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Functional Hops

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https://www.readbyqxmd.com/read/28527449/correlated-matrix-fluctuation-mediated-activated-transport-of-dilute-penetrants-in-glass-forming-liquids-and-suspensions
#1
Rui Zhang, Kenneth S Schweizer
We formulate a microscopic, force-level statistical mechanical theory for the activated diffusion of dilute penetrants in dense liquids, colloidal suspensions, and glasses. The approach explicitly and self-consistently accounts for coupling between penetrant hopping and matrix dynamic displacements that actively facilitate the hopping event. The key new ideas involve two mechanistically (at a stochastic trajectory level) coupled dynamic free energy functions for the matrix and spherical penetrant particles...
May 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28515975/prospective-functional-performance-testing-and-relationship-to-lower-extremity-injury-incidence-in-adolescent-sports-participants
#2
Joseph Smith, Nick DePhillipo, Iris Kimura, Morgan Kocher, Ronald Hetzler
BACKGROUND: Due to the high number of adolescent athletes and subsequent lower extremity injuries, improvements of injury prevention strategies with emphasis on clinic-based and practical assessments are warranted. PURPOSE: The purpose of this study was to prospectively investigate if a battery of functional performance tests (FPT) could be used as a preseason-screening tool to identify adolescent athletes at risk for sports-related acute lower extremity injury via comparison of injured and uninjured subjects...
April 2017: International Journal of Sports Physical Therapy
https://www.readbyqxmd.com/read/28515973/intra-rater-reliability-of-the-multiple-single-leg-hop-stabilization-test-and-relationships-with-age-leg-dominance-and-training
#3
Leanne Sawle, Jennifer Freeman, Jonathan Marsden
BACKGROUND: Balance is a complex construct, affected by multiple components such as strength and co-ordination. However, whilst assessing an athlete's dynamic balance is an important part of clinical examination, there is no gold standard measure. The multiple single-leg hop-stabilization test is a functional test which may offer a method of evaluating the dynamic attributes of balance, but it needs to show adequate intra-tester reliability. PURPOSE: The purpose of this study was to assess the intra-rater reliability of a dynamic balance test, the multiple single-leg hop-stabilization test on the dominant and non-dominant legs...
April 2017: International Journal of Sports Physical Therapy
https://www.readbyqxmd.com/read/28507672/mechanism-of-photocatalytic-water-oxidation-on-small-tio2-nanoparticles
#4
Mikko Muuronen, Shane M Parker, Enrico Berardo, Alexander Le, Martijn A Zwijnenburg, Filipp Furche
We present the first unconstrained nonadiabatic molecular dynamics (NAMD) simulations of photocatalytic water oxidation by small hydrated TiO2 nanoparticles using Tully surface hopping and time-dependent density functional theory. The results indicate that ultrafast electron-proton transfer from physisorbed water to the photohole initiates the photo-oxidation on the S1 potential energy surface. The new mechanism readily explains the observation of mobile hydroxyl radicals in recent experiments. Two key driving forces for the photo-oxidation reaction are identified: localization of the electron-hole pair and stabilization of the photohole by hydrogen bonding interaction...
March 1, 2017: Chemical Science
https://www.readbyqxmd.com/read/28496411/calf-compression-sleeves-change-biomechanics-but-not-performance-and-physiological-responses-in-trail-running
#5
Hugo A Kerhervé, Pierre Samozino, Fabrice Descombe, Matthieu Pinay, Guillaume Y Millet, Marion Pasqualini, Thomas Rupp
Introduction: The aim of this study was to determine whether calf compression sleeves (CS) affects physiological and biomechanical parameters, exercise performance, and perceived sensations of muscle fatigue, pain and soreness during prolonged (~2 h 30 min) outdoor trail running. Methods: Fourteen healthy trained males took part in a randomized, cross-over study consisting in two identical 24-km trail running sessions (each including one bout of running at constant rate on moderately flat terrain, and one period of all-out running on hilly terrain) wearing either degressive CS (23 ± 2 mmHg) or control sleeves (CON, <4 mmHg)...
2017: Frontiers in Physiology
https://www.readbyqxmd.com/read/28494336/metabolite-profiling-of-flavonols-and-in-vitro-antioxidant-activity-of-young-shoots-of-wild-humulus-lupulus-l-hop
#6
Annalisa Maietti, Virginia Brighenti, Gianpiero Bonetti, Paola Tedeschi, Francesco Pio Prencipe, Stefania Benvenuti, Vincenzo Brandolini, Federica Pellati
Humulus lupulus L., commonly named hop, is well-known for its sedative and estrogenic activity. While hop cones are widely characterized, only few works have been carried out on the young shoots of this plant. In the light of this, the aim of this study was to identify for the first time the flavonoids present in young hop shoots and to compare the composition of samples harvested from different locations in Northern Italy with their antioxidant activity. The samples were extracted by means of dynamic maceration with methanol...
April 29, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/28492364/na-influx-via-orai1-inhibits-intracellular-atp-induced-mtorc2-signaling-to-disrupt-cd4-t-cell-gene-expression-and-differentiation
#7
Yong Miao, Jaya Bhushan, Adish Dani, Monika Vig
T cell effector functions require sustained calcium influx. However, the signaling and phenotypic consequences of non-specific sodium permeation via calcium channels remain unknown. α-SNAP is a crucial component of Orai1 channels, and its depletion disrupts the functional assembly of Orai1 multimers. Here we show that α-SNAP hypomorph, hydrocephalos with hopping gait, Napa(hyh/hyh) mice harbor significant defects in CD4 T cell gene expression and Foxp3 regulatory T cell (Treg) differentiation. Mechanistically, TCR stimulation induced rapid sodium influx in Napa(hyh/hyh) CD4 T cells, which reduced intracellular ATP, [ATP]i...
May 11, 2017: ELife
https://www.readbyqxmd.com/read/28483915/rab2-promotes-autophagic-and-endocytic-lysosomal-degradation
#8
Péter Lőrincz, Sarolta Tóth, Péter Benkő, Zsolt Lakatos, Attila Boda, Gábor Glatz, Martina Zobel, Sara Bisi, Krisztina Hegedűs, Szabolcs Takáts, Giorgio Scita, Gábor Juhász
Rab7 promotes fusion of autophagosomes and late endosomes with lysosomes in yeast and metazoan cells, acting together with its effector, the tethering complex HOPS. Here we show that another small GTPase, Rab2, is also required for autophagosome and endosome maturation and proper lysosome function in Drosophila melanogaster We demonstrate that Rab2 binds to HOPS, and that its active, GTP-locked form associates with autolysosomes. Importantly, expression of active Rab2 promotes autolysosomal fusions unlike that of GTP-locked Rab7, suggesting that its amount is normally rate limiting...
May 8, 2017: Journal of Cell Biology
https://www.readbyqxmd.com/read/28481079/high-speed-scanning-ion-conductance-microscopy-for-quantitative-analysis-of-nanoscale-dynamics-of-microvilli
#9
Hiroki Ida, Yasufumi Takahashi, Akichika Kumatani, Hitoshi Shiku, Tomokazu Matsue
Observation of nanoscale structure dynamics on cell surfaces is essential to understanding cell functions. The hopping-mode scanning ion-conductance microscopy (SICM) has been used to visualize the topography of fragile convoluted nanoscale structures on cell surfaces under non-invasive conditions. However, conventional hopping mode SICM does not have sufficient temporal resolution to observe cell-surface dynamics in situ because of the additional time required for performing vertical probe movements of the nanopipette...
May 8, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28474952/large-deviations-of-a-tracer-in-the-symmetric-exclusion-process
#10
Takashi Imamura, Kirone Mallick, Tomohiro Sasamoto
The one-dimensional symmetric exclusion process, the simplest interacting particle process, is a lattice gas made of particles that hop symmetrically on a discrete line respecting hard-core exclusion. The system is prepared on the infinite lattice with a step initial profile with average densities ρ_{+} and ρ_{-} on the right and on the left of the origin. When ρ_{+}=ρ_{-}, the gas is at equilibrium and undergoes stationary fluctuations. When these densities are unequal, the gas is out of equilibrium and will remain so forever...
April 21, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28474170/muscle-function-in-osteogenesis-imperfecta-type-iv
#11
Louis-Nicolas Veilleux, Vasiliki B Darsaklis, Kathleen Montpetit, Francis H Glorieux, Frank Rauch
Results of previous studies suggest that children and adolescents with osteogenesis imperfecta (OI) type IV have muscle force deficits. However, muscle function remains to be objectively quantified in this population. This study aimed to assess upper and lower extremity muscle function in patients with OI type IV. It was carried out in the outpatient department of a pediatric orthopedic hospital; 27 individuals with OI type IV (7-21 years; 13 males), 27 age- and sex-matched individuals with OI type I, and 27 age- and sex-matched controls...
May 4, 2017: Calcified Tissue International
https://www.readbyqxmd.com/read/28468814/metabolic-cost-of-human-hopping
#12
Anne K Gutmann, John E A Bertram
To interpret the movement strategies employed in locomotion, it is necessary to understand the source of metabolic cost. Muscles must consume metabolic energy to do work, but also must consume energy to generate force. The energy lost during steady locomotion and, hence, the amount of mechanical work muscles need to perform to replace it can be reduced and, in theory, even eliminated by elastically storing and returning some portion of this energy via the tendons. However, even if muscles do not need to perform any mechanical work, they still must generate sufficient force to tension tendons and support body weight...
May 1, 2017: Journal of Experimental Biology
https://www.readbyqxmd.com/read/28459885/a-statistically-compiled-test-battery-for-feasible-evaluation-of-knee-function-after-rupture-of-the-anterior-cruciate-ligament-derived-from-long-term-follow-up-data
#13
Lina Schelin, Eva Tengman, Patrik Ryden, Charlotte Häger
PURPOSE: Clinical test batteries for evaluation of knee function after injury to the Anterior Cruciate Ligament (ACL) should be valid and feasible, while reliably capturing the outcome of rehabilitation. There is currently a lack of consensus as to which of the many available assessment tools for knee function that should be included. The present aim was to use a statistical approach to investigate the contribution of frequently used tests to avoid redundancy, and filter them down to a proposed comprehensive and yet feasible test battery for long-term evaluation after ACL injury...
2017: PloS One
https://www.readbyqxmd.com/read/28451256/lc-ms-ms-suggests-that-hole-hopping-in-cytochrome-c-peroxidase-protects-its-heme-from-oxidative-modification-by-excess-h2o2
#14
Meena Kathiresan, Ann M English
We recently reported that cytochrome c peroxidase (Ccp1) functions as a H2O2 sensor protein when H2O2 levels rise in respiring yeast. The availability of its reducing substrate, ferrocytochrome c (Cyc(II)), determines whether Ccp1 acts as a H2O2 sensor or peroxidase. For H2O2 to serve as a signal it must modify its receptor so we employed high-performance LC-MS/MS to investigate in detail the oxidation of Ccp1 by 1, 5 and 10 M eq. of H2O2 in the absence of Cyc(II) to prevent peroxidase activity. We observe strictly heme-mediated oxidation, implicating sequential cycles of binding and reduction of H2O2 at Ccp1's heme...
February 1, 2017: Chemical Science
https://www.readbyqxmd.com/read/28442780/the-effect-of-body-composition-and-serum-inflammatory-markers-on-the-functional-muscle-bone-unit-in-premenopausal-women
#15
S M Mueller, I Herter-Aeberli, A C Cepeda-Lopez, M Flück, H H Jung, M Toigo
BACKGROUND/OBJECTIVES: A number of recent studies dealing with the relationship between the effects of high body mass (BM) and fat mass (FM) on bone mass and strength exhibit a range of contrasting variations in their findings. These diverse findings have led to an ongoing controversy as to whether high BM and FM positively or negatively affect bone mass and strength. Excessive fat mass and the associated low-grade inflammation might overturn the higher mechanical stimulus arising from a higher body mass...
April 26, 2017: International Journal of Obesity: Journal of the International Association for the Study of Obesity
https://www.readbyqxmd.com/read/28433416/static-postural-control-in-youth-with-osteogenesis-imperfecta-type-i
#16
Annie Pouliot-Laforte, Martin Lemay, Frank Rauch, Louis-Nicolas Veilleux
OBJECTIVE: To assess static postural control in eyes-open and eyes-closed conditions in individuals with osteogenesis imperfecta (OI) type I as compared to typically developing (TD) individuals. The second aim was to explore the relation between postural control and lower-limbs muscle function. DESIGN: This is a cross-sectional study. SETTINGS: The study was carried out in the outpatient department of a pediatric orthopedic hospital. PARTICIPANTS: 22 individuals with OI type I (mean age [range]: 13...
April 19, 2017: Archives of Physical Medicine and Rehabilitation
https://www.readbyqxmd.com/read/28430270/atomistic-non-adiabatic-dynamics-of-the-lh2-complex-with-a-gpu-accelerated-ab-initio-exciton-model
#17
Aaron Sisto, Clem Stross, Marc W van der Kamp, Michael O'Connor, Simon McIntosh-Smith, Graham T Johnson, Edward G Hohenstein, Fred R Manby, David R Glowacki, Todd J Martinez
We recently outlined an efficient multi-tiered parallel ab initio excitonic framework that utilizes time dependent density functional theory (TDDFT) to calculate ground and excited state energies and gradients of large supramolecular complexes in atomistic detail - enabling us to undertake non-adiabatic simulations which explicitly account for the coupled anharmonic vibrational motion of all the constituent atoms in a supramolecular system. Here we apply that framework to the 27 coupled bacterio-chlorophyll-a chromophores which make up the LH2 complex, using it to compute an on-the-fly nonadiabatic surface-hopping (SH) trajectory of electronically excited LH2...
April 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28429418/the-dynamics-of-the-reaction-of-feo-and-h2-a-model-for-inorganic-oxidation
#18
Stéphanie Essafi, David P Tew, Jeremy N Harvey
Extensive density functional theory (DFT) calculations using the B3LYP functional were used to explore the sextet and quartet energy potential energy surfaces (PESs) of the title reaction, and as a basis to fit global analytical reactive PESs. Surface-hopping dynamics on these PESs reproduce the experimentally observed reactivity and confirm that hydrogen activation rather than spin-state change is rate-limiting at low reaction energy, where the main products are Fe(+) and H2 O. A change in spin state is inefficient in the product region so that excited-state (4) Fe(+) is the dominant product...
April 21, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28426278/hop3-a-new-regulator-of-the-er-stress-response-in-arabidopsis-with-possible-implications-in-plant-development-and-response-to-biotic-and-abiotic-stresses
#19
Nuria Fernández-Bautista, Lourdes Fernández-Calvino, Alfonso Muñoz, M Mar Castellano
HOPs (heat shock protein 70 (HSP70)-heat shock protein 90 (HSP90) organizing proteins) are a highly conserved family of cytosolic cochaperones. In a recent study we showed that HOP3, one member of the HOP family in Arabidopsis, plays an essential role during endoplasmic reticulum (ER) stress in plants. Interestingly, we also demonstrated that AtHOP3 interacts with binding immunoglobulin protein (BiP), a major ER-resident chaperone. All these data suggest that HOP3 could assist BiP in protein folding in the ER...
April 20, 2017: Plant Signaling & Behavior
https://www.readbyqxmd.com/read/28426221/charge-transport-in-nanostructured-materials-implementation-and-verification-of-constrained-density-functional-theory
#20
Matthew B Goldey, Nicholas P Brawand, Márton Vörös, Giulia Galli
The in silico design of novel complex materials for energy conversion requires accurate, ab initio simulation of charge transport. In this work, we present an implementation of constrained density functional theory (CDFT) for the calculation of parameters for charge transport in the hopping regime. We verify our implementation against literature results for molecular systems, and we discuss the dependence of results on numerical parameters and the choice of localization potentials. In addition, we compare CDFT results with those of other commonly used methods for simulating charge transport between nanoscale building blocks...
April 28, 2017: Journal of Chemical Theory and Computation
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