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https://www.readbyqxmd.com/read/28817701/effect-of-exoskeletal-joint-constraint-and-passive-resistance-on-metabolic-energy-expenditure-implications-for-walking-in-paraplegia
#1
Sarah R Chang, Rudi Kobetic, Ronald J Triolo
An important consideration in the design of a practical system to restore walking in individuals with spinal cord injury is to minimize metabolic energy demand on the user. In this study, the effects of exoskeletal constraints on metabolic energy expenditure were evaluated in able-bodied volunteers to gain insight into the demands of walking with a hybrid neuroprosthesis after paralysis. The exoskeleton had a hydraulic mechanism to reciprocally couple hip flexion and extension, unlocked hydraulic stance controlled knee mechanisms, and ankles fixed at neutral by ankle-foot orthoses...
2017: PloS One
https://www.readbyqxmd.com/read/28817652/metabolomics-reveals-an-entanglement-of-fasting-leptin-concentrations-with-fatty-acid-oxidation-and-gluconeogenesis-in-healthy-children
#2
Franca Fabiana Kirchberg, Stephanie Brandt, Anja Moß, Wolfgang Peissner, Wolfgang Koenig, Dietrich Rothenbacher, Hermann Brenner, Berthold Koletzko, Christian Hellmuth, Martin Wabitsch
BACKGROUND: Leptin and adiponectin communicate with organ systems in order to regulate energetic and metabolic homeostasis. Their different points of action have been well characterized; however, no study has investigated their interrelationship with the metabolism at the molecular level in vivo. OBJECTIVE: To examine the associations of leptin and adiponectin with the metabolic profile reflecting the intercellular and interorgan communication as well as activated metabolic pathways...
2017: PloS One
https://www.readbyqxmd.com/read/28817599/anguillicola-crassus-infection-affects-mrna-expression-levels-in-gas-gland-tissue-of-european-yellow-and-silver-eel
#3
Gabriel Schneebauer, Ron P Dirks, Bernd Pelster
Using Illumina sequencing, we investigated transcriptional changes caused by the nematode Anguillicola crassus within yellow and silver eels by comparing swimbladder samples of uninfected yellow with infected yellow eels, and uninfected silver with infected silver eels, respectively. In yellow eel gas gland, the infection caused a modification of steady state mRNA levels of 1675 genes, most of them being upregulated. Functional annotation analysis based on GO terms was used to categorize identified genes with regard to swimbladder metabolism or response to the infection...
2017: PloS One
https://www.readbyqxmd.com/read/28817382/quantum-mechanical-force-fields-for-condensed-phase-molecular-simulations
#4
Timothy J Giese, Darrin M York
Molecular simulations are powerful tools for providing atomic-level details into complex chemical and physical processes that occur in the condensed phase. For strongly interacting systems where quantum many-body effects are known to play an important role, density-functional methods are often used to provide the model with the potential energy used to drive dynamics. These methods, however, suffer from two major drawbacks. First, they are often too computationally intensive to practically apply to large systems over long time scales, limiting their scope of application...
August 17, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28817289/how-to-drive-a-flashing-electron-ratchet-to-maximize-current
#5
Ofer Kedem, Bryan Lau, Emily A Weiss
Biological systems utilize a combination of asymmetry, noise, and chemical energy to produce motion in the highly damped environment of the cell with molecular motors, many of which are "ratchets", non-equilibrium devices for producing directed transport using non-directional perturbations, without a net bias. The underlying ratchet principle has been implemented in man-made micro- and nano-devices, to transport charged particles by oscillating an electric potential with repeating asymmetric features. In this experimental study, the ratcheting of electrons in an organic semiconductor is optimized by tuning the temporal modulation of the oscillating potential, applied using nanostructured electrodes...
August 17, 2017: Nano Letters
https://www.readbyqxmd.com/read/28817251/dual-core-shell-structured-s-c-mno2-nanocomposite-for-highly-stable-lithium-sulfur-batteries
#6
Lubin Ni, Gangjin Zhao, Guang Yang, Guosheng Niu, Ming Chen, Guowang Diao
Lithium-sulfur (Li-S) batteries have currently excited worldwide academic and industrial interest as a next-generation high-power energy storage system (EES) because of their high energy density and low cost of sulfur. However, the commercialization application is being hindered by capacity decay, mainly attributed to the polysulfide shuttle and poor conductivity of sulfur. Here, we have designed a novel dual core-shell nanostructure of S@C@MnO2 nanosphere hybrid as the sulfur host. The S@C@MnO2 nanosphere is successfully prepared using mesoporous hollow carbon spheres (MHCS) as the template and then in situ MnO2 growth on the surface of MHCS...
August 17, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28817145/coherent-electronic-and-nuclear-dynamics-in-a-rhodamine-heterodimer-dna-supramolecular-complex
#7
M Cipolloni, B Fresch, I Occhiuto, P Rukin, K G Komarova, A Cecconello, I Willner, R D Levine, F Remacle, E Collini
Elucidating the role of quantum coherences in energy migration within biological and artificial multichromophoric antenna systems is the subject of an intense debate. It is also a practical matter because of the decisive implications for understanding the biological processes and engineering artificial materials for solar energy harvesting. A supramolecular rhodamine heterodimer on a DNA scaffold was suitably engineered to mimic the basic donor-acceptor unit of light-harvesting antennas. Ultrafast 2D electronic spectroscopic measurements allowed identifying clear features attributable to a coherent superposition of dimer electronic and vibrational states contributing to the coherent electronic charge beating between the donor and the acceptor...
August 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28816920/similar-metabolic-innate-immunity-and-adipokine-profiles-in-adult-and-pediatric-sepsis-versus-systemic-inflammatory-response-syndrome-a-pilot-study
#8
Theonymfi Tavladaki, Anna Maria Spanaki, Helen Dimitriou, Efmorfia Kondili, Christianna Choulaki, Dimitris Georgopoulos, George Briassoulis
OBJECTIVES: To examine whether the septic profiles of heat shock protein 72, heat shock protein 90α, resistin, adiponectin, oxygen consumption, CO2 production, energy expenditure, and metabolic pattern, along with illness severity, nutritional, and inflammatory indices, differ between adult and pediatric patients compared with systemic inflammatory response syndrome and healthy controls. To evaluate whether these biomolecules may discriminate sepsis from systemic inflammatory response syndrome in adult and pediatric patients...
August 12, 2017: Pediatric Critical Care Medicine
https://www.readbyqxmd.com/read/28816659/low-frequency-and-broadband-vibration-energy-harvesting-using-base-mounted-piezoelectric-transducers
#9
Robert Koven, Matthew Mills, Richard Gale, Burak Aksak
Piezoelectric vibration energy harvesters often consist of a cantilevered beam composed of a support layer and one or two piezoelectric layers with a tip mass. While this configuration is advantageous for maximizing electromechanical coupling, the mechanical properties of the piezoelectric material can place limitations on harvester size and resonant frequency. Here, we present numerical and experimental results from a new type of piezoelectric energy harvester in which the mechanical properties and the resonant frequency of the cantilever beam resonator are effectively decoupled from the piezoelectric component...
August 14, 2017: IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control
https://www.readbyqxmd.com/read/28816457/a-coupled-cluster-investigation-of-sno-radical-isomers-and-their-reactions-with-hydrogen-atom-insight-into-structures-conformers-barriers-and-energetics
#10
Manoj Kumar, Joseph S Francisco
High-level coupled cluster theory with single and double excitation, and including a perturbative triples correction (CCSD(T)) method and a series of Dunning's augmented correlation consistent basis sets, aug-cc-pVXZ (X=D, T, Q and 5) was applied to examine the conformational landscape of SNO radical system. The basis set has an important effect on the relative stability of SNO radical isomers, and the NSO radical is the most stable member of SNO radical family. This is in contrast to previous density functional theory prediction suggesting SNO radical is the most stable isomer...
August 17, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28816324/the-generalized-maximum-hardness-principle-revisited-and-applied-to-atoms-and-molecules
#11
Wojciech Grochala
In this perspective contribution, we revisit the Maximum Hardness Principle (MHP), formulated by Pearson in 1987, and an equivalent Minimum Polarizability Principle (MPP) from Chattaraj and Parr, with particular emphasis on the cases where nuclear potential acting on electrons does not remain constant, and where substantial modifications of the nuclear geometry take place (Generalized MHP, GMHP). We first bring basic concepts related to electronic hardness, and then we present an overview of important manifestations of the GMHP for molecular systems such as (i) the tendency of two free radicals to couple, (ii) reduced reactivity of noble gases, (iii) symmetry-breaking distortions related to the Jahn-Teller effect, and/or these connected with (anti)aromatic character of certain organic molecules, (iv) enhanced reactivity of excited states, (v) high-low spin transitions, etc...
August 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28816305/real-time-atomic-scale-observation-of-void-formation-and-anisotropic-growth-in-ii-vi-semiconducting-ribbons
#12
Xing Huang, Travis Jones, Hua Fan, Marc-Georg Willinger
Void formation in semiconductors is generally considered to be deteriorating. However, for some systems, void formation and evolution are beneficial and can be used for the fabrication of novel nanostructures. In either scenario, the understanding of void formation and evolution is of both scientific and technical high importance. Herein, using ZnS ribbons as an example, we report real-time observations of void formation and the kinetics of growth at the nano- and atomic scales upon heating. Direct imaging reveals that voids, created by a focused electron beam in wurtzite (WZ) ribbons, have a rectangular shape elongated along the <0001> direction...
August 17, 2017: Nanoscale
https://www.readbyqxmd.com/read/28816178/plasmon-modes-of-bilayer-molybdenum-disulfide-a-density-functional-study
#13
Zahra Torbatian, Reza Asgari
We explore the collective electronic excitations of bilayer molybdenum disulfide (MoS2 ) using the density functional theory together with the random phase approximation. The many-body dielectric function and electron energy-loss spectra are calculated using an ab initio based model involving material-realistic physical properties. The electron energy-loss function of bilayer MoS2 system is found to be sensitive to either electron or hole doping and it is owing to the fact that the Kohn-Sham band dispersions are not symmetric for energies above and below the zero Fermi level...
August 17, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28816148/prompt-gamma-imaging-for-in%C3%A2-vivo-range-verification-of-pencil-beam-scanning-proton-therapy
#14
Yunhe Xie, El Hassane Bentefour, Guillaume Janssens, Julien Smeets, François Vander Stappen, Lucian Hotoiu, Lingshu Yin, Derek Dolney, Stephen Avery, Fionnbarr O'Grady, Damien Prieels, James McDonough, Timothy D Solberg, Robert A Lustig, Alexander Lin, Boon-Keng K Teo
PURPOSE: To report the first clinical results and value assessment of prompt gamma imaging for in vivo proton range verification in pencil beam scanning mode. METHODS AND MATERIALS: A stand-alone, trolley-mounted, prototype prompt gamma camera utilizing a knife-edge slit collimator design was used to record the prompt gamma signal emitted along the proton tracks during delivery of proton therapy for a brain cancer patient. The recorded prompt gamma depth detection profiles of individual pencil beam spots were compared with the expected profiles simulated from the treatment plan...
September 1, 2017: International Journal of Radiation Oncology, Biology, Physics
https://www.readbyqxmd.com/read/28815946/model-catalytic-studies-of-novel-liquid-organic-hydrogen-carriers-indole-indoline-and-octahydroindole-on-pt-111
#15
Matthias Schwarz, Philipp Bachmann, Thais Nascimento Silva, Susanne Mohr, Marlene Scheuermeyer, Florian Späth, Udo Bauer, Fabian Düll, Johann Steinhauer, Chantal Hohner, Tibor Döpper, Heshmat Noei, Andreas Stierle, Christian Papp, Hans-Peter Steinrück, Peter Wasserscheid, Andreas Görling, Jörg Libuda
Indole derivatives were recently proposed as potential Liquid Organic Hydrogen Carriers (LOHC) for storage of renewable energies. In this work, we have investigated the adsorption, dehydrogenation and degradation mechanisms in the indole/indoline/octahydroindole system on Pt(111). We have combined infrared reflection absorption spectroscopy (IRAS), X-ray photoelectron spectroscopy (XPS) and density functional (DF) calculations. Indole multilayers show a crystallization transition at 200 K, in which the molecules adopt a strongly tilted orientation, before the multilayer desorbs at 220 K...
August 16, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28815869/permissible-emission-limit-estimation-via-iterative-back-calculation-case-of-assaluyeh-energy-zone-southern-iran
#16
Hossein Khajehpour, Yadollah Saboohi, George Tsatsaronis
In this research work, an environmental policy procedure for setting a cap on emissions, as a crucial step in any total emission control system, has been provided and evaluated. It is shown that general regulations on emission intensities and rates do not guarantee that ambient air quality standards are met in intense industrial zones. Local emission limits are necessary to meet ambient air quality standards in these zones. To that end, we used dispersion simulators to back-calculate pollutant concentration thresholds for a large and intense energy system in the Assaluyeh region of southern Iran...
August 16, 2017: Integrated Environmental Assessment and Management
https://www.readbyqxmd.com/read/28815807/molybdenum-oxides-from-fundamentals-to-functionality
#17
REVIEW
Isabela Alves de Castro, Robi Shankar Datta, Jian Zhen Ou, Andres Castellanos-Gomez, Sharath Sriram, Torben Daeneke, Kourosh Kalantar-Zadeh
The properties and applications of molybdenum oxides are reviewed in depth. Molybdenum is found in various oxide stoichiometries, which have been employed for different high-value research and commercial applications. The great chemical and physical characteristics of molybdenum oxides make them versatile and highly tunable for incorporation in optical, electronic, catalytic, bio, and energy systems. Variations in the oxidation states allow manipulation of the crystal structure, morphology, oxygen vacancies, and dopants, to control and engineer electronic states...
August 16, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28815614/resveratrol-for-alzheimer-s-disease
#18
REVIEW
Christine Sawda, Charbel Moussa, R Scott Turner
The amyloid hypothesis suggests that the progressive accumulation and deposition of central nervous system (CNS) amyloid with aging is the proximate cause of Alzheimer's disease (AD). Thus, targeting molecular mechanisms of aging may be a viable treatment approach. Caloric restriction prevents diseases of aging, including AD, in animal models, perhaps by activation of sirtuins. The sirtuins (e.g., mammalian SIRT1) are deacetylases that link energy balance (NAD(+) /NADH) to regulation of gene transcription. Resveratrol is a potent activator of SIRT1, and thus may mimic caloric restriction to prevent diseases of aging...
August 16, 2017: Annals of the New York Academy of Sciences
https://www.readbyqxmd.com/read/28815531/mitochondria-endoplasmic-reticulum-contact-sites-mediate-innate-immune-responses
#19
Takuma Misawa, Michihiro Takahama, Tatsuya Saitoh
Mitochondria and the endoplasmic reticulum (ER) are fundamental organelles that coordinate high-order cell functions. Mitochondria are centers of energy production, whereas the ER is responsible for folding, transport, and degradation of proteins. In addition to their specific functions, mitochondria and ER actively communicate with each other to promote a variety of cellular events, such as material transfer and signal transduction. Recent studies have shown the critical involvement of these organelles in regulation of the innate immune system, which functions in host defense...
2017: Advances in Experimental Medicine and Biology
https://www.readbyqxmd.com/read/28815240/-research-on-physical-and-mechanical-properties-crown-accuracy-by-using-self-made-fus-invest-dental-investment
#20
Jin-Shuang Wu, He-Lin Xing, Chao-Fang Dong, Tian-Wen Guo, Se-Fei Yang
PURPOSE: To evaluate the physical and mechanical properties of pure titanium castings cast by self- made FUS-invest dental investment, and evaluate casting accuracy. METHODS: Seven pure titanium castings were cast by self-made FUS-invest zirconium investment and analyzed using servo hydraulic dynamic experiment system (JJG139-83 standard), scanning electron microscope and energy spectrum analysis. Thirty-eight crowns of pure titanium were cast by two different methods...
April 2017: Shanghai Kou Qiang Yi Xue, Shanghai Journal of Stomatology
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