8,629 research outputs found
Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations
Secure pseudo-random linear binary sequences generators based on arithmetic polynoms
We present a new approach to constructing of pseudo-random binary sequences
(PRS) generators for the purpose of cryptographic data protection, secured from
the perpetrator's attacks, caused by generation of masses of hardware errors
and faults. The new method is based on use of linear polynomial arithmetic for
the realization of systems of boolean characteristic functions of PRS'
generators. "Arithmetizatio" of systems of logic formulas has allowed to apply
mathematical apparatus of residue systems for multisequencing of the process of
PRS generation and organizing control of computing errors, caused by hardware
faults. This has guaranteed high security of PRS generator's functioning and,
consequently, security of tools for cryptographic data protection based on
those PRSs
Electron dynamics following photoionization: decoherence due to the nuclear-wave-packet width
The advent of attosecond techniques opens up the possibility to observe experimentally electron dynamics following ionization of molecules. Theoretical studies of pure electron dynamics at single fixed nuclear geometries in molecules have demonstrated oscillatory charge migration at a well-defined frequency but often neglecting the natural width of the nuclear wave packet. The effect on electron dynamics of the spatial delocalization of the nuclei is an outstanding question. Here, we show how the inherent distribution of nuclear geometries leads to dephasing. Using a simple analytical model, we demonstrate that the conditions for a long-lived electronic coherence are a narrow nuclear wave packet and almost parallel potential-energy surfaces of the states involved. We demonstrate with numerical simulations the decoherence of electron dynamics for two real molecular systems (paraxylene and polycyclic norbornadiene), which exhibit different decoherence time scales. To represent the quantum distribution of geometries of the nuclear wave packet, the Wigner distribution function is used. The electron dynamics decoherence result has significant implications for the interpretation of attosecond spectroscopy experiments since one no longer expects long-lived oscillations
Detection of infectious baboon cytomegalovirus after baboon-to-human liver xenotransplantation
Xenotransplantation is considered to be a solution for the human donor shortage. However, there is a potential risk of transmitting animal infections from the transplanted organ. The known transmissibility and clinical significance of human cytomegalovirus (HCMV) infection after allotransplantation led us to evaluate whether baboon cytomegalovirus (BCMV) transmission could occur after a baboon-to-human liver xenotransplant. We examined serial blood samples from a baboon liver recipient and isolated replication-competent CMV-like agents on days 29, 36, and 42 after xenotransplantation. BCMV and HCMV DNAs were detected in the day 29 isolate, while only HCMV DNA was detected in the other isolates. This is the first report of detecting a replication-competent virus from a source animal after xenotransplantation and is a concern with regard to potential zoonotic transmission to others
Ligation of protease-activated receptor 1 enhances alpha(v)beta(6) integrin-dependent TGF-beta activation and promotes acute lung injury
Activation of latent TGF-beta by the alpha(v)beta(6) integrin is a critical step in the development of acute lung injury. However, the mechanism by which a alpha(v)beta(6)-mediated TGF-beta activation is regulated has not been identified. We show that thrombin, and other agonists of protease-activated receptor 1(PAR1), activate TGF-beta in an alpha(v)beta(6) integrin-specific manner. This effect is PART specific and is mediated by RhoA and Rho kinase. Intratracheal instillation of the PART-specific peptide TFLLRN increases lung edema during high-tidal-volume ventilation, and this effect is completely inhibited by a blocking antibody against the alpha(v)beta(6) integrin. Instillation of TFLLRN during high-tidal-volume ventilation is associated with increased pulmonary TGF-beta activation; however, this is not observed in Itgb6(-/-) mice. Furthermore, Itgb6(-/-) mice are also protected from ventilator-induced lung edema. We also demonstrate that pulmonary edema and TGF-beta activity are similarly reduced in Par1(-/-) mice following bleomycin-induced lung injury. These results suggest that PART-mediated enhancement of a alpha(v)beta(6)-dependent TGF-beta activation could be one mechanism by which activation of the coagulation cascade contributes to the development of acute lung injury, and they identify PART and the alpha(v)beta(6) integrin as potential therapeutic targets in this condition
Charge migration engineered by localisation: electron-nuclear dynamics in polyenes and glycine
We demonstrate that charge migration can be ‘engineered’ in arbitrary molecular systems if a single localised orbital – that diabatically follows nuclear displacements – is ionised. Specifically, we describe the use of natural bonding orbitals in Complete Active Space Configuration Interaction (CASCI) calculations to form cationic states with localised charge, providing consistently well-defined initial conditions across a zero point energy vibrational ensemble of molecular geometries. In Ehrenfest dynamics simulations following localised ionisation of -electrons in model polyenes (hexatriene and decapentaene) and -electrons in glycine, oscillatory charge migration can be observed for several femtoseconds before dephasing. Including nuclear motion leads to slower dephasing compared to fixed-geometry electron-only dynamics results. For future work, we discuss the possibility of designing laser pulses that would lead to charge migration that is experimentally observable, based on the proposed diabatic orbital approach
Full-sky maps for gravitational lensing of the CMB
We use the large cosmological Millennium Simulation (MS) to construct the
first all-sky maps of the lensing potential and the deflection angle, aiming at
gravitational lensing of the CMB, with the goal of properly including
small-scale non-linearities and non-Gaussianity. Exploiting the Born
approximation, we implement a map-making procedure based on direct ray-tracing
through the gravitational potential of the MS. We stack the simulation box in
redshift shells up to , producing continuous all-sky maps with
arcminute angular resolution. A randomization scheme avoids repetition of
structures along the line of sight and structures larger than the MS box size
are added to supply the missing contribution of large-scale (LS) structures to
the lensing signal. The angular power spectra of the projected lensing
potential and the deflection-angle modulus agree quite well with semi-analytic
estimates on scales down to a few arcminutes, while we find a slight excess of
power on small scales, which we interpret as being due to non-linear clustering
in the MS. Our map-making procedure, combined with the LS adding technique, is
ideally suited for studying lensing of CMB anisotropies, for analyzing
cross-correlations with foreground structures, or other secondary CMB
anisotropies such as the Rees-Sciama effect.Comment: LaTeX file, 10 pages, MNRAS in press, scales larger than the
Millennium Simulation box size semi-analytically added, maps changed,
references added, typos correcte
Gas turbulence modulation in a two-fluid model for gas-solid flows
Recent rapid progress in the theoretical and experimental study of turbulence modulation has led to greater understanding of the physics of particle-gas turbulence interactions. A new two-fluid model incorporating these advances for relatively dilute gas-solid flows containing high-inertia particles is established. The effect of aerodynamic forces upon the particulate stresses is considered in this kinetic theory-based model, and the influence of the particles on the turbulent gas is addressed: the work associated with drag forces contributes to the gas turbulent energy, and the space occupied by particles restricts the turbulent length scale. The interparticle length scale, which is usually ignored, has been incorporated into a new model for determining the turbulent length scale. This model also considers the transport effect on the turbulent length scale. Simulation results for fully developed steady flows in vertical pipes are compared with a wide range of published experimental data and, generally, good agreement is shown. This comprehensive and validated model accounts for many of the interphase interactions that have been shown to be important
Imprints of dark energy on cosmic structure formation: II) Non-Universality of the halo mass function
The universality of the halo mass function is investigated in the context of
dark energy cosmologies. This widely used approximation assumes that the mass
function can be expressed as a function of the matter density omega_m and the
rms linear density fluctuation sigma only, with no explicit dependence on the
properties of dark energy or redshift. In order to test this hypothesis we run
a series of 15 high-resolution N-body simulations for different cosmological
models. These consists of three LCDM cosmologies best fitting WMAP-1, 3 and 5
years data, and three toy-models characterized by a Ratra-Peebles quintessence
potential with different slopes and amounts of dark energy density. These toy
models have very different evolutionary histories at the background and linear
level, but share the same sigma8 value. For each of these models we measure the
mass function from catalogues of halos identified in the simulations using the
Friend-of-Friend (FoF) algorithm. We find redshift dependent deviations from a
universal behaviour, well above numerical uncertainties and of non-stochastic
origin, which are correlated with the linear growth factor of the investigated
cosmologies. Using the spherical collapse as guidance, we show that such
deviations are caused by the cosmology dependence of the non-linear collapse
and virialization process. For practical applications, we provide a fitting
formula of the mass function accurate to 5 percents over the all range of
investigated cosmologies. We also derive an empirical relation between the FoF
linking parameter and the virial overdensity which can account for most of the
deviations from an exact universal behavior. Overall these results suggest that
the halo mass function contains unique cosmological information since it
carries a fossil record of the past cosmic evolution.Comment: 21 pages, 19 figures, 5 tables, published in MNRAS. Paper I:
arXiv:0903.549
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