keyword
MENU ▼
Read by QxMD icon Read
search

Hop kinetic

keyword
https://www.readbyqxmd.com/read/28507123/large-moment-antiferromagnetic-order-in-overdoped-high-tc-superconductor-154-smfeaso1-x-d-x
#1
Soshi Iimura, Hiroshi Okanishi, Satoru Matsuishi, Haruhiro Hiraka, Takashi Honda, Kazutaka Ikeda, Thomas C Hansen, Toshiya Otomo, Hideo Hosono
In iron-based superconductors, high critical temperature (Tc) superconductivity over 50 K has only been accomplished in electron-doped hREFeAsO (hRE is heavy rare earth (RE) element). Although hREFeAsO has the highest bulk Tc (58 K), progress in understanding its physical properties has been relatively slow due to difficulties in achieving high-concentration electron doping and carrying out neutron experiments. Here, we present a systematic neutron powder diffraction study of (154)SmFeAsO1-x D x , and the discovery of a long-range antiferromagnetic ordering with x ≥ 0...
May 15, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28496411/calf-compression-sleeves-change-biomechanics-but-not-performance-and-physiological-responses-in-trail-running
#2
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/28482151/trisubstituted-imidazoles-with-a-rigidized-hinge-binding-motif-act-as-single-digit-nm-inhibitors-of-clinically-relevant-egfr-l858r-t790m-and-l858r-t790m-c797s-mutants-an-example-of-target-hopping
#3
Michael Juchum, Marcel Günther, Eva Döring, Adrian Sievers-Engler, Michael Lämmerhofer, Stefan Laufer
The high genomic instability of non-small cell lung cancer tumors leads to the rapid development of resistance against promising EGFR tyrosine kinase inhibitors (TKIs). A recently detected triple mutation compromises the activity of the gold standard third-generation EGFR inhibitors. We have prepared a set of trisubstituted imidazoles with a rigidized 7-azaindole hinge binding motif as a new structural class of EGFR inhibitors by a target hopping approach from p38α MAPK inhibitor templates. On the basis of an iterative approach of docking, compound preparation, biological testing, and SAR interpretation, robust and flexible synthetic routes were established...
May 23, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28480913/electrochemical-ammonia-compression
#4
Ye Tao, William Gibbons, Yunho Hwang, Reinhard Radermacher, Chunsheng Wang
Every year a large amount of ammonia is mechanically compressed with a low efficiency (∼65%) as an environmentally friendly chemical for fuel storage, transportation, food preservation and air conditioning. Electrochemical compression with a high efficiency (93%) offers an opportunity for substantial energy savings. But ammonia is never considered electrochemically compressible because of the known decomposition at high applied potentials. The concept of using a carrier gas to co-compress ammonia was proposed but never experimentally validated...
May 8, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28471164/correlation-between-charge-recombination-and-lateral-hole-hopping-kinetics-in-a-series-of-cis-ru-phen-dcb-ncs-2-dye-sensitized-solar-cells
#5
Renato N Sampaio, Andressa V Müller, André S Polo, Gerald J Meyer
Four complexes of the general form cis-Ru(phen')(dcb)(NCS)2, where dcb is 4,4'-(CO2H)2-2,2'-bipyridine and phen' is 1,10-phenanthroline (phen), 4,7-(C6H5)2-phen (Ph2-phen), 4,7-(CH3)2-phen (Me2-phen), or 3,4,7,8-(CH3)4-phen (Me4-phen), were anchored to mesoporous TiO2 thin films for applications as sensitizers in dye-sensitized solar cells (DSSCs). The compounds displayed metal based reductions E(o)(Ru(III/II)) = 1.01 ± 0.05 V vs NHE and were potent reductants competent of excited-state electron transfer to TiO2 with yields ϕinj ≥ 0...
May 4, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28436660/efficient-charge-separation-of-cold-charge-transfer-states-in-organic-solar-cells-through-incoherent-hopping
#6
Stavros Athanasopoulos, Steffen Tscheuschner, Heinz Bässler, Anna Köhler
We demonstrate that efficient and nearly field-independent charge separation of electron-hole pairs in organic planar heterojunction solar cells can be described by an incoherent hopping mechanism. Using kinetic Monte Carlo simulations that include the effect of on-chain delocalization as well as entropic contributions, we simulate the dissociation of the charge-transfer state in polymer-fullerene bilayer solar cells. The model further explains experimental results of almost field independent charge separation in bilayers of molecular systems with fullerenes and provides important guidelines at the molecular level for maximizing the efficiencies of organic solar cells...
May 4, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28365997/kinetics-controlled-amphiphile-self-assembly-processes
#7
Xiaoyan Zheng, Lizhe Zhu, Xiangze Zeng, Luming Meng, Lu Zhang, Dong Wang, Xuhui Huang
Amphiphile self-assembly is an essential bottom-up approach of fabricating advanced functional materials. Self-assembled materials with desired structures are often obtained through thermodynamic control. Here, we demonstrate that the selection of kinetic pathways can lead to drastically different self-assembled structures, underlining the significance of kinetic control in self-assembly. By constructing kinetic network models from large-scale molecular dynamics simulations, we show that two largely similar amphiphiles, 1-[11-oxo-11-(pyren-1-ylmethoxy)-undecyl]pyridinium bromide (PYR) and 1-(11-((5a1,8a-dihydropyren-1-yl)methylamino)-11-oxoundecyl)pyridinium bromide (PYN), prefer distinct kinetic assembly pathways...
April 20, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28361285/evaluation-of-lower-limb-kinetics-during-gait-sprint-and-hop-tests-before-and-after-anterior-cruciate-ligament-reconstruction
#8
Joaquín Moya-Angeler, Javier Vaquero, Francisco Forriol
BACKGROUND: The purpose of this study was to evaluate the functional status prior to and at different times after anterior cruciate ligament reconstruction (ACLR), and to analyze the changes in the kinetic patterns of the involved and uninvolved lower limb during gait, sprint and three hop tests. MATERIALS AND METHODS: Seventy-four male patients with an ACL injury were included in the study. All patients performed a standardized kinetic protocol including gait, sprint and three hop tests (single-leg hop, drop vertical jump and vertical jump tests), preoperatively and at 3, 6, and 12 months after ACLR with a semitendinosus gracilis tendon autograft...
June 2017: Journal of Orthopaedics and Traumatology: Official Journal of the Italian Society of Orthopaedics and Traumatology
https://www.readbyqxmd.com/read/28298066/effect-of-fatigue-protocols-on-lower-limb-neuromuscular-function-and-implications-for-anterior-cruciate-ligament-injury-prevention-training
#9
Sue D Barber-Westin, Frank R Noyes
BACKGROUND: Approximately two-thirds of anterior cruciate ligament (ACL) tears are sustained during noncontact situations when an athlete is cutting, pivoting, decelerating, or landing from a jump. Some investigators have postulated that fatigue may result in deleterious alterations in lower limb biomechanics during these activities that could increase the risk of noncontact ACL injuries. However, prior studies have noted a wide variation in fatigue protocols, athletic tasks studied, and effects of fatigue on lower limb kinetics and kinematics...
March 1, 2017: American Journal of Sports Medicine
https://www.readbyqxmd.com/read/28240726/gross-motor-skills-in-children-with-idiopathic-clubfoot-and-the-association-between-gross-motor-skills-foot-involvement-gait-and-foot-motion
#10
Elin Lööf, Hanneke Andriesse, Marie André, Stephanie Böhm, Maura D Iversen, Eva W Broström
BACKGROUND: Little is known regarding gross motor skills (GMS) in children with idiopathic clubfoot (IC). This study describes GMS, specifically foot involvement and asymmetries, and analyses the association between GMS, gait, and foot status in children with IC. METHODS: Gross motor tasks and gait were analyzed in children with IC and typically developed (TD) children. GMS were assessed using videotapes and the Clubfoot Assessment Protocol (CAP). The Gait Deviation Index (GDI) and GDI-Kinetic were calculated from gait analyses...
February 24, 2017: Journal of Pediatric Orthopedics
https://www.readbyqxmd.com/read/28208473/non-hermitian-surface-hopping
#11
Xing Gao, Walter Thiel
We present a generalized non-Hermitian equation of motion (nH-EOM) to go beyond standard trajectory surface hopping dynamics. The derivation is based on the Born-Huang expansion of the total wave function and the polar representation of the nuclear factor. The nH-EOM contains two additional terms, a skew symmetry term iΓ with dissipation operator Γ to account for decoherence, and a kinetic-energy renormalization term to account for phase shifts, without destroying the invariance to the choice of representation...
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28208456/nonequilibrium-steady-states-in-a-closed-inhomogeneous-asymmetric-exclusion-process-with-generic-particle-nonconservation
#12
Bijoy Daga, Souvik Mondal, Anjan Kumar Chandra, Tirthankar Banerjee, Abhik Basu
We study the totally asymmetric exclusion process (TASEP) on a nonuniform one-dimensional ring consisting of two segments having unequal hopping rates, or defects. We allow weak particle nonconservation via Langmuir kinetics (LK), which are parametrized by generic unequal attachment and detachment rates. For an extended defect, in the thermodynamic limit the system generically displays inhomogeneous density profiles in the steady state-the faster segment is either in a phase with spatially varying density having no density discontinuity, or a phase with a discontinuous density changes...
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28193017/single-particle-tracking-of-peptides-modified-nanocargo-on-lipid-membrane-revealing-bulk-mediated-diffusion
#13
Lin Wei, Zhongju Ye, Yueling Xu, Bo Chen, Edward S Yeung, Lehui Xiao
Understanding the detailed diffusion behavior of the nanocargo on lipid membrane can afford deep insight into the surface chemistry controlled translocation mechanism for the rational design of an efficient delivery system. By tracking the diffusion trajectory of transacting activator of transcription (TAT, a cell penetrating peptide) peptides-modified nanocargo on lipid membrane, bulk-mediated (intermittent hopping) diffusion was observed for the first time after a blended modification of TAT peptides and polyethylene glycol (PEG) molecules onto the nanoparticle surface...
December 20, 2016: Analytical Chemistry
https://www.readbyqxmd.com/read/28186834/elevated-knee-joint-kinetics-and-reduced-ankle-kinetics-are-present-during-jogging-and-hopping-after-achilles-tendon-ruptures
#14
Richard W Willy, Annelie Brorsson, Hayley C Powell, John D Willson, Roy Tranberg, Karin Grävare Silbernagel
BACKGROUND: Deficits in plantarflexor function are common after an Achilles tendon rupture. These deficits may result in an altered distribution of joint loads during lower extremity tasks. HYPOTHESIS: We hypothesized that, regardless of treatment, the Achilles tendon-ruptured limb would exhibit deficits in ankle kinematics and joint power while exhibiting elevated knee joint power and patellofemoral joint loads during walking, jogging, and hopping. We further hypothesized that this loading pattern would be most evident during jogging and hopping...
April 2017: American Journal of Sports Medicine
https://www.readbyqxmd.com/read/28106154/anisotropic-hydrogen-diffusion-in-%C3%AE-zr-and-zircaloy-predicted-by-accelerated-kinetic-monte-carlo-simulations
#15
Yongfeng Zhang, Chao Jiang, Xianming Bai
This report presents an accelerated kinetic Monte Carlo (KMC) method to compute the diffusivity of hydrogen in hcp metals and alloys, considering both thermally activated hopping and quantum tunneling. The acceleration is achieved by replacing regular KMC jumps in trapping energy basins formed by neighboring tetrahedral interstitial sites, with analytical solutions for basin exiting time and probability. Parameterized by density functional theory (DFT) calculations, the accelerated KMC method is shown to be capable of efficiently calculating hydrogen diffusivity in α-Zr and Zircaloy, without altering the kinetics of long-range diffusion...
January 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28100050/charge-carrier-hopping-dynamics-in-homogeneously-broadened-pbs-quantum-dot-solids
#16
Rachel H Gilmore, Elizabeth M Y Lee, Mark C Weidman, Adam P Willard, William A Tisdale
Energetic disorder in quantum dot solids adversely impacts charge carrier transport in quantum dot solar cells and electronic devices. Here, we use ultrafast transient absorption spectroscopy to show that homogeneously broadened PbS quantum dot arrays (σhom(2):σinh(2) > 19:1, σinh/kBT < 0.4) can be realized if quantum dot batches are sufficiently monodisperse (δ ≲ 3.3%). The homogeneous line width is found to be an inverse function of quantum dot size, monotonically increasing from ∼25 meV for the largest quantum dots (5...
January 30, 2017: Nano Letters
https://www.readbyqxmd.com/read/28092633/unconventional-superconductivity-in-generalized-hubbard-model-role-of-electron-hole-symmetry-breaking-terms
#17
Marcin M Wysokiński, Jan Kaczmarczyk
We investigate the effect of the electron-hole (e-h) symmetry breaking on d-wave superconductivity induced by non-local effects of correlations in the generalized Hubbard model. The symmetry breaking is introduced in a two-fold manner: by the next-to-nearest neighbor hopping of electrons and by the charge-bond interaction-the off-diagonal term of the Coulomb potential. Both terms lead to a pronounced asymmetry of the superconducting order parameter. The next-to-nearest neighbor hopping enhances superconductivity for h-doping, while diminishes it for e-doping...
March 1, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28045144/adsorbate-interactions-on-the-gan-0001-surface-and-their-effect-on-diffusion-barriers-and-growth-morphology
#18
Manjusha Chugh, Madhav Ranganathan
Studying the adsorbate interactions on a surface helps in understanding the growing surface morphologies and calculating the effective surface diffusion barriers. We study the interaction between Ga-Ga, N-N and Ga-N adatom pairs on the polar GaN(0001) surface using ab initio calculations based on density functional theory. The interaction energy between two adatoms on the surface does not seem to follow definite trends with increasing distance between the adatoms. The presence of a number of possible reconstructions on clean GaN(0001) and periodic effects due to the finite size complicate the analysis of the interactions...
January 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28010081/analysis-of-the-lattice-kinetic-monte-carlo-method-in-systems-with-external-fields
#19
Young Ki Lee, Talid Sinno
The lattice kinetic Monte Carlo (LKMC) method is studied in the context of Brownian particles subjected to drift forces, here principally represented by external fluid flow. LKMC rate expressions for particle hopping are derived that satisfy detailed balance at equilibrium while also providing correct dynamical trajectories in advective-diffusive situations. Error analyses are performed for systems in which collections of particles undergo Brownian motion while also being advected by plug and parabolic flows...
December 21, 2016: Journal of Chemical Physics
https://www.readbyqxmd.com/read/27997166/operative-mechanism-of-hole-assisted-negative-charge-motion-in-ground-states-of-radical-anion-molecular-wires
#20
Carlos Franco, Paula Mayorga Burrezo, Vega Lloveras, Rubén Caballero, Isaac Alcón, Stefan T Bromley, Marta Mas-Torrent, Fernando Langa, Juan T López Navarrete, Concepciò Rovira, Juan Casado, Jaume Veciana
Charge transfer/transport in molecular wires over varying distances is a subject of great interest. The feasible transport mechanisms have been generally accounted for on the basis of tunneling or superexchange charge transfer operating over small distances which progressively gives way to hopping transport over larger distances. The underlying molecular sequential steps that likely take place during hopping and the operative mechanism occurring at intermediate distances have received much less attention given the difficulty in assessing detailed molecular-level information...
January 18, 2017: Journal of the American Chemical Society
keyword
keyword
83224
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"