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https://www.readbyqxmd.com/read/29044952/protocol-for-computational-enzymatic-reactivity-based-on-geometry-optimisation
#1
Nuno Sousa Cerqueira, Pedro Fernandes, Maria João Ramos
Enzymes play a biologically essential role in performing and controlling an important share of the chemical processes occurring in life. However, despite their critical role in nature, attaining a clear understanding of the way an enzyme acts is still cumbersome. Computational enzymology is playing an increasingly important role in this field of research. It allows to elucidate and present the complete and detailed mechanisms of enzymatic reactions, including the characterization of reaction intermediates and transition states from both structural and energetic points of view, something that no other single experiment can produce alone...
October 16, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/29044156/open-source-3d-multipurpose-measurement-system-with-submillimetre-fidelity-and-first-application-in-magnetic-resonance
#2
Haopeng Han, Raphael Moritz, Eva Oberacker, Helmar Waiczies, Thoralf Niendorf, Lukas Winter
Magnetic resonance imaging (MRI) is the mainstay of diagnostic imaging, a versatile instrument for clinical science and the subject of intense research interest. Advancing clinical science, research and technology of MRI requires high fidelity measurements in quantity, location and time of the given physical property. To meet this goal a broad spectrum of commercial measurement systems has been made available. These instruments frequently share in common that they are costly and typically employ closed proprietary hardware and software...
October 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29043762/food-deserts-in-winnipeg-canada-a-novel-method-for-measuring-a-complex-and-contested-construct
#3
Joyce Slater, Stefan Epp-Koop, Megan Jakilazek, Chris Green
INTRODUCTION: "Food deserts" have emerged over the past 20 years as spaces of concern for communities, public health authorities and researchers because of their potential negative impact on dietary quality and subsequent health outcomes. Food deserts are residential geographic spaces, typically in urban settings, where low-income residents have limited or no access to retail food establishments with sufficient variety at affordable cost. Research on food deserts presents methodological challenges including retail food store identification and classification, identification of low-income populations, and transportation and proximity metrics...
October 2017: Health Promotion and Chronic Disease Prevention in Canada
https://www.readbyqxmd.com/read/29042510/the-misleading-narrative-of-the-canonical-faculty-productivity-trajectory
#4
Samuel F Way, Allison C Morgan, Aaron Clauset, Daniel B Larremore
A scientist may publish tens or hundreds of papers over a career, but these contributions are not evenly spaced in time. Sixty years of studies on career productivity patterns in a variety of fields suggest an intuitive and universal pattern: Productivity tends to rise rapidly to an early peak and then gradually declines. Here, we test the universality of this conventional narrative by analyzing the structures of individual faculty productivity time series, constructed from over 200,000 publications and matched with hiring data for 2,453 tenure-track faculty in all 205 PhD-granting computer science departments in the United States and Canada...
October 17, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/29041950/convenience-without-disclosure-a-formative-research-study-of-a-proposed-integrated-methadone-and-antiretroviral-therapy-service-delivery-model-in-dar-es-salaam-tanzania
#5
Alexis Cooke, Haneefa Saleem, Dorothy Mushi, Jessie Mbwambo, Saria Hassan, Barrot H Lambdin
BACKGROUND: Though timely initiation of antiretroviral therapy (ART) is a vital component of effective HIV prevention, care and treatment, people who inject drugs are less likely to receive ART than their non-drug using counterparts. In an effort to increase access to ART for people who inject drugs, we examined perceived benefits, challenges, and recommendations for implementing an integrated methadone and ART service delivery model at an opioid treatment program (OTP) clinic in Dar es Salaam, Tanzania...
October 18, 2017: Addiction Science & Clinical Practice
https://www.readbyqxmd.com/read/29040934/calibration-to-tool-use-during-visually-guided-reaching
#6
Brian Day, Elham Ebrahimi, Leah S Hartman, Christopher C Pagano, Sabarish V Babu
In studying human perception and performance researchers must understand how the body schema is modified to accurately represent one's capabilities when tools are used, as humans use tools that alter their capabilities frequently. The present work tested the idea that calibration is responsible for modifying an embodied action schema during tool use. We investigated calibration in the context of manual activity in near space through a behavioral measure. Participants made blind reaches to various visual distances in pre- and post-test phases using a short tool that did not extend their reach...
October 14, 2017: Acta Psychologica
https://www.readbyqxmd.com/read/29040545/ethnicity-and-place-the-geography-of-diabetes-inequalities-under-a-strong-welfare-state
#7
Elias Nosrati, Anne Karen Jenum, Anh Thi Tran, Sir Michael Marmot, Lawrence Peter King
Background: The Nordic 'health paradox' designates the seemingly puzzling empirical reality in which, despite the presence of strong welfare policies targeting structural inequalities, distinct health disparities persist in Scandinavian societies. In Norway, previous research has shown that inequalities in diabetes prevalence are particularly salient, notably between ethnic groups. These have often been attributed to lifestyle, socioeconomic factors, or genetics. No previous research has sought to investigate the sociospatial mediation of diabetes inequities...
October 10, 2017: European Journal of Public Health
https://www.readbyqxmd.com/read/29040015/distinct-representations-of-magnitude-and-spatial-position-within-parietal-cortex-during-number-space-mapping
#8
Frank J Kanayet, Andrew Mattarella-Micke, Peter J Kohler, Anthony M Norcia, Bruce D McCandliss, James L McClelland
Mapping numbers onto space is foundational to mathematical cognition. These cognitive operations are often conceptualized in the context of a "mental number line" and involve multiple brain regions in or near the intraparietal sulcus (IPS) that have been implicated both in numeral and spatial cognition. Here we examine possible differentiation of function within these brain areas in relating numbers to spatial positions. By isolating the planning phase of a number line task and introducing spatiotopic mapping tools from fMRI into the mental number line task research, we are able to focus our analysis on the neural activity of areas in anterior IPS (aIPS) previously associated with number processing and on spatiotopically organized areas in and around posterior IPS (pIPS), while participants prepare to place a number on a number line...
October 17, 2017: Journal of Cognitive Neuroscience
https://www.readbyqxmd.com/read/29039756/creative-arts-therapies-as-temporary-home-for-refugees-insights-from-literature-and-practice
#9
Rebekka Dieterich-Hartwell, Sabine C Koch
One of the frequently overlooked psychosocial problems of refugees is the phenomenon of homesickness. Being forced into exile and unable to return home may cause natural feelings of nostalgia but may also result in emotional, cognitive, behavioral and physical adversities. According to the literature, the creative arts therapies with their attention to preverbal language-music, imagery, dance, role play, and movement-are able to reach individuals through the senses and promote successive integration, which can lead to transformation and therapeutic change...
October 17, 2017: Behavioral Sciences
https://www.readbyqxmd.com/read/29039657/ternary-inorganic-compounds-containing-carbon-nitrogen-and-oxygen-at-high-pressures
#10
Brad A Steele, Ivan I Oleynik
Ternary CxNyOz compounds are actively researched as novel high energy density and ultrahard materials. Although some synthesis work has been performed at ambient conditions, very little is known about the high pressure chemistry of of CxNyOz compounds. In this work, first-principles variable-composition evolutionary structure prediction calculations are performed with the goal of discovering novel mixed CxNyOz materials at ambient and high pressure conditions. By systematically searching ternary variable composition crystalline materials, the full ternary phase diagram is constructed in the range of pressures from 0 to 100 GPa...
October 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/29039264/-football-is-a-boys-game-children-s-perceptions-about-barriers-for-physical-activity-during-recess-time
#11
Maria Martínez-Andrés, Raquel Bartolomé-Gutiérrez, Beatriz Rodríguez-Martín, Maria Jesus Pardo-Guijarro, Vicente Martínez-Vizcaíno
The aim of the study was to know the factors that influence boys and girls' perceptions for performing physical activity during playground recess from their own perspective. Ninety-eight schoolchildren aged 8-11 years from five schools from Cuenca (Spain) participated in 22 focus groups and carried out 98 drawings following the socioecological model as a theoretical framework. A content analysis of the transcripts from the focus groups and drawings was carried out by three researchers. Results showed that, in spite of boys and girls identified same barriers, there were gender differences in their perceptions...
2017: International Journal of Qualitative Studies on Health and Well-being
https://www.readbyqxmd.com/read/29039118/a-systematic-review-of-flap-fixation-techniques-in-reducing-seroma-formation-and-its-sequelae-after-mastectomy
#12
REVIEW
J van Bastelaar, L van Roozendaal, R Granzier, G Beets, Y Vissers
BACKGROUND: Seroma formation is a common complication after mastectomy. This review aims to elucidate which surgical techniques are most effective in reducing the dead space and therefore seroma formation in patients undergoing mastectomy. METHODS: A literature search was performed to identify clinical studies comparing any form of flap fixation to conventional closure technique in patients undergoing mastectomy with or without axillary clearance. Studies were eligible for inclusion if outcome was described in terms of seroma formation and/or complications of seroma formation...
October 16, 2017: Breast Cancer Research and Treatment
https://www.readbyqxmd.com/read/29037474/land-surface-phenology-what-do-we-really-see-from-space
#13
David Helman
Land surface phenology (LSP) provides bio-indication of ongoing climate change. It uses space-borne greenness proxies to monitor plant phenology at the landscape level from the regional to global scale. However, several unconsidered methodological and observational -related limitations may lead to misinterpretation of the satellite-derived signals. For instance, changes in species composition within a pixel could result in a change in the time series of the greenness proxy, due to the distinct phenology of the plant species involved...
October 13, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/29036855/diagnostic-criteria-for-persistent-postural-perceptual-dizziness-pppd-consensus-document-of-the-committee-for-the-classification-of-vestibular-disorders-of-the-b%C3%A3-r%C3%A3-ny-society
#14
Jeffrey P Staab, Annegret Eckhardt-Henn, Arata Horii, Rolf Jacob, Michael Strupp, Thomas Brandt, Adolfo Bronstein
This paper presents diagnostic criteria for persistent postural-perceptual dizziness (PPPD) to be included in the International Classification of Vestibular Disorders (ICVD). The term PPPD is new, but the disorder is not. Its diagnostic criteria were derived by expert consensus from an exhaustive review of 30 years of research on phobic postural vertigo, space-motion discomfort, visual vertigo, and chronic subjective dizziness. PPPD manifests with one or more symptoms of dizziness, unsteadiness, or non-spinning vertigo that are present on most days for three months or more and are exacerbated by upright posture, active or passive movement, and exposure to moving or complex visual stimuli...
October 7, 2017: Journal of Vestibular Research: Equilibrium & Orientation
https://www.readbyqxmd.com/read/29036726/contribution-of-different-particles-measured-with-track-etched-detectors-onboard-iss
#15
I Ambrožová, M Davídková, K Pachnerová Brabcová, R V Tolochek, V A Shurshakov
Cosmic radiation consists of primary high-energy galactic and solar particles. When passing through spacecraft walls and astronauts' bodies, the spectrum becomes even more complex due to generating of secondary particles through fragmentation and nuclear interactions. Total radiation exposure is contributed by both these components. With an advantage, space research uses track etched detectors from the group of passive detectors visualizing the tracks of particles, in this case by etching. The detectors can discriminate between various components of cosmic radiation...
September 29, 2017: Radiation Protection Dosimetry
https://www.readbyqxmd.com/read/29036712/comparison-of-cosmic-ray-environments-on-earth-moon-mars-and-in-spacecarft-using-phits
#16
Tatsuhiko Sato, Aiko Nagamatsu, Haruka Ueno, Ryuho Kataoka, Shoko Miyake, Kazuo Takeda, Koji Niita
Estimation of cosmic-ray doses is of great importance not only in aircrew and astronaut dosimetry but also in evaluation of background radiation exposure to public. We therefore calculated the cosmic-ray doses on Earth, Moon and Mars as well as inside spacecraft, using Particle and Heavy Ion Transport code System PHITS. The same cosmic-ray models and dose conversion coefficients were employed in the calculation to properly compare between the simulation results for different environments. It is quantitatively confirmed that the thickness of physical shielding including the atmosphere and soil of the planets is the most important parameter to determine the cosmic-ray doses and their dominant contributors...
September 29, 2017: Radiation Protection Dosimetry
https://www.readbyqxmd.com/read/29035673/extracellular-pyridine-nucleotides-as-immune-elicitors-in-arabidopsis
#17
Zhonglin Mou
The pyridine nucleotides nicotinamide adenine dinucleotide (NAD) and NAD phosphate (NADP) are coenzymes that function in both metabolic reactions and intracellular signaling. Emerging evidence from animal research indicates that NAD(P) also acts in the extracellular space (ECS). We have shown in the model plant Arabidopsis that (1) exogenous NAD(P) induces immune responses, (2) pathogen infection causes leakage of intracellular NAD(P) into the extracellular fluid at concentrations sufficient to induce immune responses, and (3) removal of extracellular NAD(P) [eNAD(P)] by expressing the human NAD(P)-metabolizing ectoenzyme CD38 partially compromises systemic acquired resistance...
October 16, 2017: Plant Signaling & Behavior
https://www.readbyqxmd.com/read/29035422/the-use-of-telemedicine-and-mobile-technology-to-promote-population-health-and-population-management-for-psychiatric-disorders
#18
REVIEW
Carolyn Turvey, John Fortney
PURPOSE OF REVIEW: This article discusses recent applications in telemedicine to promote the goals of population health and population management for people suffering psychiatric disorders. RECENT FINDINGS: The use of telemedicine to promote collaborative care, self-monitoring and chronic disease management, and population screening has demonstrated broad applicability and effectiveness. Collaborative care using videoconferencing to facilitate mental health specialty consults has demonstrated effectiveness in the treatment of depression, PTSD, and also ADHD in pediatric populations...
October 16, 2017: Current Psychiatry Reports
https://www.readbyqxmd.com/read/29035258/neodymium-in-the-oceans-a-global-database-a-regional-comparison-and-implications-for-palaeoceanographic-research
#19
Tina van de Flierdt, Alexander M Griffiths, Myriam Lambelet, Susan H Little, Torben Stichel, David J Wilson
The neodymium (Nd) isotopic composition of seawater has been used extensively to reconstruct ocean circulation on a variety of time scales. However, dissolved neodymium concentrations and isotopes do not always behave conservatively, and quantitative deconvolution of this non-conservative component can be used to detect trace metal inputs and isotopic exchange at ocean-sediment interfaces. In order to facilitate such comparisons for historical datasets, we here provide an extended global database for Nd isotopes and concentrations in the context of hydrography and nutrients...
November 28, 2016: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/29035228/universal-approximation-by-using-the-correntropy-objective-function
#20
Mojtaba Nayyeri, Hadi Sadoghi Yazdi, Alaleh Maskooki, Modjtaba Rouhani
Several objective functions have been proposed in the literature to adjust the input parameters of a node in constructive networks. Furthermore, many researchers have focused on the universal approximation capability of the network based on the existing objective functions. In this brief, we use a correntropy measure based on the sigmoid kernel in the objective function to adjust the input parameters of a newly added node in a cascade network. The proposed network is shown to be capable of approximating any continuous nonlinear mapping with probability one in a compact input sample space...
October 16, 2017: IEEE Transactions on Neural Networks and Learning Systems
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