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# HOPS

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#1
Katerina Bogdanova, Milan Kolar, Katerina Langova, Martin Dusek, Alexandr Mikyska, Vanda Bostikova, Pavel Bostik, Jana Olsovska
AIM: Our research focused on the antimicrobial effects of purified hop (Humulus lupulus L.) fractions including α-bitter acids (humulones), β-bitter acids (lupulones) and xanthohumol, and a commercial CO2 hop extract of bitter acids against reference and multi-resistant strains of Gram-positive and Gram-negative bacteria and against selected yeast strains. METHODS: In vitro testing of antimicrobial activity was performed according to standard testing protocols (EUCAST)...
May 23, 2018: Biomedical Papers of the Medical Faculty of the University Palacký, Olomouc, Czechoslovakia
#2
Jens Karschau, Marco Zimmerling, Benjamin M Friedrich
Motivated by multi-hop communication in unreliable wireless networks, we present a percolation theory for time-varying networks. We develop a renormalization group theory for a prototypical network on a regular grid, where individual links switch stochastically between active and inactive states. The question whether a given source node can communicate with a destination node along paths of active links is equivalent to a percolation problem. Our theory maps the temporal existence of multi-hop paths on an effective two-state Markov process...
May 22, 2018: Scientific Reports
#3
Elliot M Greenberg, Eric T Greenberg, Jeffrey Albaugh, Eileen Storey, Theodore J Ganley
Study Design Cross-sectional survey. Background Recovery from anterior cruciate ligament reconstruction (ACLR) requires an intensive course of post-operative rehabilitation. Although guidelines outlining evidence-based rehabilitation recommendations have been published, the actual practice patterns of physical therapists are unknown. Objectives To analyze the current landscape of clinical practice as it pertains to rehabilitation progression and the use of time and objective criteria following ACLR. Methods An online survey was distributed to members of the orthopaedics, sports and private practice sections of the American Physical Therapy Association (APTA) between January and March 2017...
May 22, 2018: Journal of Orthopaedic and Sports Physical Therapy
#4
Samuele Giannini, Antoine Carof, Jochen Blumberger
The mechanism of charge transport (CT) in a 1D atomistic model of an organic semiconductor is investigated using surface hopping non-adiabatic molecular dynamics. The simulations benefit from a newly implemented state-tracking algorithm that accounts for trivial surface crossings and from a projection algorithm that removes decoherence correction-induced artificial long-range charge transfer. The CT mechanism changes from slow hopping of a fully localized charge to fast diffusion of a polaron delocalized over several molecules, as electronic coupling between the molecules exceeds the critical threshold $V \geq \lambda/2$ ($\lambda$ the reorganization energy)...
May 22, 2018: Journal of Physical Chemistry Letters
#5
F Heydarinasab, J Abouie
We study the ground state phase diagram of a two dimensional mixed-spin system of coupled alternating spin-1 and 1/2 chains with a stripe supersolid phase. Utilizing different analytical and numerical approaches such as mean field approximation, cluster mean field theory and linear spin wave theory, we demonstrate that our system displays a rich ground state phase diagram including novel stripe supersolid, solids with different fillings and super-counterfluid phases, in addition to a stripe solid with half filling, superfluid and Mott insulating phases...
May 21, 2018: Scientific Reports
#6
Supriya Khanra, Y Pavan Kumar, Jyotirmayee Dash, Rahul Banerjee
OBJECTIVE: The rapid emergence of drug resistant Leishmanial strains makes it imperative to continue the development of cheap and effective drugs against the parasite. Due to the absence of effective vaccines against leishmaniasis, current therapeutic measures exclusively rely on chemotherapy. Here we attempt, to identify novel antileishmanial from a list of known drugs determined from a previous bioinformatics study. Synergism between various drug combinations (involving netilmicin, suramin, paromomycin and curcumin) have been estimated to identify potent multidrug therapies to combat the disease...
May 21, 2018: BMC Research Notes
#7
Dai Sugimoto, Benton E Heyworth, Sara E Collins, Ryan T Fallon, Mininder S Kocher, Lyle J Micheli
Background: The influence of graft type on recovery after anterior cruciate ligament reconstruction (ACLR) has not been adequately studied in pediatric patients. Purpose: To describe lower extremity functional recovery parameters at the 6-month mark after ACLR across 3 distinct groups of skeletally immature patients: pediatric male patients with transphyseal hamstring grafts (PM-HS), pediatric female patients with transphyseal hamstring grafts (PF-HS), and pediatric male patients with extraphyseal iliotibial band grafts (PM-ITB)...
April 2018: Orthopaedic Journal of Sports Medicine
#8
Donglei Bu, Yingqi Xiong, Ying Ning Tan, Miao Meng, Paul J Low, Dai-Bin Kuang, Chun Y Liu
Layer-by-layer assembly of the dirhodium complex [Rh2 (O2 CCH3 )4 ] (Rh2 ) with linear N , N '-bidentate ligands pyrazine (LS ) or 1,2-bis(4-pyridyl)ethene (LL ) on a gold substrate has developed two series of redox active molecular wires, (Rh2 LS ) n @Au and (Rh2 LL ) n @Au ( n = 1-6). By controlling the number of assembling cycles, the molecular wires in the two series vary systematically in length, as characterized by UV-vis spectroscopy, cyclic voltammetry and atomic force microscopy. The current-voltage characteristics recorded by conductive probe atomic force microscopy indicate a mechanistic transition for charge transport from voltage-driven to electrical field-driven in wires with n = 4, irrespective of the nature and length of the wires...
April 14, 2018: Chemical Science
#9
Morag R Hunter, Geoffrey G Hesketh, Tomasz H Benedyk, Anne-Claude Gingras, Stephen C Graham
Multi-subunit tethering complexes control membrane fusion events in eukaryotic cells. CORVET and HOPS are two such complexes, both containing the Sec1/Munc18 protein subunit VPS33A. Metazoans additionally possess VPS33B, which has considerable sequence similarity to VPS33A but does not integrate into CORVET or HOPS complexes and instead stably interacts with VIPAR. It has been recently suggested that VPS33B and VIPAR comprise two subunits of a novel multi-subunit tethering complex (named "CHEVI"), perhaps analogous in configuration to CORVET and HOPS...
May 17, 2018: Journal of Molecular Biology
#10
Hongtao Rong, Yueshan Fan, Mengchen Yang, Baoliang Zhang, Dongdong Sun, Zilong Zhao, Dong Wang, Weidong Fan, Jianhao Wang, Gang Gu, Fanjian Li, Xilei Liu, Chenxu Rao, Huijiao Chen, Yi Wang, Ye Tian, Jianning Zhang
Microparticles are cell fragments derived from damaged cells that are able to present an antigen from the parent cells to other cells to activate intracellular signaling pathways. Microparticles are closely related to the inflammatory response. Brain-derived microparticles (BDMPs) play an important role in brain injury. However, the inflammatory effect of BDMPs on microglia/macrophages remains unclear. The BDMPs were consumed by microglia/macrophages in vivo and in vitro. The BDMPs activated microglia/macrophages and changed their morphology in vitro...
May 16, 2018: Brain Research
#11
Anne Neumann, Enno Swart, Dennis Häckl, Roman Kliemt, Stefanie March, Denise Küster, Katrin Arnold, Thomas Petzold, Fabian Baum, Martin Seifert, Jessika Weiß, Andrea Pfennig, Jochen Schmitt
BACKGROUND: Close, continuous and efficient collaboration between different professions and sectors of care is necessary to provide patient-centered care for individuals with mental disorders. The lack of structured collaboration between in- and outpatient care constitutes a limitation of the German health care system. Since 2012, a new law in Germany (§64b Social code book (SGB) V) has enabled the establishment of cross-sectoral and patient-centered treatment models in psychiatry. Such model projects follow a capitation budget, i...
May 18, 2018: BMC Psychiatry
#12
Hyungjoon Soh, Meesoon Ha, Hawoong Jeong
We revisit the slow-bond (SB) problem of the one-dimensional (1D) totally asymmetric simple exclusion process (TASEP) with modified hopping rates. In the original SB problem, it turns out that a local defect is always relevant to the system as jamming, so that phase separation occurs in the 1D TASEP. However, crossover scaling behaviors are also observed as finite-size effects. In order to check if the SB can be irrelevant to the system with particle interaction, we employ the condensation concept in the zero-range process...
March 2018: Physical Review. E
#13
Florian Denis-le Coarer, Ana Quirce, Angel Valle, Luis Pesquera, Miguel A Rodríguez, Krassimir Panajotov, Marc Sciamanna
We present experimental and theoretical results of noise-induced attractor hopping between dynamical states found in a single transverse mode vertical-cavity surface-emitting laser (VCSEL) subject to parallel optical injection. These transitions involve dynamical states with different polarizations of the light emitted by the VCSEL. We report an experimental map identifying, in the injected power-frequency detuning plane, regions where attractor hopping between two, or even three, different states occur. The transition between these behaviors is characterized by using residence time distributions...
March 2018: Physical Review. E
#14
Sutapa Mukherji
In this paper, we study a one-dimensional totally asymmetric simple exclusion process with position-dependent hopping rates. Under open boundary conditions, this system exhibits boundary-induced phase transitions in the steady state. Similarly to totally asymmetric simple exclusion processes with uniform hopping, the phase diagram consists of low-density, high-density, and maximal-current phases. In various phases, the shape of the average particle density profile across the lattice including its boundary-layer parts changes significantly...
March 2018: Physical Review. E
#15
Manman Wei, Xia Peng, Li Xing, Yang Dai, Ruimin Huang, Meiyu Geng, Ao Zhang, Jing Ai, Zilan Song
Starting from the phase II clinical FGFR inhibitor lucitanib (2), we conducted a medicinal chemistry approach by opening the central quinoline skeleton coupled with a scaffold hopping process thus leading to a series of novel 2-benzamide-4-(6-oxy-N-methyl-1-naphthamide)-pyridine derivatives. Compound 25a was identified to show selective and equally high potency against FGFR1/2 and VEGFR2 with IC50 values less than 5.0 nM. Significant antiproliferative effects on both FGFR1/2 and VEGFR2 aberrant cancer cells were observed...
May 15, 2018: European Journal of Medicinal Chemistry
#16
Kotaro Tsuboyama, Hisashi Tadakuma, Yukihide Tomari
Loading of small RNAs into Argonaute, the core protein in RNA silencing, requires the Hsp70/Hsp90 chaperone machinery. This machinery also activates many other clients, including steroid hormone receptors and kinases, but how their structures change during chaperone-dependent activation remains unclear. Here, we utilized single-molecule Förster resonance energy transfer (smFRET) to probe the conformational changes of Drosophila Ago2 mediated by the chaperone machinery. We found that empty Ago2 exists in various closed conformations...
May 17, 2018: Molecular Cell
#17
Kevin Breslin, John Joseph Wade, KongFatt Wong-Lin, Jim Harkin, Bronac Flanagan, Harm Van Zalinge, Steve Hall, Matthew Walker, Alexei Verkhratsky, Liam McDaid
A biophysical model that captures molecular homeostatic control of ions at the perisynaptic cradle (PsC) is of fundamental importance for understanding the interplay between astroglial and neuronal compartments. In this paper, we develop a multi-compartmental mathematical model which proposes a novel mechanism whereby the flow of cations in thin processes is restricted due to negatively charged membrane lipids which result in the formation of deep potential wells near the dipole heads. These wells restrict the flow of cations to "hopping" between adjacent wells as they transverse the process, and this surface retention of cations will be shown to give rise to the formation of potassium (K+) and sodium (Na+) microdomains at the PsC...
May 18, 2018: PLoS Computational Biology
#18
Jennifer L Werner, Julie P Burland, Carl G Mattacola, Jenny Toonstra, Robert A English, Jennifer S Howard
CONTEXT:   Anterior cruciate ligament (ACL) reconstruction (ACLR) is the most commonly used method for helping athletes regain function and return to preinjury activity levels after ACL injury. Outcomes after ACLR have suggested that athletes return to a level of function that would support a return to sport participation; however, in a recent meta-analysis, pooled return rates were only 55%. It is unclear whether this discrepancy is a result of functional impairments. OBJECTIVE:   To compare patient-reported outcomes (PROs), dynamic balance, dynamic functional performance, strength, and muscular endurance in athletes who have returned to sport (RTS) and athletes who have not returned to sport (NRTS) after ACLR...
May 18, 2018: Journal of Athletic Training
#19
Gerald J Wang, Nicolas G Hadjiconstantinou
Molecular diffusion under nanoconfinement can differ significantly from diffusion in bulk fluids. Using molecular-dynamics simulations and molecular-mechanics arguments, we elucidate the effect of layering at the confining boundaries on the self-diffusion of a simple, single-phase, confined fluid. In particular, we show that anomalous diffusion due to layering is controlled by the degree of layering as quantified by the recently proposed Wall number (Wa), which compares the strength of the wall-fluid interaction to the thermal energy...
May 18, 2018: Langmuir: the ACS Journal of Surfaces and Colloids
#20
Takuya Mabuchi, Takashi Tokumasu
A reactive molecular dynamics simulation has been performed for the characterization of the relationship between proton transport and water clustering in polymer electrolyte membranes. We have demonstrated that the anharmonic two-state empirical valence bond ( aTS-EVB) model is capable of describing efficiently excess proton transport through the Grotthuss hopping mechanism within the simplicity of the theoretical framework. In order to explore the long-time diffusion behavior in PFSA membranes with statistical certainty, simulations that are longer than 10 ns are needed...
May 18, 2018: Journal of Physical Chemistry. B
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