Quantum confinement in hydrogen bond

In this work, the quantum confinement effect is proposed as the cause of the displacement of the vibrational spectrum of molecular groups that involve hydrogen bonds. In this approach, the hydrogen bond imposes a space barrier to hydrogen and constrains its oscillatory motion. We studied the vibrational transitions through the Morse potential, for the NH and OH molecular groups inside macromolecules in situation of confinement (when hydrogen bonding is formed) and nonconfinement (when there is no hydrogen bonding). The energies were obtained through the variational method with the trial wave functions obtained from supersymmetric quantum mechanics formalism. The results indicate that it is possible to distinguish the emission peaks related to the existence of the hydrogen bonds. These analytical results were satisfactorily compared with experimental results obtained from infrared spectroscopy. (c) 2015 Wiley Periodicals, Inc.

Maximizing the utility of bio-based diisocyanate and chain extenders in crystalline segmented thermoplastic polyester urethanes: effect of polymerization protocol

High molecular weight semi crystalline thermoplastic poly(ester urethanes), TPEUs, were prepared from a vegetable oil-based diisocyanate, aliphatic diol chain extenders and poly(ethylene adipate) macro diol using one-shot, pre-polymer and multi-stage polyaddition methods. The optimized polymerization reaction achieved ultra-high molecular weight TPEUs (>2 million as determined by GPC) in a short time, indicating a very high HPMDI diol reactivity. TPEUs with very well controlled hard segment (HS) and soft segment (SS) blocks were prepared and characterized with DSC, TGA, tensile analysis, and WAXD in order to reveal structure property relationships. A confinement effect that imparts elastomeric properties to otherwise thermoplastic TPEUs was revealed. The confinement extent was found to vary predictably with structure indicating that one can custom engineer tougher polyurethane elastomers by "tuning" soft segment crystallinity with suitable HS block structure. Generally, the HPMDI-based TPEUs exhibited thermal stability and mechanical properties comparable to entirely petroleum-based TPEUs. (C) 2014 Elsevier Ltd. All rights reserved.

Chiral symmetry breaking with a confining propagator and dynamically massive gluons

Chiral symmetry breaking in QCD is studied introducing a confining effective propagator, as proposed recently by Cornwall, and considering the effect of dynamically massive gluons. The effective confining propagator has the form 1/(k2 +m2)2 and we study the bifurcation equation finding limits on the parameter m below which a satisfactory fermion mass solution is generated. Since the coupling constant and gluon propagator are damped in the infrared, due to the presence of a dynamical gluon mass, the major part of the chiral breaking is only due to the confining propagator and related to the low momentum region of the gap equation. We study the asymptotic behavior of the gap equation containing this confinement effect and massive gluon exchange, and find that the symmetry breaking can be approximated by an effective four-fermion interaction generated by the confining propagator. We compute some QCD chiral parameters as a function of m, finding values compatible with the experimental data. We find a simple approximate relation between the fermion condensate and dynamical mass for a given representation as a function of the parameters appearing in the effective confining propagator. © Copyright owned by the author(s) under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike Licence.

Avaliação do comportamento de pilares de concreto de alta resistência: simulação numérica utilizando o código de cálculo CASTEM-2000

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Dinâmica de vórtices em filmes finos supercondutores de superfície variável

Pós-graduação em Ciência e Tecnologia de Materiais - FC

Chiral transition of fundamental and adjoint quarks

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A note on the horseshoe confinement model: the Poynting-Robertson effect

In the present work we numerically simulated the motion of particles coorbital to a small satellite under the Poynting-Robertson light drag effect in order to verify the symmetry suggested by Dermott et al. (1979, 1980) on their ring confinement model. The results reveal a more complex scenario, especially for very small particles (micrometer sizes), which present chaotic motion. Despite the complexity of the trajectories the particles remain confined inside the coorbital region. However, the dissipative force caused by the solar radiation also includes the radiation pressure component which can change this configuration. Our results show that the inclusion of the radiation pressure, which is not present in the original confinement model, can destroy the configuration in a time much shorter than the survival time predicted for a dust particle in a horseshoe orbit with a satellite.

Effect of organic sources of minerals on fat-corrected milk yield of dairy cows in confinement

This study evaluated the effects of organic and inorganic sources of minerals in diets for mid-lactation dairy cows on milk yield and composition, intake and total apparent digestibility of dry matter and nutrients, blood parameters, microbial protein synthesis, and energy and protein balances. Twenty Holstein cows averaging 146.83 +/- 67.34 days in milk and weighing 625.30 +/- 80.37 kg were used. The experimental design was a crossover. Diets were composed of corn silage (50%), ground grain corn, and soybean meal, differing with regard to the sources of trace minerals, plus an organic and inorganic mix. The organic mineral source increased milk fat and fat-corrected milk yield without changing milk yield, intake, or total apparent digestibility. Blood parameters, microbial protein synthesis, and energy and protein balances were not affected by the sources of minerals. Organic sources of minerals improve milk fat yield without affecting other parameters.

Concurrent nociceptive stimulation impairs the anxiolytic effect of midazolam injected into the periaqueductal gray in mice

This study investigated whether the opportunity to avoid or escape the open arms of an elevated plus-maze (EPM) affects the antinociceptive response observed when mice are subjected to open arm confinement. Furthermore, in order to better characterize the relationship between emotion and antinociception in the EPM, we examined the behavioral effects of midazolam injection into the midbrain periaqueductal gray matter (PAG). As our main aim was to evaluate the relevance of different levels of approach-avoid conflict (i.e. The presence of open and closed arms) to maze-induced antinociception, mice were exposed to one of three types of EPM-a standard EPM (sEPM), an open EPM (oEPM: four open arms) or, as a control condition, an enclosed EPM (eEPM: four enclosed arms). Nociception was assessed using the formalin test. Twenty minutes after formalin injection (50 mu l, 2.5% formalin) into the dorsal right hind paw, mice received an intra-PAG injection of saline or midazolam (10-20 nmol). Five minutes later, they were individually exposed to one of the mazes for 10 min (25-35 min after formalin injection). Videotapes of the test sessions were scored for a variety of behavioral measures including time spent licking the formalin-injected paw. To examine whether the effects of midazolam on anxiety-like behavior may have been influenced by concurrent nociceptive stimulation (i.e. formalin pretreatment), naive mice were submitted to a similar procedure to that described above for the sEPM test but without formalin pretreatment. Results showed that mice exposed to the oEPM spent significantly less time licking the injected paw compared to groups exposed to either the sEPM or eEPM. Although exposure to the sEPM induced anxiety-like behaviors (i.e. open arm avoidance), it did not result in antinociception. Intra-PAG infusions of midazolam failed to block oEPM-induced antinociception or to alter sEPM-induced anxiety in mice that had received formalin injection. However, under normal test conditions (i.e. in the absence of formalin-induced nociceptive stimulation), intra-PAG midazolam produced clear anti-anxiety effects in mice exposed to the sEPM. Findings are discussed in terms of different emotional states induced by the oEPM and sEPM and the influence of concurrent nociceptive stimulation on the anti-anxiety effect of intra-PAG midazolam. (c) 2005 Elsevier B.V. All rights reserved.

Effect of electron magnetic trapping in a plasma immersion ion implantation system

In this work we describe a two-dimensional computer simulation of magnetic field enhanced plasma immersion implantation system. Negative bias voltage of 10.0 kV is applied to a cylindrical target located on the axis of a grounded vacuum chamber filled with uniform nitrogen plasma. A pair of external coils creates a static magnetic field with main vector component along the axial direction. Thus, a system of crossed ExB field is generated inside the vessel forcing plasma electrons to rotate in azimuthal direction. In addition, the axial variation of the magnetic field intensity produces magnetic mirror effect that enables axial particle confinement. It is found that high-density plasma regions are formed around the target due to intense background gas ionization by the trapped electrons. Effect of the magnetic field on the sheath dynamics and the implantation current density of the PIII system is investigated. By changing the magnetic field axial profile (varying coils separation) an enhancement of about 30% of the retained dose can be achieved. The results of the simulation show that the magnetic mirror configuration brings additional benefits to the PIII process, permitting more precise control of the implanted dose.

The effect of elevated blood cortisol levels on the extinction of a conditioned stress response in rainbow trout

Following previously published observations that a conditioned response (CR) was lost more quickly by rainbow trout (Oncorhynchus mykiss) exhibiting a high responsiveness to stressors than by low responding individuals this study was designed to investigate the effects of exogenous cortisol on the retention of a CR in unselected rainbow trout. Fish held in isolation were conditioned over a 10-day period by pairing an innocuous signal (conditioned stimulus, CS: a water jet played on the surface of the tank water) with a mild stressor (unconditioned stimulus, US: 30 min of confinement). This resulted in a brief elevation of plasma cortisol levels (the CR) when the fish was exposed to the CS only. The effect of exogenous cortisol on the retention of the CR was evaluated by comparing the performance of fish that received cortisol-containing slow-release intraperitoneal implants, with fish receiving vehicle-only implants. Retention of the CR was assessed at intervals up to 35 days after conditioning ceased. The CR was considered to be evident when 30 min following presentation of the CS, mean plasma cortisol levels were significantly higher in conditioned than untrained fish. on day 1 both cortisol-implanted and vehicle-implanted conditioned fish exhibited a CR. However, from day 5 onwards the CR was observed only in the vehicle-implanted and conditioned group. This finding indicates that administration of cortisol accelerated the extinction of the CR in the cortisol-implanted fish, suggesting that elevated plasma cortisol levels can impair memory processes in rainbow trout. (c) 2006 Elsevier B.V. All rights reserved.

The effect of Jupiter's mass growth on satellite capture - Retrograde case

Gravitational capture can be used to explain the existence of the irregular satellites of giants planets. However, it is only the first step since the gravitational capture is temporary. Therefore, some kind of non-conservative effect is necessary to to turn the temporary capture into a permanent one. In the present work we study the effects of Jupiter mass growth for the permanent capture of retrograde satellites. An analysis of the zero velocity curves at the Lagrangian point L-1 indicates that mass accretion provides an increase of the confinement region ( delimited by the zero velocity curve, where particles cannot escape from the planet) favoring permanent captures. Adopting the restricted three-body problem, Sun-Jupiter-Particle, we performed numerical simulations backward in time considering the decrease of M-4. We considered initial conditions of the particles to be retrograde, at pericenter, in the region 100 R-4 less than or equal to a less than or equal to 400 R-4 and 0 less than or equal to e < 0.5. The results give Jupiter's mass at the moment when the particle escapes from the planet. Such values are an indication of the necessary conditions that could provide capture. An analysis of these results shows that retrograde satellites would be captured as soon as they get inside the Hills' radius and after that they keep migrating toward the planet while it is growing. For the region where the orbits of the four old retrograde satellites of Jupiter ( Ananke, Carme, Pasiphae and Sinope) are located we found that such satellites could have been permanently captured when Jupiter had between 62% and 93% of its present mass.

Confinement effects and why carbon nanotube bundles can work as gas sensors

Carbon nanotubes have been at the forefront of nanotechnology, leading not only to a better understanding of the basic properties of charge transport in one dimensional materials, but also to the perspective of a variety of possible applications, including highly sensitive sensors. Practical issues, however, have led to the use of bundles of nanotubes in devices, instead of isolated single nanotubes. From a theoretical perspective, the understanding of charge transport in such bundles, and how it is affected by the adsorption of molecules, has been very limited, one of the reasons being the sheer size of the calculations. A frequent option has been the extrapolation of knowledge gained from single tubes to the properties of bundles. In the present work we show that such procedure is not correct, and that there are qualitative differences in the effects caused by molecules on the charge transport in bundles versus isolated nanotubes. Using a combination of density functional theory and recursive Green's function techniques we show that the adsorption of molecules randomly distributed onto the walls of carbon nanotube bundles leads to changes in the charge density and consequently to significant alterations in the conductance even in pristine tubes. We show that this effect is driven by confinement which is not present in isolated nanotubes. Furthermore, a low concentration of dopants randomly adsorbed along a two-hundred nm long bundle drives a change in the transport regime; from ballistic to diffusive, which can account for the high sensitivity to different molecules.

Inverted critical adsorption of polyelectrolytes in confinement

What are the fundamental laws for the adsorption of charged polymers onto oppositely charged surfaces, for convex, planar, and concave geometries? This question is at the heart of surface coating applications, various complex formation phenomena, as well as in the context of cellular and viral biophysics. It has been a long-standing challenge in theoretical polymer physics; for realistic systems the quantitative understanding is however often achievable only by computer simulations. In this study, we present the findings of such extensive Monte-Carlo in silico experiments for polymer-surface adsorption in confined domains. We study the inverted critical adsorption of finite-length polyelectrolytes in three fundamental geometries: planar slit, cylindrical pore, and spherical cavity. The scaling relations extracted from simulations for the critical surface charge density sigma(c)-defining the adsorption-desorption transition-are in excellent agreement with our analytical calculations based on the ground-state analysis of the Edwards equation. In particular, we confirm the magnitude and scaling of sigma(c) for the concave interfaces versus the Debye screening length 1/kappa and the extent of confinement a for these three interfaces for small kappa a values. For large kappa a the critical adsorption condition approaches the known planar limit. The transition between the two regimes takes place when the radius of surface curvature or half of the slit thickness a is of the order of 1/kappa. We also rationalize how sigma(c)(kappa) dependence gets modified for semi-flexible versus flexible chains under external confinement. We examine the implications of the chain length for critical adsorption-the effect often hard to tackle theoretically-putting an emphasis on polymers inside attractive spherical cavities. The applications of our findings to some biological systems are discussed, for instance the adsorption of nucleic acids onto the inner surfaces of cylindrical and spherical viral capsids.

Evidence for Unruh's effect in hardon physics

In order that confinement should survive, light quarks inside hadrons have a very high acceleration and will feel a thermal bath with an Unruh temperature near 137 MeV. We show that this temperature is consistent with the experimentally observed departure from the Gottfried sum rule for the difference of the proton and neutron structure functions in deep inelastic electron scattering.