioral and social experiments aimed at revealing contextuality are confined to cyclic systems with binary outcomes. In quantum physics, this broad class of systems includes as special cases Klyachko-Can-Binicioglu-Shumovsky-type, Einstein-Podolsky-Rosen-Bell-type, and Suppes-Zanotti-Leggett-Garg-type systems. The theory of contextuality known as Contextuality-by-Default allows one to define and measure contextuality in all such system, even if there are context-dependent errors in measurements, or if something in the contexts directly interacts with the measurements. This makes the theory especially suitable for behavioral and social systems, where direct interactions of "everythin…
Algorithms for {K, s+1}-potent matrix constructions
2013
In this paper, we deal with {K, s + 1}-potent matrices. These matrices generalize all the following classes of matrices: k-potent matrices, periodic matrices, idempotent matrices, involutory matrices, centrosymmetric matrices, mirrorsymmetric matrices, circulant matrices, among others. Several applications of these classes of matrices can be found in the literature. We develop algorithms in order to compute {K, s + 1}-potent matrices and {K, s + 1}-potent linear combinations of {K, s + 1}-potent matrices. In addition, some examples are presented in order to show the numerical performance of the method. (C) 2012 Elsevier B.V. All rights reserved.
Circular Dichroism of DNA G-Quadruplexes: Combining Modeling and Spectroscopy To Unravel Complex Structures
2016
We report on the comparison between the computational and experimental determination of electronic circular dichroism spectra of different guanine quadruplexes obtained from human telomeric sequences. In particular the difference between parallel, antiparallel, and hybrid structures is evidenced, as well as the induction of transitions between the polymorphs depending on the solution environment. Extensive molecular dynamics simulations (MD) are used to probe the conformational space of the different quadruplexes, and subsequently state-of-the-art hybrid quantum mechanics/molecular mechanics (QM/MM) techniques coupled with excitonic semiempirical Hamiltonian are used to simulate the macromo…
Dynamical properties of myoglobin in an ultraviscous water-glycerol solvent investigated with elastic neutron scattering and FTIR spectroscopy
2018
Abstract Proteins have distinctive dynamical properties, characterized by the fluctuations of protein molecules among the different minima of their energy landscape. These fluctuations, progressively activated for temperature values larger than ~180 K, lead to a steep increase in the temperature dependence of all measurable dynamical properties. This phenomenon is known as Protein Dynamical Transition and, in spite of the intense studies due to its importance in protein function and to the relation with the fascinating fundamental thermodynamics of complex systems, many aspects of it are not yet clearly understood. Among these, the relationship with the properties of the external solvent an…
Preliminary results on direct quantitative determination of cocaine in impregnated materials by infrared spectroscopy
2018
Abstract Partial least squares models were built for the direct determination of cocaine in seized impregnated smuggled materials. Measurements are based on the attenuated total reflectance middle infrared spectra (ATR-MIR) and diffuse reflectance spectra in the near range (DR-NIR) obtained directly from the surface of the impregnated materials. The aforementioned procedures offer fast, cheap and environmentally friendly green alternatives to the reference method based on the extraction of the drug and its quantification by gas chromatography. Additionally it has been verified that results found are statistically comparable with those obtained by the reference method with root mean square e…
Vibrational spectroscopy of trans and cis deuterated formic acid (HCOOD): Anharmonic calculations and experiments in argon and neon matrices
2010
The absorption spectra of trans and cis conformers of deuterated formic acid (HCOOD) isolated in argon and neon matrices are analyzed in the mid-infrared and near-infrared spectral regions (7900–450 cm � 1 ). Vibrational excitation by narrow-band IR radiation is used to convert the lower-energy trans conformer to the higher-energy cis form. A large number of overtone and combination bands are identified. The results of anharmonic vibrational calculations (CC-VSCF) for both conformers are reported and compared to the experimental spectra.
Interpretation of the Cu K-edge EXAFS spectra of Cu3N using ab initio molecular dynamics
2020
Financial support provided by ERDF project No. 1.1.1.2/VIAA/l/16/147 (1.1.1.2/16/I/001) under the activity “Post-doctoral research aid” realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. This work was supported by a grant from the Swiss National Supercomputing Centre (CSCS) under the project ID s681 .
Assessment of the cortical bone thickness using ultrasonic guided waves: Modelling and in vitro study
2007
Determination of cortical bone thickness is warranted, e.g., for assessing the level of endosteal resorption in osteoporosis or other bone pathologies. We have shown previously that the velocity of the fundamental antisymmetric (or flexural) guided wave, measured for bone phantoms and bones in vitro, correlates with the cortical thickness significantly better than those by other axial ultrasound methods. In addition, we have introduced an inversion scheme based on guided wave theory, group velocity filtering and 2-D fast Fourier transform, for determination of cortical thickness from the measured velocity of guided waves. In this study, the method was validated for tubular structures by usi…
Orbital Rashba effect in a surface-oxidized Cu film
2020
Recent experimental observation of an unexpectedly large current-induced spin-orbit torque in surface oxidized Cu on top of a ferromagnet pointed to a possibly prominent role of the orbital Rashba effect (ORE) in this system. Here, we use first principles methods to investigate the ORE in a system of oxygen monolayer deposited on top of a Cu(111) film. We show that surface oxidization of the Cu film leads to a gigantic enhancement of the ORE near the Fermi energy. The resulting chiral orbital texture in the momentum space is exceptionally strong, reaching as much as $\ensuremath{\sim}0.5\ensuremath{\hbar}$ in magnitude. We find that resonant hybridization between O $p$ states and Cu $d$ sta…