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At least 235 records · Page 13Linked to original sources

Anomalous mixing behavior of polyisobutylene/polypropylene blends: molecular dynamics simulation study.

The unusual mixing behavior of polyisobutylene (PIB) with head-to-head (hhPP) and head-to-tail polypropylene (PP) is studied using large-scale molecular dynamics (MD). The heats of mixing and Flory chi parameters were computed from MD simulations of both blends using a united atom model. The chi parameters from the simulations were estimated from the structure factors using the random phase approximation in analogy with neutron scattering (SANS) experiments. MD simulations for syndiotactic hhPP/PIB predicted a lower critical solution temperature with a chi parameter in very good agreement with SANS experiments on the atactic hhPP/PIB blend. MD simulations also predicted that the isotactic PP/PIB blend was immiscible at high molecular weight in qualitative agreement with cloud point measurements on atactic PP/PIB.

Journal Article↗

Superstitious perceptions reveal properties of internal representations.

Everyone has seen a human face in a cloud, a pebble, or blots on a wall. Evidence of superstitious perceptions has been documented since classical antiquity, but has received little scientific attention. In the study reported here, we used superstitious perceptions in a new principled method to reveal the properties of unobservable object representations in memory. We stimulated the visual system with unstructured white noise. Observers firmly believed that they perceived the letter S in Experiment 1 and a smile on a face in Experiment 2. Using reverse correlation and computational analyses, we rendered the memory representations underlying these superstitious perceptions.

Adult↗

Integration of intraoperative radiotherapy (IORT) dose distribution into the postoperative CT-based external beam radiotherapy (EBRT) treatment planing.

In the treatment of malignant disease external beam radiation therapy (EBRT) is often combined with surgery. Intraoperative radiotherapy (IORT) improves the local control by dose escalation. For reasons of recording, improvement and security of the intervention, it would be necessary to merge the IORT-dose distribution with the postoperative CT-based EBRT-planing. The aim of this work was to develop a method to reconstruct the IORT field and register it with the postoperative planing CT. This enables the reconstruction of the IORT dose distribution and merge it with the CT-based EBRT planing data. We use a surface scanner to receive a large amount of surface points which enables us reconstruct the IORT-field and to register it with the CT-based EBRT planning data. Scanning and calculation time is not over 2 seconds, depending mainly on the CPU power. The error of a single point is below 1 mm. The density of the point cloud is approx. 4 per mm2. In this paper we give an overview of our experimental setup and the accuracy of the method.

Brachytherapy↗

Applications of neural network methods to the processing of earth observation satellite data.

The new generation of earth observation satellites carries advanced sensors that will gather very precise data for studying the Earth system and global climate. This paper shows that neural network methods can be successfully used for solving forward and inverse remote sensing problems, providing both accurate and fast solutions. Two examples of multi-neural network systems for the determination of cloud properties and for the retrieval of total columns of ozone using satellite data are presented. The developed algorithms based on multi-neural network are currently being used for the operational processing of European atmospheric satellite sensors and will play a key role in related satellite missions planed for the near future.

Computer Simulation↗

[A case of liver cirrhosis associated with chronic subdural hematoma and hepatic encephalopathy].

A 58-year-old male liver cirrhosis patient, who had a history of recurrent hepatic encephalopathy, was admitted to our hospital because of clouding of consciousness. He had an episode of recent head trauma. On admission, he was drowsy and exhibited flapping tremor, fetor hepaticus and ascites. Laboratory data showed an increase in blood ammonia level, and a decrease in peripheral thrombocytes, serum albumin and prothrombin value. A ratio of branched-chain to aromatic amino acids was reduced. Antibody against hepatitis C virus was positive. His electroencephalogram showed bilaterally large synchronous slow waves. He was treated with intravenous branched-chain amino acids, and recovered. Cranial computed tomography on day 9 demonstrated a crescent shaped area of low density in the right frontotempoparietal subdural region. He was diagnosed as chronic subdural hematoma, which was treated surgically. It has been suggested that chronic subdural hematomas develop as a complication of hemostatic deficiency due to liver cirrhosis.

Chronic Disease↗

The carbon budget in the outer solar nebula.

Detailed models of the internal structures of Pluto and Charon, assuming rock and water ice as the only constituents, indicate that the mean silicate mass fraction of this two-body system is on the order of 0.7; thus the Pluto/Charon system is significantly "rockier" than the satellites of the giant planets (silicate mass fraction approximately 0.55). This compositional contrast reflects different formation mechanisms: it is likely that Pluto and Charon formed directly from the solar nebula, while the circumplanetary nebulae that produced the giant planet satellites were derived from envelopes that surrounded the forming giant planets (envelopes in which icy planetesimals dissolved more readily than rocky planetesimals). Simple cosmic abundance calculations, and the assumption that the Pluto/Charon system formed directly from solar nebula condensates, strongly suggest that the majority of the carbon in the outer solar nebula was in the form of carbon monoxide; these results are consistent with (1) inheritance from the dense molecular clouds in the interstellar medium (where CH4/CO < 10(-2) in the gas phase) and/or (2) of the Lewis and Prinn kinetic inhibition model of solar nebula chemistry. Theoretical predictions of the C/H enhancements in the atmospheres of the giant planets, when compared to the actual observed enhancements, suggest that 10%, or slightly more, of the carbon in the outer solar nebula was in the form of condensed materials (although the amount of condensed C may have dropped slightly with increasing heliocentric distance). Strict compositional limits computed for the Pluto/Charon system using the densities of CH4 and CO ices indicate that these pure ices are at best minor components in the interiors of these bodies, and imply that CH4 and CO ices were not the dominant C-bearing solids in the outer nebula. Clathrate-hydrates could not have appropriated enough CH4 or CO to be the major form of condensed carbon, although such clathrates may be necessary to explain the presence of methane on Pluto after its formation from a CO-rich nebula. Laboratory studies of carbonaceous chondrites, and spacecraft observations of Comet Halley, strongly suggest that of the remaining possibilities, organic material, rather than elemental carbon, is the most likely candidate for the dominant C-bearing solid in the outer solar nebula. We conclude that the majority of the carbon in the outer solar nebula was in gaseous CO; 10% to a few tens of percent of the C was in condensed organic materials; and at least a trace amount of carbon was in methane gas.

Carbon↗

Future directions of meteorology related to air-quality research.

Meteorology is one of the major factors contributing to air-pollution episodes. More accurate representation of meteorological fields has been possible in recent years through the use of remote sensing systems, high-speed computers and fine-mesh meteorological models. Over the next 5-20 years, better meteorological inputs for air quality studies will depend on making better use of a wealth of new remotely sensed observations in more advanced data assimilation systems. However, for fine mesh models to be successful, parameterizations used to represent physical processes must be redesigned to be more precise and better adapted for the scales at which they will be applied. Candidates for significant overhaul include schemes to represent turbulence, deep convection, shallow clouds, and land-surface processes. Improvements in the meteorological observing systems, data assimilation and modeling, coupled with advancements in air-chemistry modeling, will soon lead to operational forecasting of air quality in the US. Predictive capabilities can be expected to grow rapidly over the next decade. This will open the way for a number of valuable new services and strategies, including better warnings of unhealthy atmospheric conditions, event-dependent emissions restrictions, and now casting support for homeland security in the event of toxic releases into the atmosphere.

Air Movements↗

The first stars in the universe and cosmic reionization.

The earliest generation of stars, far from being a mere novelty, transformed the universe from darkness to light. The first atoms to form after the Big Bang filled the universe with atomic hydrogen and a few light elements. As gravity pulled gas clouds together, the first stars ignited and their radiation turned the surrounding atoms into ions. By looking at gas between us and distant galaxies, we know that this ionization eventually pervaded all space, so that few hydrogen atoms remain today between galaxies. Knowing exactly when and how it did so is a primary goal of cosmologists, because this would tell us when the early stars formed and in what kinds of galaxies. Although this ionization is beginning to be understood by using theoretical models and computer simulations, a new generation of telescopes is being built that will map atomic hydrogen throughout the universe.

Journal Article↗

Isolated star formation: from cloud formation to core collapse.

The formation of stars is one of the most fundamental problems in astrophysics, as it underlies many other questions, on scales from the formation of galaxies to the formation of the solar system. The physical processes involve the turbulent behavior of a partially ionized medium containing a non-uniform magnetic field. Current debate centers around the time taken for turbulence to decay and the relative importance of the roles played by magnetic fields and turbulence. Technological advances such as millimeter-wave cameras have made possible observations of the temperature and density profiles, and statistical calculations of the lifetimes, of objects collapsing under their own self-gravity and those on the verge of collapse. Increased computing power allows more complex models to be made that include magnetic and turbulent effects. No current model can reproduce all of the observations.

Journal Article↗

Phase coexistence in polydisperse multi-Yukawa hard-sphere fluid: high temperature approximation.

High temperature approximation (HTA) is used to describe the phase behavior of polydisperse multi-Yukawa hard-sphere fluid mixtures. It is demonstrated that in the frames of the HTA the model belongs to the class of "truncatable free energy models," i.e., the models with thermodynamical properties (Helmholtz free energy, chemical potential, and pressure) defined by the finite number of generalized moments. Using this property we were able to calculate the complete phase diagram (i.e., cloud and shadow curves as well as binodals) and size distribution functions of the coexisting phases of several different models of polydisperse fluids. In particular, we consider polydisperse one-Yukawa hard-sphere mixture with factorizable Yukawa coefficients and polydisperse Lennard-Jones (LJ) mixture with interaction energy parameter and/or size polydispersity. To validate the accuracy of the HTA we compare theoretical results with previously published results of more advanced mean spherical approximation (MSA) for the one-Yukawa model and with the Monte Carlo (MC) computer simulation results of [Wilding et al. J. Chem. Phys. 121, 6887 (2004); Phys. Rev. Lett. 95, 155701 (2005)] for the LJ model. We find that overall predictions of the HTA are in reasonable agreement with predictions of the MSA and MC, with the accuracy range from semiquantitative (for the phase diagram) to quantitative (for the size distribution functions).

Journal Article↗

Automating the flight surgeon's report, simplifying the investigative-reportage task, and enhancing the data quality and depth: a concept.

Current U.S. Navy medical officers' investigative reports concerning aviation mishaps are filed on paper form Flight Surgeon's Reports (FSRs). Typically, the investigating medical officer has not investigated many mishaps and needs guidance to assure the thorough collection and reportage of available information, including that which often might seem at first to be extremely insignificant. Additionally, the FSRs often contain errors capable of being detected and corrected, as well as entries that appear questionnable and require verification. Often the FSR is laced with blanks which cloud interpretation: are these blanks the result of an actual non-availability of information, losses of information, or simply errors of omission? A positive statement for each blank, even a statement that the data were not available, would greatly aid those who later use the reports for analyses. Proposed herein is an approach for reducing the investigating medical officer's problems in collecting, collating, and reporting information, thereby enhancing the quality and completeness of the data, reducing the cost of data entry into Naval Safety Center computers, and, ultimately, enhancing the knowledge of the aircrew automated escape system and aircrew life support system community concerning the conditions of use and the performance of their equipment in emergency situations. Such knowledge enhancement should result in significant improvements in aircrew equipment and the effectiveness and safety of the aircrews.

Accidents, Aviation↗

Spatio-temporal dynamics of cavitation bubble clouds in a low frequency reactor: comparison between theoretical and experimental results.

The propagation of ultrasound through a liquid induces the growth of inceptions and germs into bubbles. In a low frequency reactor, fragmentary transient bubbles emerge due to the acoustic driving. They violently collapse in one cycle and fragment into many smaller bubbles than in turn cavitate. This violent collapse is responsible for the mechanical effects of ultrasounds effects. The latter bubbles gather in a ball-shaped cloud and migrate to pressure antinodes. During their migration, their nonexplosive collapses mainly contribute to activate chemical reactions by producing OH. radicals. Mathematical modelling is performed as a new approach to predict the bubbles field. Through numerical simulation, we determinate emergence sites of mechanically active cavitation bubbles. Calculus are compared with aluminium foil degradation. The modelling of bubble migration allow us to have an insight on the privileged sites of the chemical reactions. Validation of the modelling is made through direct comparison with chemiluminescence photo. All experiments and computations are made in a 28.2 kHz sonoreactor.

Journal Article↗

Semimicroscopic theory of elasticity near the vulcanization transition

Randomly cross-linked macromolecules undergo a liquid to amorphous-solid phase transition at a critical cross-link concentration. This transition has two main signatures: the random localization of a fraction of the monomers and the emergence of a nonzero static shear modulus. In this paper, a semimicroscopic statistical mechanical theory of the elastic properties of the amorphous solid state is developed. This theory takes into account both quenched disorder and thermal fluctuations, and allows for the direct computation of the free energy change of the sample due to a given macroscopic shear strain. This leads to an unambiguous determination of the static shear modulus. At the level of mean field theory, it is found (i) that the shear modulus grows continuously from zero at the transition, and does so with the classical exponent, i.e., with the third power of the excess cross-link density and, quite surprisingly, (ii) that near the transition the external stresses do not spoil the spherical symmetry of the localization clouds of the particles.

Journal Article↗

Children with attention-deficit/hyperactivity disorder and comorbid oppositional defiant disorder: an EEG analysis.

This study investigated EEG differences between two groups of children with attention-deficit/hyperactivity disorder combined type (ADHD), with or without comorbid oppositional defiant disorder (ODD), and normal control subjects. Each group consisted of 20 males. All subjects were between the ages of 8 and 12 years, and groups were matched on age. EEG was recorded during an eyes-closed resting condition from 21 monopolar derivations, which were clustered into nine regions for analysis. The EEGs were Fourier transformed to provide absolute and relative power estimates for the delta, theta, alpha and beta bands. Values were also calculated for the theta/alpha and theta/beta ratios. The ADHD groups had more absolute and relative theta than the control group. Regionally, the ADHD groups had less relative alpha and more relative delta in posterior regions, and less relative beta in the frontal regions, than the control group. These differences were also apparent in both ratio measures. Only two significant topographic differences were found between the ADHD groups, with both of these being less deviant from normality in the ADHD+ODD group than the ADHD group. These results indicate that EEG correlates of ADHD are not clouded by the presence of comorbid ODD, which suggests possible applications in clinical practice.

Alpha Rhythm↗

Topical diphenhydramine toxicity.

This paper will review an acute onset of mental confusion associated with hallucinations secondary to vigorous administration of topical Caladryl lotion and Benadryl spray in an 8-year-old boy with chickenpox. The article discusses the toxicity of both oral and topical diphenhydramine use, along with the differentiation of varicella encephalitis from diphenhydramine toxicity. Delirium can be described as an acute clouding of consciousness associated with visual and tactile hallucinations, disorientation, and misperceptions. In a child who is already suffering from an infectious illness, encephalitis must be high on the list of the physician's differential diagnosis. The physician, however, must never overlook ingestions, even from topical, over-the-counter medications. The case described illustrates this point. Although this appears to be the fourth case report on this subject, the diagnosis was partially obscured by the fact that the local pharmacist could not find any documented cases despite a computer search of diphenhydramine toxicity at the time of admission and the report of only one or two cases by the Parke-Davis pharmacist.

Administration, Topical↗

The Rossby Centre Regional Atmospheric Climate Model part I: model climatology and performance for the present climate over Europe.

The Rossby Centre Atmospheric Regional Climate Model (RCA2) is described and simulation results, for the present climate over Europe, are evaluated against available observations. Systematic biases in the models mean climate and climate variability are documented and key parameterization weaknesses identified. The quality of near-surface parameters is investigated in some detail, particularly temperature, precipitation, the surface energy budget and cloud cover. The model simulates the recent, observed climate and variability with a high degree of realism. Compensating errors in the components of the surface radiation budget are highlighted and the fundamental causes of these biases are traced to the relevant aspects of the cloud, precipitation and radiation parameterizations. The model has a tendency to precipitate too frequently at small rates, this has a direct impact on the simulation of cloud-radiation interaction and surface temperatures. Great care must be taken in the use of observations to evaluate high resolution RCMs, when they are forced by analyzed boundary conditions. This is particularly true with respect to precipitation and cloudiness, where observational uncertainty is often larger than the RCM bias.

Atmosphere↗

Computation of through-space NMR shielding effects by aromatic ring-cation complexes: substantial synergistic effect of complexation.

The HF-GIAO method in Gaussian 03 was employed to calculate the NMR isotropic shielding values of a diatomic hydrogen probe and to predict the through-space proton NMR shielding increment surfaces above benzene complexed with ammonium, lithium, sodium, potassium, magnesium or calcium ion. The sum of the calculated isotropic shielding values for the proximal hydrogen of a diatomic hydrogen probe over benzene and those calculated at appropriate positions relative to cations were subtracted from the isotropic shielding values calculated for the complexes. The result is a shielding increment for complexation. Complexation results in a synergistic effect on NMR shielding. Enhanced shielding was observed over the pi electron cloud of benzene upon complexation with the cations, more than the sum of the separate effects of the aromatic ring and the charge. The results are interpreted in terms of polarization of the pi cloud of benzene by the cation and its consequences.

Algorithms↗

Radial stratification of ions as a function of mass to charge ratio in collisional cooling radio frequency multipoles used as ion guides or ion traps.

Collisional cooling in radio frequency (RF) ion guides has been used in mass spectrometry as an intermediate step during the transport of ions from high pressure regions of an ion source into high vacuum regions of a mass analyzer. Such collisional cooling devices are also increasingly used as 'linear', two-dimensional (2D) ion traps for ion storage and accumulation to achieve improved sensitivity and dynamic range. We have used the effective potential approach to study m/z dependent distribution of ions in the devices. Relationships obtained for the ideal 2D multipole demonstrate that after cooling the ion cloud forms concentric cylindrical layers, each of them composed of ions having the same m/z ratio; the higher the m/z, the larger is the radial position occupied by the ions. This behavior results from the fact that the effective RF focusing is stronger for ions of lower m/z, pushing these ions closer to the axis. Radial boundaries of the layers are more distinct for multiply charged ions, compared to singly charged ions having the same m/z and charge density. In the case of sufficiently high ion density and low ion kinetic energy, we show that each m/z layer is separated from its nearest neighbor by a radial gap of low ion density. The radial gaps of low ion population between the layers are formed due to the space charge repulsion. Conditions for establishing the m/z stratified structure include sufficiently high charge density and adequate collisional relaxation. These conditions are likely to occur in collisional RF multipoles operated as ion guides or 2D ion traps for external ion accumulation. When linear ion density increases, the maximum ion cloud radius also increases, and outer layers of high m/z ions approach the multipole rods and may be ejected. This 'overfilling' of the multipole capacity results in a strong discrimination against high m/z ions. A relationship is reported for the maximum linear ion density of a multipole that is not overfilled.

Algorithms↗