Isotope Effects in Collisional VT Relaxation of Molecular Hydrogen

A simple exponential-potential model of molecular collisions leads to a two-parameter analytic expression for rates of collisionally induced vibrational-translation (VT) energy exchange that has been shown to be accurate over variations of orders of magnitude as a function of temperature in a variety of systems. This includes excellent agreement with reported experimental and theoretical results for the fundamental self-relaxation rate of molecular hydrogen H2(v = 1) + H2 yields H2(v = 0) + H2. The analytic rate successfully follows the five-orders-of-magnitude change in experimental values for the temperature range 50-2000 K. This approach is now applied to isotope effects in the vibrational relaxation rates of excited HD and D2 in collision with H2: HD(v = 1)+H2 yields HD(v = 0)+H2 and D2(v = 1)+H2 yields D2(v = 0)+H2. The simplicity of the analytic expression for the thermal rate lends itself to convenient application in modeling the evolving vibrational populations of molecular hydrogen in shocked astrophysical environments

Universal Stationary-phase Treatment Of Far-wing And Excimer Spectral Line Shapes

When two atoms are in proximity, their resonance lines are broadened because of the formation of molecular potentials, between which photon transitions can occur. The level of experimental refinement in measuring excimer and collisional far-wing spectra calls for interpretive theoretical methods that accurately treat the observed structure in line shapes. Of particular interest are satellites and undulations, for they can give much information on intermolecular potentials. We derive an expression for T-matrix elements, based on JWKB wave functions and stationary-phase techniques, that is universally applicable to situations with one, two, or more Condon points. Each transition point is treated individually, with effects of potential shape, wave-function phases, and interference separately highlighted. The expression is tested against quantum-mechanical line shapes of the red and blue wings of the Rb D lines broadened by Xe perturbers. Agreement is quite good for both the red-wing undulations and the blue-wing satellite-supernumerary structure. © 1983 The American Physical Society

The second NINDS/NIBIB consensus meeting to define neuropathological criteria for the diagnosis of chronic traumatic encephalopathy

Chronic traumatic encephalopathy (CTE) is a neurodegenerative disorder associated with exposure to head trauma. In 2015, a panel of neuropathologists funded by the NINDS/NIBIB defined preliminary consensus neuropathological criteria for CTE, including the pathognomonic lesion of CTE as an accumulation of abnormal hyperphosphorylated tau (p-tau) in neurons and astroglia distributed around small blood vessels at the depths of cortical sulci and in an irregular pattern, based on review of 25 tauopathy cases. In 2016, the consensus panel met again to review and refine the preliminary criteria, with consideration around the minimum threshold for diagnosis and the reproducibility of a proposed pathological staging scheme. Eight neuropathologists evaluated 27 cases of tauopathies (17 CTE cases), blinded to clinical and demographic information. Generalized estimating equation analyses showed a statistically significant association between the raters and CTE diagnosis for both the blinded (OR = 72.11, 95% CI = 19.5-267.0) and unblinded rounds (OR = 256.91, 95% CI = 63.6-1558.6). Based on the challenges in assigning CTE stage, the panel proposed a working protocol including a minimum threshold for CTE diagnosis and an algorithm for the assessment of CTE severity as Low CTE or High CTE for use in future clinical, pathological, and molecular studies

Development of a device to simulate tooth mobility

Objectives: The testing of new materials under simulation of oral conditions is essential in medicine. For simulation of fracture strength different simulation devices are used for test set-up. The results of these in vitro tests differ because there is no standardization of tooth mobility in simulation devices. The aim of this study is to develop a simulation device that depicts the tooth mobility curve as accurately as possible and creates reproducible and scalable mobility curves. Materials and methods: With the aid of published literature and with the help of dentists, average forms of tooth classes were generated. Based on these tooth data, different abutment tooth shapes and different simulation devices were designed with a CAD system and were generated with a Rapid Prototyping system. Then, for all simulation devices the displacement curves were created with a universal testing machine and compared with the tooth mobility curve. With this new information, an improved adapted simulation device was constructed. Results: A simulations device that is able to simulate the mobility curve of natural teeth with high accuracy and where mobility is reproducible and scalable was developed

Numerical simulations of stellar SiO maser variability. Investigation of the effect of shocks

A stellar hydrodynamic pulsation model has been combined with a SiO maser model in an attempt to calculate the temporal variability of SiO maser emission in the circumstellar envelope (CE) of a model AGB star. This study investigates whether the variations in local physical conditions brought about by shocks are the predominant contributing factor to SiO maser variability because, in this work, the radiative part of the pump is constant. We find that some aspects of the variability are not consistent with a pump provided by shock-enhanced collisions alone. In these simulations, gas parcels of relatively enhanced SiO abundance are distributed in a model CE by a Monte Carlo method, at a single epoch of the stellar cycle. From this epoch on, Lagrangian motions of individual parcels are calculated according to the velocity fields encountered in the model CE during the stellar pulsation cycle. The potentially masing gas parcels therefore experience different densities and temperatures, and have varying line-of-sight velocity gradients throughout the stellar cycle, which may or may not be suitable to produce maser emission. At each epoch (separated by 16.6 days), emission lines from the parcels are combined to produce synthetic spectra and VLBI-type images. We report here the results for v=1, J=1-0 (43-GHz) and J=2-1 (86-GHz) masers.Comment: 16 pages, 8 figures, accepted by A&

The first NINDS/NIBIB consensus meeting to define neuropathological criteria for the diagnosis of chronic traumatic encephalopathy.

Chronic traumatic encephalopathy (CTE) is a neurodegeneration characterized by the abnormal accumulation of hyperphosphorylated tau protein within the brain. Like many other neurodegenerative conditions, at present, CTE can only be definitively diagnosed by post-mortem examination of brain tissue. As the first part of a series of consensus panels funded by the NINDS/NIBIB to define the neuropathological criteria for CTE, preliminary neuropathological criteria were used by 7 neuropathologists to blindly evaluate 25 cases of various tauopathies, including CTE, Alzheimer's disease, progressive supranuclear palsy, argyrophilic grain disease, corticobasal degeneration, primary age-related tauopathy, and parkinsonism dementia complex of Guam. The results demonstrated that there was good agreement among the neuropathologists who reviewed the cases (Cohen's kappa, 0.67) and even better agreement between reviewers and the diagnosis of CTE (Cohen's kappa, 0.78). Based on these results, the panel defined the pathognomonic lesion of CTE as an accumulation of abnormal hyperphosphorylated tau (p-tau) in neurons and astroglia distributed around small blood vessels at the depths of cortical sulci and in an irregular pattern. The group also defined supportive but non-specific p-tau-immunoreactive features of CTE as: pretangles and NFTs affecting superficial layers (layers II-III) of cerebral cortex; pretangles, NFTs or extracellular tangles in CA2 and pretangles and proximal dendritic swellings in CA4 of the hippocampus; neuronal and astrocytic aggregates in subcortical nuclei; thorn-shaped astrocytes at the glial limitans of the subpial and periventricular regions; and large grain-like and dot-like structures. Supportive non-p-tau pathologies include TDP-43 immunoreactive neuronal cytoplasmic inclusions and dot-like structures in the hippocampus, anteromedial temporal cortex and amygdala. The panel also recommended a minimum blocking and staining scheme for pathological evaluation and made recommendations for future study. This study provides the first step towards the development of validated neuropathological criteria for CTE and will pave the way towards future clinical and mechanistic studies

Computing DC discharges in a wide range of currents with COMSOL MultiPhysics: time-dependent solvers vs. stationary solvers

The benefits of the usage of stationary over time-dependent solvers of COMSOL Multiphysics in the modelling of DC discharges are explored and demonstrated using as examples glow and high pressure arc discharges; in particular, it is investigated whether time-dependent solvers can be used for a systematic computation of different modes of these discharges. It has been found that most modes of both glow and high-pressure arc discharges cannot be computed in the whole range of their existence by a time-dependent solver. Further, time-dependent solvers are unsuitable for a computation of all the states belonging to the retrograde sections of the current-voltage characteristics of the modes, so the discharge manifests hysteresis, which, in principle, can be observed in the experiment.info:eu-repo/semantics/publishedVersio

Toward a simulation approach for alkene ring-closing metathesis : scope and limitations of a model for RCM

A published model for revealing solvent effects on the ring-closing metathesis (RCM) reaction of di-Et diallylmalonate 7 has been evaluated over a wider range of conditions, to assess its suitability for new applications. Unfortunately, the model is too flexible and the published rate consts. do not agree with exptl. studies in the literature. However, by fixing the values of important rate consts. and restricting the concn. ranges studied, useful conclusions can be drawn about the relative rates of RCM of different substrates, precatalyst concn. can be simulated accurately and the effect of precatalyst loading can be anticipated. Progress has also been made toward applying the model to precatalyst evaluation, but further modifications to the model are necessary to achieve much broader aims

Toward a Reliable Wave Hindcast/Forecast in the Bering Sea

1. To validate the quality of available wind products through application of the WAM model Cycle 4.5 and satellite observations. 2. To analyze effects of high resolution atmospheric model downscaling and data assimilation. 3. To analyze summer surface wave condition in the Bering Sea during the years, 2007-2011. 4. To explore the possibility of developing a new algorithm for a dynamically constrained minimizing function without employing the adjoint of the dynamical system