WebChem Viewer: a tool for the easy dissemination of chemical and structural data sets.

BackgroundSharing sets of chemical data (e.g., chemical properties, docking scores, etc.) among collaborators with diverse skill sets is a common task in computer-aided drug design and medicinal chemistry. The ability to associate this data with images of the relevant molecular structures greatly facilitates scientific communication. There is a need for a simple, free, open-source program that can automatically export aggregated reports of entire chemical data sets to files viewable on any computer, regardless of the operating system and without requiring the installation of additional software.ResultsWe here present a program called WebChem Viewer that automatically generates these types of highly portable reports. Furthermore, in designing WebChem Viewer we have also created a useful online web application for remotely generating molecular structures from SMILES strings. We encourage the direct use of this online application as well as its incorporation into other software packages.ConclusionsWith these features, WebChem Viewer enables interdisciplinary collaborations that require the sharing and visualization of small molecule structures and associated sets of heterogeneous chemical data. The program is released under the FreeBSD license and can be downloaded from http://nbcr.ucsd.edu/WebChemViewer. The associated web application (called "Smiley2png 1.0") can be accessed through freely available web services provided by the National Biomedical Computation Resource at http://nbcr.ucsd.edu

Meson Exchange Currents in (e,e'p) recoil polarization observables

A study of the effects of meson-exchange currents and isobar configurations in $A(\vec{e},e'\vec{p})B$ reactions is presented. We use a distorted wave impulse approximation (DWIA) model where final-state interactions are treated through a phenomenological optical potential. The model includes relativistic corrections in the kinematics and in the electromagnetic one- and two-body currents. The full set of polarized response functions is analyzed, as well as the transferred polarization asymmetry. Results are presented for proton knock-out from closed-shell nuclei, for moderate to high momentum transfer.Comment: 44 pages, 18 figures. Added physical arguments explaining the dominance of OB over MEC, and a summary of differences with previous MEC calculations. To be published in PR

A study of the structure of jet turbulence producing jet noise

Characteristics of turbulent structure of mixing region near outlet of circular subsonic jet and production of jet nois

Nuclear effects in charged-current quasielastic neutrino-nucleus scattering

After a short review of the recent developments in studies of neutrino-nucleus interactions, the predictions for double-differential and integrated charged current-induced quasielastic cross sections are presented within two different relativistic approaches: one is the so-called SuSA method, based on the superscaling behavior exhibited by electron scattering data; the other is a microscopic model based on relativistic mean field theory, and incorporating final-state interactions. The role played by the meson-exchange currents in the two-particle two-hole sector is explored and the results are compared with the recent MiniBooNE data.Comment: 12 pages, 9 figures, to appear in the Proceedings of "XIII Convegno di Cortona su Problemi di Fisica Nucleare Teorica", Cortona (Italy), April 6-8, 201

Neutrino and antineutrino CCQE scattering in the SuperScaling Approximation from MiniBooNE to NOMAD energies

We compare the predictions of the SuperScaling model for charged current quasielastic muonic neutrino and antineutrino scattering from $^{12}$C with experimental data spanning an energy range up to 100 GeV. We discuss the sensitivity of the results to different parametrizations of the nucleon vector and axial-vector form factors. Finally, we show the differences between electron and muon (anti-)neutrino cross sections relevant for the $\nu$STORM facility.Comment: 14 pages, 7 figures; v2: small corrections in the text and two added references; version accepted for publication by Phys. Lett.

Analysis of Meson Exchange and Isobar Currents in (e,e'p) Reactions from O-16

An analysis of the effects of meson exchange and isobar currents in exclusive (e,e'p) processes from O-16 under quasi-free kinematics is presented. A model that has probed its feasibility for inclusive quasi-elastic (e,e') processes is considered. Sensitivity to final state interactions between the outgoing proton and the residual nucleus is discussed by comparing the results obtained with phenomenological optical potentials and a continuum nuclear shell-model calculation. The contribution of the meson-exchange and isobar currents to the response functions is evaluated and compared to previous calculations, which differ notably from our results. These two-body contributions cannot solve the puzzle of the simultaneous description of the different responses experimentally separated. Copyright 1999 by The American Physical SocietyComment: 5 pages, plus 3 PS figures. To be published in Phys. Rev. C Updated figure

Report

Information about the position of sensory objects and identifying their concurrent behavioral relevance is vital to navigate the environment. In the auditory system, spatial information is computed in the brain based on the position of the sound source relative to the observer and thus assumed to be egocentric throughout the auditory pathway. This assumption is largely based on studies conducted in either anesthetized or head-fixed and passively listening animals, thus lacking self-motion and selective listening. Yet these factors are fundamental components of natural sensing' that may crucially impact the nature of spatial coding and sensory object representation.(2) How individual objects are neuronally represented during unrestricted self-motion and active sensing remains mostly unexplored. Here, we trained gerbils on a behavioral foraging paradigm that required localization and identification of sound sources during free navigation. Chronic tetrode recordings in primary auditory cortex during task performance revealed previously unreported sensory object representations. Strikingly, the egocentric angle preference of the majority of spatially sensitive neurons changed significantly depending on the task-specific identity (outcome association) of the sound source. Spatial tuning also exhibited large temporal complexity. Moreover, we encountered egocentrically untuned neurons whose response magnitude differed between source identities. Using a neural network decoder, we show that, together, these neuronal response ensembles provide spatiotemporally co-existent information about both the egocentric location and the identity of individual sensory objects during self-motion, revealing a novel cortical computation principle for naturalistic sensing

Vacuumless kinks systems from vacuum ones, an example

Some years ago, Cho and Vilenkin, introduced a model which presents topological solutions, despite not having degenerate vacua as is usually expected. Here we present a new model with topological defects, connecting degenerate vacua but which in a certain limit recovers precisely the one proposed originally by Cho and Vilenkin. In other words, we found a kind of parent model for the so called vacuumless model. Then the idea is extended to a model recently introduced by Bazeia et al. Finally, we trace some comments the case of the Liouville model.Comment: 11 pages, 4 figure

Transformer Oil Passivation and Impact of Corrosive Sulphur

In recent years a significant volume of research has been undertaken in order to understand the recent failures in oil insulated power apparatus due to deposition of copper sulphide on the conductors and in the insulation paper. Dibenzyl Disulfide (DBDS) has been found to be the leading corrosive sulphur compound in the insulation oil [1]. The process of copper sulphide formation and the deposition in the paper is still being investigated, but a recently proposed method seems to be gaining some confidence [1]. This method suggests a two-step process; initially the DBDS and some oil soluble copper complexes are formed. Secondly the copper complexes are absorbed in the paper insulation, where they then decompose into copper sulphide [2]. The most commonly used mitigating technique for corrosive sulphur contaminated oil is passivation, normally using Irgamet 39 or 1, 2, 3-benzotriazole (BTA). The passivator is diluted into the oil to a concentration of around 100ppm, where it then reacts with the copper conductors to form a complex layer around the copper, preventing it from interacting with DBDS compounds and forming copper sulphide. This research project will investigate the electrical properties of HV transformers which have tested positive for corrosive sulphur, and the evolution of those properties as the asset degrades due to sulphur corrosion. Parallel to this the long term properties of transformers with passivated insulation oil will be analysed in order to understand the passivator stability and whether it is necessary to keep adding the passivator to sustain its performance. Condition monitoring techniques under investigation will include dielectric spectroscopy, frequency response analysis, recovery voltage method (aka interfacial polarisation) amongst others. Partial discharge techniques will not be investigated, as the voltage between the coil plates is low and therefore it will not contribute significantly to the overall insulation breakdown, in corrosive oil related faults [3]. The goal of this research is to establish key electrical properties in both passivated and non-passivated power transformers that demonstrate detectable changes as the equipment degrades due to the insulation oil being corrosive

Editorial: Functional fitness/high intensity functional training for health and performance

Functional fitness training (FFT) is an emerging fitness trend that emphasizes functional, multi-joint movements, including aerobic (e.g., cycling, rowing, running) and strength exercises (e.g., weightlifting and derivatives: squat, snatch, clean and jerk, bench press, deadlift; bodyweight exercises: air squat, push-up, pull-up, muscle-up; plyometrics: box jumps, tuck ups) (Claudino et al., 2018; Feito et al., 2018). Researchers have shown that FFT may be not only suitable for professional athletes but also for populations with different fitness levels. Indeed, it is suggested that FFT elicits greater muscle recruitment than aerobic exercises alone, thereby improving both endurance and muscular strength and power (Bergeron et al., 2011; Claudino et al., 2018; Feito et al., 2018; Schlegel, 2020; Sharp et al., 2022). However, FFT units (i.e., workouts) are highly varied daily, and more research is needed to clarify its acute effects and its associated chronic training adaptations (Bergeron et al., 2011; Claudino et al., 2018; Feito et al., 2018; Schlegel, 2020; Sharp et al., 2022). Therefore, the aim of this Research Topic is to increase the knowledge of the evidence-based effects and adaptations of implementing FFT on health and performance in individuals with different biological conditions