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https://www.readbyqxmd.com/read/28646754/free-energy-analysis-of-cell-spreading
#1
Eóin McEvoy, Vikram S Deshpande, Patrick McGarry
In this study we present a steady-state adaptation of the thermodynamically motivated stress fiber (SF) model of Vigliotti et al. (2015). We implement this steady-state formulation in a non-local finite element setting where we also consider global conservation of the total number of cytoskeletal proteins within the cell, global conservation of the number of binding integrins on the cell membrane, and adhesion limiting ligand density on the substrate surface. We present a number of simulations of cell spreading in which we consider a limited subset of the possible deformed spread-states assumed by the cell in order to examine the hypothesis that free energy minimization drives the process of cell spreading...
June 7, 2017: Journal of the Mechanical Behavior of Biomedical Materials
https://www.readbyqxmd.com/read/28646566/structural-neuroimaging-correlates-of-alcohol-and-cannabis-use-in-adolescents-and-adults
#2
Rachel E Thayer, Sophie YorkWilliams, Hollis C Karoly, Amithrupa Sabbineni, Sarah Feldstein Ewing, Angela D Bryan, Kent E Hutchison
BACKGROUND AND AIMS: Chronic alcohol use is associated with lower gray matter volume, and we recently reported that alcohol use showed negative associations with widespread gray matter (GM) volume even among young adults. The current study aimed to test the strength of association between (1) alcohol use and GM volume; (2) alcohol use and white matter (WM) integrity; (3) cannabis use and GM volume; and (4) cannabis use and WM integrity among adults and adolescents. DESIGN AND SETTING: General linear models within large pooled cross-sectional samples of adolescents and adults who had participated in studies collecting substance use and neuroimaging data in the southwestern United States...
June 23, 2017: Addiction
https://www.readbyqxmd.com/read/28646561/pathways-to-arithmetic-fact-retrieval-and-percentage-calculation-in-adolescents
#3
Ulf Träff, Kenny Skagerlund, Linda Olsson, Rickard Östergren
BACKGROUND: Developing sufficient mathematical skills is a prerequisite to function adequately in society today. Given this, an important task is to increase our understanding regarding the cognitive mechanisms underlying young people's acquisition of early number skills and formal mathematical knowledge. AIMS: The purpose was to examine whether the pathways to mathematics model provides a valid account of the cognitive mechanisms underlying symbolic-number processing and mathematics in adolescents...
June 23, 2017: British Journal of Educational Psychology
https://www.readbyqxmd.com/read/28646135/active-translocation-of-a-semiflexible-polymer-assisted-by-an-atp-based-molecular-motor
#4
A Fiasconaro, J J Mazo, F Falo
In this work we study the assisted translocation of a polymer across a membrane nanopore, inside which a molecular motor exerts a force fuelled by the hydrolysis of ATP molecules. In our model the motor switches to its active state for a fixed amount of time, while it waits for an ATP molecule which triggers the motor, during an exponentially distributed time lapse. The polymer is modelled as a beads-springs chain with both excluded volume and bending contributions, and moves in a stochastic three dimensional environment modelled with a Langevin dynamics at a fixed temperature...
June 23, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28645224/a-symphony-of-cyclases-specificity-in-diguanylate-cyclase-signaling
#5
Kurt M Dahlstrom, George A O'Toole
Cyclic diguanylate (c-di-GMP) is a near universal signaling molecule produced by diguanylate cyclases that can direct a variety of bacterial behaviors. A major area of research over the last several years has been aimed at understanding how a cell with dozens of diguanylate cyclases can deploy a given subset of them to produce a desired phenotypic outcome without undesired cross talk between c-di-GMP-dependent systems. Several models have been put forward to address this question, including specificity of cyclase activation, tuned binding constants of effector proteins, and physical interaction between cyclases and effectors...
June 23, 2017: Annual Review of Microbiology
https://www.readbyqxmd.com/read/28644974/immature-human-dcs-efficiently-translocate-endocytosed-antigens-into-the-cytosol-for-proteasomal-processing
#6
Renato B Baleeiro, Peter Walden
Cross-presentation of endocytosed antigen is essential for induction of CD8 effector T cell responses and a hallmark of dendritic cells (DCs). The mode of antigen processing in this context is controversial and some models imply translocation of the antigen from the endosomes into the cytosol. To test this hypothesis we made use of the pro-apoptotic properties of cytochrome c when in the cytosol, and confirmed that it indeed triggered apoptosis of human immature DCs but only at high concentrations. Proteasome inhibitors reduced the required concentration of cytochrome c thousand-fold, indicating that protein translocated into the cytosol is rapidly degraded by proteasomes...
June 20, 2017: Molecular Immunology
https://www.readbyqxmd.com/read/28644672/topological-fractional-pumping-with-alkaline-earth-like-atoms-in-synthetic-lattices
#7
Luca Taddia, Eyal Cornfeld, Davide Rossini, Leonardo Mazza, Eran Sela, Rosario Fazio
Alkaline-earth(-like) atoms, trapped in optical lattices and in the presence of an external gauge field, can form insulating states at given fractional fillings. We will show that, by exploiting these properties, it is possible to realize a topological fractional pump. Our analysis is based on a many-body adiabatic expansion, on simulations with time-dependent matrix product states, and, for a specific form of atom-atom interaction, on an exactly solvable model of fractional pump. The numerical simulations allow us to consider a realistic setup amenable of an experimental realization...
June 9, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28644638/ferroelectric-domain-patterning-controlled-schottky-junction-state-in-monolayer-mos_-2
#8
Zhiyong Xiao, Jingfeng Song, David K Ferry, Stephen Ducharme, Xia Hong
We exploit scanning-probe-controlled domain patterning in a ferroelectric top layer to induce nonvolatile modulation of the conduction characteristic of monolayer MoS_{2} between a transistor and a junction state. In the presence of a domain wall, MoS_{2} exhibits rectified I-V characteristics that are well described by the thermionic emission model. The induced Schottky barrier height Φ_{B}^{eff} varies from 0.38 to 0.57 eV and is tunable by a SiO_{2} global back gate, while the tuning range of Φ_{B}^{eff} depends sensitively on the conduction-band-tail trapping states...
June 9, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28643374/population-pharmacokinetic-and-pharmacodynamic-modeling-of-ly2510924-in-patients-with-advanced-cancer
#9
S Bihorel, E Raddad, J Fiedler-Kelly, J R Stille, J Hing, E Ludwig
The objectives of this study were to characterize the pharmacokinetics (PK) of LY2510924, a potent peptide antagonist of the CXCR4 receptor, after subcutaneous administration in patients with advanced cancer forms and quantify LY2510924 stimulatory effects on the mobilization of cells bearing the cluster of differentiation 34 (CD34) as an indirect reflection of the chemokine C-X-C motif ligand 12/CXCR4 axis inhibition. LY2510924 PK were best characterized by a 2-compartment model with first-order absorption and dose-dependent clearance predicting steady state after three daily doses and little accumulation (accumulation ratio <1...
June 23, 2017: CPT: Pharmacometrics & Systems Pharmacology
https://www.readbyqxmd.com/read/28643192/on-the-kinetics-of-body-versus-end-evaporation-and-addition-of-supramolecular-polymers
#10
Nitin S Tiwari, Paul van der Schoot
The kinetics of the self-assembly of supramolecular polymers is dictated by how monomers, dimers, trimers etc., attach to and detach from each other. It is for this reasons that researchers have proposed a plethora of pathways to explain the kinetics of various self-assembling supramolecules, including sulfur, linear micelles, living polymers and protein fibrils. Recent observations hint at the importance of a hitherto ignored molecular aggregation pathway that we refer to as "body evaporation and addition"...
June 2017: European Physical Journal. E, Soft Matter
https://www.readbyqxmd.com/read/28641605/state-dependent-parasitism-by-a-facultative-parasite-of-fruit-flies
#11
Lien T Luong, Taylor Brophy, Emily Stolz, Solomon J Chan
Parasites can evolve phenotypically plastic strategies for transmission such that a single genotype can give rise to a range of phenotypes depending on the environmental condition. State-dependent plasticity in particular can arise from individual differences in the parasite's internal state or the condition of the host. Facultative parasites serve as ideal model systems for investigating state-dependent plasticity because individuals can exhibit two life history strategies (free-living or parasitic) depending on the environment...
June 23, 2017: Parasitology
https://www.readbyqxmd.com/read/28641466/a-model-of-lipid-rearrangements-during-pore-formation-in-the-dppc-lipid-bilayer
#12
Artur Wrona, Krystian Kubica
CONTEXT: The molecular bases of pore formation in the lipid bilayer remain unclear, as do the exact characteristics of their sizes and distributions. To understand this process, numerous studies have been performed on model lipid membranes including cell-sized giant unilamellar vesicles (GUV). The effect of an electric field on DPPC GUV depends on the lipid membrane state: in the liquid crystalline phase the created pores have a cylinder-like shape, whereas in the gel phase a crack has been observed...
June 23, 2017: Journal of Liposome Research
https://www.readbyqxmd.com/read/28641443/dissecting-the-accountability-of-parameterized-and-parameter-free-single-hybrid-and-double-hybrid-functionals-for-photophysical-properties-of-tadf-based-oleds
#13
Mojtaba Alipour, Niloofar Karimi
Organic light emitting diodes (OLEDs) based on thermally activated delayed fluorescence (TADF) emitters are an attractive category of materials that have witnessed a booming development in recent years. In the present contribution, we scrutinize the accountability of parameterized and parameter-free single-hybrid (SH) and double-hybrid (DH) functionals through the two formalisms, full time-dependent density functional theory (TD-DFT) and Tamm-Dancoff approximation (TDA), for the estimation of photophysical properties like absorption energy, emission energy, zero-zero transition energy, and singlet-triplet energy splitting of TADF molecules...
June 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28640596/drug-target-kinetics-in-drug-discovery
#14
Peter J Tonge
The development of therapies for the treatment of neurological cancer faces a number of major challenges including the synthesis of small molecule agents that can penetrate the blood brain barrier (BBB). Given the likelihood that in many cases drug exposure will be lower in the CNS than in systemic circulation, it follows that strategies should be employed that can sustain target engagement at low drug concentration. Time dependent target occupancy is a function of both the drug and target concentration as well as the thermodynamic and kinetic parameters that describe the binding reaction coordinate, and sustained target occupancy can be achieved through structural modifications that increase target (re)binding and/or that decrease the rate of drug dissociation...
June 22, 2017: ACS Chemical Neuroscience
https://www.readbyqxmd.com/read/28640319/observational-constraints-on-particle-acidity-using-measurements-and-modelling-of-particles-and-gases
#15
J G Murphy, P K Gregoire, A G Tevlin, G R Wentworth, R A Ellis, M Z Markovic, T C VandenBoer
In many parts of the world, the implementation of air quality regulations has led to significant decreases in SO2 emissions with minimal impact on NH3 emissions. In Canada and the United States, the molar ratio of NH3 : SO2 emissions has increased dramatically between 1990 and 2014. In many regions of North America, this will lead the molar ratio of NHx : SO4, where NHx is the sum of particle phase NH4(+) and gas phase NH3, and SO4 is the sum of particle phase HSO4(-) and SO4(2-), to exceed 2. A thermodynamic model (E-AIM model II) is used to investigate the sensitivity of particle pH, and the gas-particle partitioning of NHx and inorganic nitrate, to the atmospheric NHx : SO4 ratio...
June 22, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28639563/the-role-of-apical-contractility-in-determining-cell-morphology-in-multilayered-epithelial-sheets-and-tubes
#16
Rui Zhen Tan, Tanny Lai, Keng-Hwee Chiam
A multilayered epithelium is made up of individual cells that are stratified in an orderly fashion, layer by layer. In such tissues, individual cells can adopt a wide range of shapes ranging from columnar to squamous. From histological images, we observe that, in flat epithelia such as the skin, the cells in the top layer are squamous while those in the middle and bottom layers are columnar, whereas in tubular epithelia, the cells in all layers are columnar. We develop a computational model to understand how individual cell shape is governed by the mechanical forces within multilayered flat and curved epithelia...
June 22, 2017: Physical Biology
https://www.readbyqxmd.com/read/28639558/exchange-interactions-in-transition-metal-oxides-the-role-of-oxygen-spin-polarization
#17
Remko Logemann, Alexander N Rudenko, Mikhail I Katsnelson, Andrei Kirilyuk
Magnetism of transition metal (TM) oxides is usually described in terms of the Heisenberg model, with orientation-independent interactions between the spins. However, the applicability of such a model is not fully justified for TM oxides because spin polarization of oxygen is usually ignored. In the conventional model based on the Anderson principle, oxygen effects are considered as a property of the TM ion and only TM interactions are relevant. Here, we perform a systematic comparison between two approaches for spin polarization on oxygen in typical TM oxides...
June 22, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28639201/enhancing-angiogenesis-in-mice-by-vegf-targeting-small-activating-rnas
#18
Tiia A Turunen, Seppo Ylä-Herttuala, Mikko P Turunen
The prevalence of cardiovascular diseases is steadily increasing, and it is the leading cause of death worldwide. Therefore, new treatments, such as gene therapy are needed. During the last decade, the role of small noncoding RNAs (ncRNAs) in the regulation of gene expression at the transcriptional level has been shown. Promoter-targeted small RNAs recruit histone-modifying enzymes and can either repress or induce target gene expression. As an example, we have targeted mouse VEGF-A promoter with small hairpin RNAs (shRNAs) and identified two shRNAs which either repressed or induced VEGF-A expression on messenger RNA and protein level in vitro, depending on the targeted location...
2017: Advances in Experimental Medicine and Biology
https://www.readbyqxmd.com/read/28638721/long-term-cost-of-spouses-informal-support-for-dependent-midlife-stroke-survivors
#19
Josefine Persson, Lars-Åke Levin, Lukas Holmegaard, Petra Redfors, Mikael Svensson, Katarina Jood, Christina Jern, Christian Blomstrand, Gunilla Forsberg-Wärleby
OBJECTIVES: Stroke is a major global disease that requires extensive care and support from society and relatives. The aim of this study was to identify and quantify the long-term informal support and to estimate the annual cost of informal support provided by spouses to their stroke surviving partner. METHOD: Data were based on the 7-year follow-up of the Sahlgrenska Academy Study on Ischemic Stroke. One-third of the spouses stated that they provided support to their stroke surviving partner...
June 2017: Brain and Behavior
https://www.readbyqxmd.com/read/28638442/computational-dynamic-approaches-for-temporal-omics-data-with-applications-to-systems-medicine
#20
REVIEW
Yulan Liang, Arpad Kelemen
Modeling and predicting biological dynamic systems and simultaneously estimating the kinetic structural and functional parameters are extremely important in systems and computational biology. This is key for understanding the complexity of the human health, drug response, disease susceptibility and pathogenesis for systems medicine. Temporal omics data used to measure the dynamic biological systems are essentials to discover complex biological interactions and clinical mechanism and causations. However, the delineation of the possible associations and causalities of genes, proteins, metabolites, cells and other biological entities from high throughput time course omics data is challenging for which conventional experimental techniques are not suited in the big omics era...
2017: BioData Mining
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