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Functional Hops

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https://www.readbyqxmd.com/read/29221386/finite-temperature-dynamics-of-a-holstein-polaron-the-thermo-field-dynamics-approach
#1
Lipeng Chen, Yang Zhao
Combining the multiple Davydov D2 Ansatz with the method of thermo-field dynamics, we study finite temperature dynamics of a Holstein polaron on a lattice. It has been demonstrated, using the hierarchy equations of motion method as a benchmark, that our approach provides an efficient, robust description of finite temperature dynamics of the Holstein polaron in the simultaneous presence of diagonal and off-diagonal exciton-phonon coupling. The method of thermo-field dynamics handles temperature effects in the Hilbert space with key numerical advantages over other treatments of finite-temperature dynamics based on quantum master equations in the Liouville space or wave function propagation with Monte Carlo importance sampling...
December 7, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29219415/strongly-correlated-metal-built-from-sachdev-ye-kitaev-models
#2
Xue-Yang Song, Chao-Ming Jian, Leon Balents
Prominent systems like the high-T_{c} cuprates and heavy fermions display intriguing features going beyond the quasiparticle description. The Sachdev-Ye-Kitaev (SYK) model describes a (0+1)D quantum cluster with random all-to-all four-fermion interactions among N fermion modes which becomes exactly solvable as N→∞, exhibiting a zero-dimensional non-Fermi-liquid with emergent conformal symmetry and complete absence of quasiparticles. Here we study a lattice of complex-fermion SYK dots with random intersite quadratic hopping...
November 24, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/29218993/energy-landscape-of-the-substrate-translocation-equilibrium-of-plasma-membrane-glutamate-transporters
#3
Jiali Wang, Thomas Albers, Christof T Grewer
Glutamate transporters maintain a large glutamate concentration gradient across synaptic membranes and are, thus, critical for functioning of the excitatory synapse. Mammalian glutamate transporters concentrate glutamate inside cells through energetic coupling of glutamate flux to the transmembrane concentration gradient of Na+. Structural models based on an archeal homologue of mammalian glutamate transporters, GltPh, suggest an elevator-like carrier mechanism. However, the energetic determinants of this carrier-based movement are not well understood...
December 8, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29213073/reversible-silencing-of-lumbar-spinal-interneurons-unmasks-a-task-specific-network-for-securing-hindlimb-alternation
#4
Amanda M Pocratsky, Darlene A Burke, Johnny R Morehouse, Jason E Beare, Amberly S Riegler, Pantelis Tsoulfas, Gregory J R States, Scott R Whittemore, David S K Magnuson
Neural circuitry in the lumbar spinal cord governs two principal features of locomotion, rhythm and pattern, which reflect intra- and interlimb movement. These features are functionally organized into a hierarchy that precisely controls stepping in a stereotypic, speed-dependent fashion. Here, we show that a specific component of the locomotor pattern can be independently manipulated. Silencing spinal L2 interneurons that project to L5 selectively disrupts hindlimb alternation allowing a continuum of walking to hopping to emerge from the otherwise intact network...
December 6, 2017: Nature Communications
https://www.readbyqxmd.com/read/29211071/molecular-dynamics-simulation-of-geminal-dicationic-ionic-liquids-cn-mim-2-ntf2-2-structural-and-dynamical-properties
#5
Majid Moosavi, Fatemeh Khashei, Elaheh Sedghamiz
In this work, the structural and dynamical properties of two imidazolium-based geminal dicationic ionic liquids (GDILs), i.e. [Cn(mim)2][NTf2]2 with n = 3 and 5, have been studied to obtain a fundamental understanding of the molecular basis of the macroscopic and microscopic properties of the bulk liquid phase. To achieve this purpose, molecular dynamics (MD) simulation, density functional theory (DFT) and atoms in molecule (AIM) methods were used. Interaction energies, charge transfers and hydrogen bonds between the cation and anions of each studied GDIL were investigated by DFT calculations and also AIM...
December 6, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29210368/polaron-formation-mechanisms-in-conjugated-polymers
#6
Joel H Bombile, Michael J Janik, Scott T Milner
In semiconducting polymers, interactions with conformational degrees of freedom can localize charge carriers, and strongly affect charge transport. Polarons can form when charges induce deformations of the surrounding medium, including local vibrational modes or dielectric polarization. These deformations then interact attractively with the charge, tending to localize it. First we investigate vibrational polaron formation in poly(3-hexylthiophene) [P3HT], with a tight-binding model for charges hopping between adjacent rings, coupled to ring distortions...
December 5, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29208657/assembly-of-intermediates-for-rapid-membrane-fusion
#7
Max Harner, William Wickner
Membrane fusion is essential for intracellular protein sorting, cell growth, hormone secretion, and neurotransmission. Rapid membrane fusion requires tethering and Sec1-Munc18 (SM) function to catalyze R-, Qa-, Qb-, and Qc-SNARE complex assembly in trans, as well as SNARE engagement by the SNARE-binding chaperone Sec17/αSNAP. The hexameric vacuolar HOPS complex in the yeast Saccharomyces cerevisiae tethers membranes through its affinities for the membrane Rab GTPase Ypt7. HOPS also has specific affinities for the vacuolar SNAREs and catalyzes SNARE complex assembly, but the order of their assembly into a 4-SNARE complex is unclear...
December 5, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/29207203/a-rotaxane-scaffold-bearing-multiple-redox-centers-synthesis-surface-modification-and-electrochemical-properties
#8
Jean-Francois Nierengarten, Marie Steffenhagen, Alina Latus, Thi Minh Nguyet Trinh, Iwona Nierengarten, Ivan T Lucas, Suzanne Joiret, Jessem Landoulsi, Béatrice Delavaux-Nicot, Emmanuel Maisonhaute
A rotaxane scaffold incorporating two dithiolane anchoring units for the modification of gold surfaces has been functionalized with multiple copies of a redox unit, namely ferrocene. Surface modification has been first assessed at the single molecule level by atomic force microscopy (AFM) and scanning tunneling microscopy (STM) imaging, while tip enhanced Raman spectroscopy (TERS) provided the local vibrational signature of the ferrocenyl subunits of the rotaxanes grafted onto the gold surface. Finally, oxidation of the redox moieties within a rotaxane scaffold grafted onto gold microelectrodes has been investigated by ultrafast cyclic voltammetry...
December 5, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29203404/the-imaging-fcs-diffusion-law-in-the-presence-of-multiple-diffusive-modes
#9
Sapthaswaran Veerapathiran, Thorsten Wohland
The cellular plasma membrane is the barrier over which cells exchange materials and communicate with their surroundings, and thus plays the central role in cellular sensing and metabolism. Therefore, the investigation of plasma membrane organization and dynamics is required for understanding of cellular functions. The plasma membrane is a heterogeneous matrix. The presence of structures such as lipid and protein domains and the cytoskeleton meshwork poses a hindrance to the free diffusion of membrane associated biomolecules...
December 1, 2017: Methods: a Companion to Methods in Enzymology
https://www.readbyqxmd.com/read/29201925/a-comparison-of-nonoperative-and-operative-treatment-of-complete-proximal-hamstring-ruptures
#10
Braidy C Shambaugh, Joshua R Olsen, Edward Lacerte, Ethan Kellum, Suzanne L Miller
Background: The early repair of acute proximal hamstring ruptures provides better clinical results than delayed repair. However, it is unclear how nonoperative treatment compares with the operative treatment of these injuries. Purpose: To compare the clinical results of the nonoperative and operative treatment of acute proximal hamstring ruptures. Study Design: Cohort study; Level of evidence, 3. Methods: A total of 25 patients with complete, retracted proximal hamstring ruptures presenting to 1 institution were retrospectively reviewed...
November 2017: Orthopaedic Journal of Sports Medicine
https://www.readbyqxmd.com/read/29201266/band-gap-in-magnetite-above-verwey-temperature-induced-by-symmetry-breaking
#11
Hongsheng Liu, Cristiana Di Valentin
Magnetite exhibits a famous phase transition, called Verwey transition, at the critical temperature TV of about 120 K. Although numerous efforts have been devoted to the understanding of this interesting transition, up to now, it is still under debate whether a charge ordering and a band gap exist in magnetite above TV. Here, we systematically investigate the charge ordering and the electronic properties of magnetite in its cubic phase using different methods based on density functional theory: DFT+U and hybrid functionals...
November 22, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/29190106/effect-of-aspect-ratio-on-multiparticle-auger-recombination-in-single-walled-carbon-nanotubes-time-domain-atomistic-simulation
#12
Sougata Pal, David Casanova, Oleg V Prezhdo
Many-particle Auger-type processes are common in nanoscale materials due to a combination of high densities of states that can support multiple excitations and substantial Coulomb coupling between charges enhanced by quantum confinement. Auger decay dynamics in (10,5) semiconductor carbon nanotubes (CNT) with different aspect ratios and particle densities are simulated in time domain using global flux surface hopping, recently developed and implemented within Kohn-Sham tight-binding density functional theory...
November 30, 2017: Nano Letters
https://www.readbyqxmd.com/read/29188336/no-risk-of-arthrofibrosis-after-acute-anterior-cruciate-ligament-reconstruction
#13
Karl Eriksson, Christoffer von Essen, Sven Jönhagen, Björn Barenius
PURPOSE: To compare acute ACL reconstruction (ACLR) within 8 days of injury with delayed reconstruction after normalized range of motion (ROM), 6-10 weeks after injury. It was hypothesized that acute ACL reconstruction with modern techniques is safe and can be beneficial in terms of patient-reported outcomes and range of motion. METHODS: Sample size calculation indicated 64 patients would be required to find a 5° difference in ROM at 3 months. Seventy patients with high recreational activity level, Tegner level 6 or more, were randomized to acute (within 8 days) or delayed (6-10 weeks) ACLR between 2006 and 2013...
November 29, 2017: Knee Surgery, Sports Traumatology, Arthroscopy: Official Journal of the ESSKA
https://www.readbyqxmd.com/read/29187310/changes-in-lower-limb-strength-and-function-following-lumbar-spinal-mobilization
#14
Tsoi Sze Yuen, Pui Yu Lam, Mei Yan Lau, Wai Lam Siu, Ka Man Yu, Chi Ngai Lo, Joseph Ng
OBJECTIVE: The purpose of this study was to investigate whether grade III passive lumbar rotational mobilization on L2-3 can improve hip flexor strength and performance in the single-leg triple-hop test in asymptomatic young adults. METHODS: Twenty-four participants (12 men, 12 women) aged from 19 to 26 years who were positive in the hip flexor "break" test were recruited in this study. They were randomly allocated to the treatment group or sham group. Isometric hip flexor torque (N·m) and single-leg triple-hop distance (cm) were measured before and after a passive lumbar rotational mobilization or a sham intervention...
October 2017: Journal of Manipulative and Physiological Therapeutics
https://www.readbyqxmd.com/read/29185004/poor-knee-function-after-acl-reconstruction-is-associated-with-attenuated-landing-force-and-knee-flexion-moment-during-running
#15
Luke G Perraton, Michelle Hall, Ross A Clark, Kay M Crossley, Yong-Hao Pua, Tim S Whitehead, Hayden G Morris, Adam G Culvenor, Adam L Bryant
PURPOSE: Poor knee function after anterior cruciate ligament reconstruction (ACLR) may increase the risk of future knee symptoms and knee osteoarthritis via abnormal knee joint loading patterns, particularly during high-impact activity. This study aimed to assess the relationship between poor self-reported or clinically measured knee function and knee moments/vertical ground reaction force (vGRF) in individuals following ACLR. METHODS: 61 participants (mean 16.5 ± 3 months following ACLR, 23 women) completed a patient-reported knee function questionnaire and three hop tests (% of uninvolved limb)...
November 28, 2017: Knee Surgery, Sports Traumatology, Arthroscopy: Official Journal of the ESSKA
https://www.readbyqxmd.com/read/29182436/vertical-and-horizontal-jump-capacity-in-international-cerebral-palsy-football-players
#16
Raul Reina, Aitor Iturricastillo, Rafael Sabido, Maria Campayo-Piernas, Javier Yanci
PURPOSE: the aims of the present study were to evaluate the reliability and validity of vertical and horizontal jump tests in football players with cerebral palsy (FPCP), and to analyze the jump performance differences between current IFCPF functional classes (i.e. FT5-FT8). METHODS: One hundred and thirty-two international para-footballers (25.8 ± 6.7 years; 70.0 ± 9.1 kg; 175.7 ± 7.3 cm; 22.8 ± 2.8 kg·m-2; 10.7 ± 7.5 years training experience) participated in the study...
November 28, 2017: International Journal of Sports Physiology and Performance
https://www.readbyqxmd.com/read/29168785/ftuc-a-flooding-tree-uneven-clustering-protocol-for-a-wireless-sensor-network
#17
Wei He, Sebastien Pillement, Du Xu
Clustering is an efficient approach in a wireless sensor network (WSN) to reduce the energy consumption of nodes and to extend the lifetime of the network. Unfortunately, this approach requires that all cluster heads (CHs) transmit their data to the base station (BS), which gives rise to the long distance communications problem, and in multi-hop routing, the CHs near the BS have to forward data from other nodes that lead those CHs to die prematurely, creating the hot zones problem. Unequal clustering has been proposed to solve these problems...
November 23, 2017: Sensors
https://www.readbyqxmd.com/read/29168225/gaba-modulating-phytomedicines-for-anxiety-a-systematic-review-of-preclinical-and-clinical-evidence
#18
REVIEW
Karen Savage, Joseph Firth, Con Stough, Jerome Sarris
Anxiety disorders are chronic and functionally disabling conditions with high psychological stress, characterised by cognitive symptoms of excessive worry and focus difficulties and physiological symptoms such as muscle tension and insomnia. Gamma-aminobutyric acid (GABA) is an inhibitory neurotransmitter within the central nervous system and is a key target of pharmacotherapies in the treatment of anxiety. Although current pharmaceutical treatments are often efficacious, they may cause undesirable side effects including cognitive decrements and withdrawal symptoms...
November 23, 2017: Phytotherapy Research: PTR
https://www.readbyqxmd.com/read/29165603/all-roads-lead-to-the-vacuole-autophagic-transport-as-part-of-the-endomembrane-trafficking-network-in-plants
#19
Kamila Kalinowska, Erika Isono
Plants regulate their development and response to the changing environment by sensing and interpreting environmental signals. Intracellular trafficking pathways including endocytic-, vacuolar-, and autophagic trafficking are important for the various aspects of responses in plants. Studies in the last decade have shown that the autophagic transport pathway uses common key components of endomembrane trafficking as well as specific regulators. A number of factors previously described for their function in endosomal trafficking have been discovered to be involved in the regulation of autophagy in plants...
November 19, 2017: Journal of Experimental Botany
https://www.readbyqxmd.com/read/29164167/single-leg-hop-test-performance-and-isokinetic-knee-strength-after-anterior-cruciate-ligament-reconstruction-in-athletes
#20
Ted Sueyoshi, Akihiro Nakahata, Gen Emoto, Tomoki Yuasa
Background: Isokinetic strength and hop tests are commonly used to assess athletes' readiness to return to sport after knee surgery. Purpose/Hypothesis: The purpose of this study was to investigate the results of single-leg hop and isokinetic knee strength testing in athletes who underwent anterior cruciate ligament reconstruction (ACLR) upon returning to sport participation as well as to study the correlation between these 2 test batteries. The secondary purpose was to compare the test results by graft type (patellar tendon or hamstring)...
November 2017: Orthopaedic Journal of Sports Medicine
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