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https://www.readbyqxmd.com/read/29331127/molecular-hydrodynamics-vortex-formation-and-sound-wave-propagation
#1
Kyeong Hwan Han, Changho Kim, Peter Talkner, George Em Karniadakis, Eok Kyun Lee
In the present study, quantitative feasibility tests of the hydrodynamic description of a two-dimensional fluid at the molecular level are performed, both with respect to length and time scales. Using high-resolution fluid velocity data obtained from extensive molecular dynamics simulations, we computed the transverse and longitudinal components of the velocity field by the Helmholtz decomposition and compared them with those obtained from the linearized Navier-Stokes (LNS) equations with time-dependent transport coefficients...
January 14, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29330055/tissue-geometry-may-govern-lung-branching-mode-selection
#2
Uduak Z George, Sharon R Lubkin
Lung branching morphogenesis proceeds in three stereotyped modes (domain, planar, and orthogonal branching). Much is known about the molecular players, including growth factors such as fibroblast growth factor 10 but it is unknown how these signals could actuate the different branching patterns. With the aim of identifying mechanisms that may determine the different branching modes, we developed a computational model of the epithelial lung bud and its surrounding mesenchyme. We studied transport of morphogens and localization of morphogen flux at lobe surfaces and lobe edges...
January 9, 2018: Journal of Theoretical Biology
https://www.readbyqxmd.com/read/29329015/modelling-of-road-traffic-fatalities-in-india
#3
Rahul Goel
Passenger modes in India include walking, cycling, buses, trains, intermediate public transport modes (IPT) such as three-wheeled auto rickshaws or tuk-tuks, motorised two-wheelers (2W) as well as cars. However, epidemiological studies of traffic crashes in India have been limited in their approach to account for the exposure of these road users. In 2011, for the first time, census in India reported travel distance and mode of travel for workers. A Poisson-lognormal mixture regression model is developed at the state level to explore the relationship of road deaths of all the road users with commute travel distance by different on-road modes...
January 9, 2018: Accident; Analysis and Prevention
https://www.readbyqxmd.com/read/29323672/quantitative-raman-microspectroscopy-for-water-permeability-parameters-at-a-droplet-interface-bilayer
#4
S Braziel, K Sullivan, S Lee
Using confocal Raman microspectroscopy, we derive parameters for bilayer water transport across an isolated nanoliter aqueous droplet pair. For a bilayer formed with two osmotically imbalanced and adherent nanoliter aqueous droplets in a surrounding oil solvent, a droplet interface bilayer (DIB), the water permeability coefficient across the lipid bilayer was determined from monitoring the Raman scattering from the C[triple bond, length as m-dash]N stretching mode of K3Fe(CN)6 as a measure of water uptake into the swelling droplet of a DIB pair...
January 11, 2018: Analyst
https://www.readbyqxmd.com/read/29323106/sequential-forward-and-reverse-transport-of-the-na-ca2-exchanger-generates-ca2-oscillations-within-mitochondria
#5
Krishna Samanta, Gary R Mirams, Anant B Parekh
Mitochondrial Ca2+ homoeostasis regulates aerobic metabolism and cell survival. Ca2+ flux into mitochondria is mediated by the mitochondrial calcium uniporter (MCU) channel whereas Ca2+ export is often through an electrogenic Na+-Ca2+ exchanger. Here, we report remarkable functional versatility in mitochondrial Na+-Ca2+ exchange under conditions where mitochondria are depolarised. Following physiological stimulation of cell-surface receptors, mitochondrial Na+-Ca2+ exchange initially operates in reverse mode, transporting cytosolic Ca2+ into the matrix...
January 11, 2018: Nature Communications
https://www.readbyqxmd.com/read/29318719/crystal-structures-of-mglb-2-tp0684-a-topologically-variant-d-glucose-binding-protein-from-treponema-pallidum-reveal-a-ligand-induced-conformational-change
#6
Chad A Brautigam, Ranjit K Deka, Wei Z Liu, Michael V Norgard
Previously, we determined the crystal structure of apo-TpMglB-2, a D-glucose-binding component of a putative ABC transporter from the syphilis spirochete Treponema pallidum. The protein had an unusual topology for this class of proteins, raising the question of whether the D-glucose-binding mode would be different in TpMglB-2. Here, we present the crystal structures of a variant of TpMglB-2 with and without D-glucose bound. The structures demonstrate that, despite its aberrant topology, the protein undergoes conformational changes and binds D-glucose similarly to other Mgl-type proteins, likely facilitating D-glucose uptake in T...
January 10, 2018: Protein Science: a Publication of the Protein Society
https://www.readbyqxmd.com/read/29318469/numerical-simulation-of-ion-transport-in-a-nano-electrospray-ion-source-at-atmospheric-pressure
#7
Wei Wang, Steve Bajic, Benzi John, David R Emerson
Understanding ion transport properties from the ion source to the mass spectrometer (MS) is essential for optimizing device performance. Numerical simulation helps in understanding of ion transport properties and, furthermore, facilitates instrument design. In contrast to previously reported numerical studies, ion transport simulations in a continuous injection mode whilst considering realistic space-charge effects have been carried out. The flow field was solved using Reynolds-averaged Navier-Stokes (RANS) equations, and a particle-in-cell (PIC) method was applied to solve a time-dependent electric field with local charge density...
January 9, 2018: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/29317370/3d-printed-gelatin-scaffolds-of-differing-pore-geometry-modulate-hepatocyte-function-and-gene-expression
#8
Phillip L Lewis, Richard M Green, Ramille N Shah
Three dimensional (3D) printing is highly amenable to the fabrication of tissue-engineered organs of a repetitive microstructure such as the liver. The creation of uniform and geometrically repetitive tissue scaffolds can also allow for the control over cellular aggregation and nutrient diffusion. However, the effect of differing geometries, while controlling for pore size, has yet to be investigated in the context of hepatocyte function. In this study, we show the ability to precisely control pore geometry of 3D-printed gelatin scaffolds...
January 6, 2018: Acta Biomaterialia
https://www.readbyqxmd.com/read/29316488/evaluating-the-impact-of-mobike-on-automobile-involved-bicycle-crashes-at-the-road-network-level
#9
Ye Li, Lu Xing, Wei Wang, Mingzhang Liang, Hao Wang
As a booming system, free-floating bicycle-sharing (denoted as Mobike) attracts a large number of users due to the convenient utilization procedure. However, it brings about a rapid increase of bicycle volume on roadways, resulting in safety problems especially on road segments shared by automobiles and bikes. This study aimed to evaluate impacts of Mobike on automobile-involved bicycle crashes on shared roadways at a macro level, the network level. Relation between traffic volumes and crashes was first established...
January 6, 2018: Accident; Analysis and Prevention
https://www.readbyqxmd.com/read/29314295/structure-packing-property-correlation-of-self-sorted-vs-interdigitated-assembly-in-ttf-tcnq-based-charge-transport-materials
#10
M A Niyas, Remya Ramakrishnan, Vishnu Vijay, Mahesh Hariharan
Among the various donor-acceptor (D-A) charge transfer cocrystals investigated in the past few decades, tetrathiafulvalene-tetracyanoquinodimethane (F.Q, popularly known as TTF.TCNQ) based cocrystals have fascinated materials chemists owing to its packing and exceptional properties. Here, crystallographic information files of eighteen F.Q based cocrystals were extracted from Cambridge Structural Database and classified into Class 1 (D on D and A on A segregated stacks; F.Q, F1.Q - F6.Q and F.Q1), Class 2 (-A-D-A-D-A-D- mixed stacks; F6a...
January 3, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29306202/mineralization-of-organic-pollutants-by-anodic-oxidation-using-reactive-electrochemical-membrane-synthesized-from-carbothermal-reduction-of-tio2
#11
Clément Trellu, Clémence Coetsier, Jean-Christophe Rouch, Roseline Esmilaire, Matthieu Rivallin, Marc Cretin, Christel Causserand
Reactive Electrochemical Membrane (REM) prepared from carbothermal reduction of TiO2 is used for the mineralization of biorefractory pollutants during filtration operation. The mixture of Ti4O7 and Ti5O9 Magnéli phases ensures the high reactivity of the membrane for organic compound oxidation through •OH mediated oxidation and direct electron transfer. In cross-flow filtration mode, convection-enhanced mass transport of pollutants can be achieved from the high membrane permeability (3300 LMH bar-1). Mineralization efficiency of oxalic acid, paracetamol and phenol was assessed as regards to current density, transmembrane pressure and feed concentration...
December 28, 2017: Water Research
https://www.readbyqxmd.com/read/29306164/long-term-observations-of-the-background-aerosol-at-cabauw-the-netherlands
#12
D Mamali, J Mikkilä, B Henzing, R Spoor, M Ehn, T Petäjä, H Russchenberg, G Biskos
Long-term measurements of PM2.5 mass concentrations and aerosol particle size distributions from 2008 to 2015, as well as hygroscopicity measurements conducted over one year (2008-2009) at Cabauw, The Netherlands, are compiled here in order to provide a comprehensive dataset for understanding the trends and annual variabilities of the atmospheric aerosol in the region. PM2.5 concentrations have a mean value of 14.4μgm-3 with standard deviation 2.1μgm-3, and exhibit an overall decreasing trend of -0.74μgm-3year-1...
January 3, 2018: Science of the Total Environment
https://www.readbyqxmd.com/read/29301312/mixed-matrix-membranes-of-boron-icosahedron-and-polymers-of-intrinsic-microporosity-pim-1-for-gas-separation
#13
Muntazim Munir Khan, Sergey Shishatskiy, Volkan Filiz
This work reports on the preparation and gas transport performance of mixed matrix membranes (MMMs) based on the polymer of intrinsic microporosity (PIM-1) and potassium dodecahydrododecaborate (K₂B12H12) as inorganic particles (IPs). The effect of IP loading on the gas separation performance of these MMMs was investigated by varying the IP content (2.5, 5, 10 and 20 wt %) in a PIM-1 polymer matrix. The derived MMMs were characterized by scanning electron microscopy (SEM), thermogravimetric analysis (TGA), single gas permeation tests and sorption measurement...
January 2, 2018: Membranes
https://www.readbyqxmd.com/read/29301197/a-novel-segment-based-approach-for-improving-classification-performance-of-transport-mode-detection
#14
M Amac Guvensan, Burak Dusun, Baris Can, H Irem Turkmen
Transportation planning and solutions have an enormous impact on city life. To minimize the transport duration, urban planners should understand and elaborate the mobility of a city. Thus, researchers look toward monitoring people's daily activities including transportation types and duration by taking advantage of individual's smartphones. This paper introduces a novel segment-based transport mode detection architecture in order to improve the results of traditional classification algorithms in the literature...
December 30, 2017: Sensors
https://www.readbyqxmd.com/read/29300091/what-contributes-to-snris-dual-targeting-mechanism-the-key-role-of-tm6-domain-in-hsert-and-hnet-revealed-by-molecular-dynamics-simulation
#15
Weiwei Xue, Fengyuan Yang, Panpan Wang, Guoxun Zheng, Yuzong Chen, Xiaojun Yao, Feng Zhu
Dual inhibition of serotonin and norepinephrine transporters (hSERT and hNET) gives greatly improved efficacy and tolerability for treating major depressive disorder (MDD) comparing with selective reuptake inhibitors. Pioneer studies provided valuable information of structure, function, and pharmacology of drugs dual-targeting hSERT and hNET (SNRIs), and the differential binding mechanism between SNRIs and selective inhibitors of 5-HT (SSRIs) / NE (sNRIs) to their corresponding target was expected to be able to facilitate the discovery of privileged drug-like scaffold with improved efficacy...
January 4, 2018: ACS Chemical Neuroscience
https://www.readbyqxmd.com/read/29298417/brain-shuttle-antibody-for-alzheimer-s-disease-with-attenuated-peripheral-effector-function-due-to-an-inverted-binding-mode
#16
Felix Weber, Bernd Bohrmann, Jens Niewoehner, Jens A A Fischer, Petra Rueger, Georg Tiefenthaler, Joerg Moelleken, Alexander Bujotzek, Kevin Brady, Thomas Singer, Martin Ebeling, Antonio Iglesias, Per-Ola Freskgård
Receptors show promise for the transport of monoclonal antibodies (mAbs) across the blood-brain barrier. However, safety liabilities associated with peripheral receptor binding and Fc effector function have been reported. We present the Brain Shuttle-mAb (BS-mAb) technology, and we investigate the role of Fc effector function in vitro and in an Fcγ receptor (FcγR)-humanized mouse model. Strong first infusion reactions (FIRs) were observed for a conventional mAb against transferrin receptor (TfR) with a wild-type immunoglobulin G1 (IgG1) Fc...
January 2, 2018: Cell Reports
https://www.readbyqxmd.com/read/29295928/cargo-navigation-across-3d-microtubule-intersections
#17
Jared P Bergman, Matthew J Bovyn, Florence F Doval, Abhimanyu Sharma, Manasa V Gudheti, Steven P Gross, Jun F Allard, Michael D Vershinin
The eukaryotic cell's microtubule cytoskeleton is a complex 3D filament network. Microtubules cross at a wide variety of separation distances and angles. Prior studies in vivo and in vitro suggest that cargo transport is affected by intersection geometry. However, geometric complexity is not yet widely appreciated as a regulatory factor in its own right, and mechanisms that underlie this mode of regulation are not well understood. We have used our recently reported 3D microtubule manipulation system to build filament crossings de novo in a purified in vitro environment and used them to assay kinesin-1-driven model cargo navigation...
January 2, 2018: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/29295861/splunc1-is-an-allosteric-modulator-of-the-epithelial-sodium-channel
#18
Christine Seulki Kim, Saira Ahmad, Tongde Wu, William G Walton, Matthew R Redinbo, Robert Tarran
Cystic fibrosis (CF) is a common genetic disease with significantly increased mortality. CF airways exhibit ion transport abnormalities, including hyperactivity of the epithelial Na+ channel (ENaC). Short-palate lung and nasal epithelial clone 1 (SPLUNC1) is a multifunctional innate defense protein that is secreted into the airway lumen. We have previously demonstrated that SPLUNC1 binds to and inhibits ENaC to maintain fluid homeostasis in airway epithelia and that this process fails in CF airways. Despite this, how SPLUNC1 actually regulates ENaC is unknown...
January 2, 2018: FASEB Journal: Official Publication of the Federation of American Societies for Experimental Biology
https://www.readbyqxmd.com/read/29286805/interplay-of-chiral-and-helical-states-in-a-quantum-spin-hall-insulator-lateral-junction
#19
M R Calvo, F de Juan, R Ilan, E J Fox, A J Bestwick, M Mühlbauer, J Wang, C Ames, P Leubner, C Brüne, S C Zhang, H Buhmann, L W Molenkamp, D Goldhaber-Gordon
We study the electronic transport across an electrostatically gated lateral junction in a HgTe quantum well, a canonical 2D topological insulator, with and without an applied magnetic field. We control the carrier density inside and outside a junction region independently and hence tune the number and nature of 1D edge modes propagating in each of those regions. Outside the bulk gap, the magnetic field drives the system to the quantum Hall regime, and chiral states propagate at the edge. In this regime, we observe fractional plateaus that reflect the equilibration between 1D chiral modes across the junction...
December 1, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/29286774/cavity-enhanced-transport-of-charge
#20
David Hagenmüller, Johannes Schachenmayer, Stefan Schütz, Claudiu Genes, Guido Pupillo
We theoretically investigate charge transport through electronic bands of a mesoscopic one-dimensional system, where interband transitions are coupled to a confined cavity mode, initially prepared close to its vacuum. This coupling leads to light-matter hybridization where the dressed fermionic bands interact via absorption and emission of dressed cavity photons. Using a self-consistent nonequilibrium Green's function method, we compute electronic transmissions and cavity photon spectra and demonstrate how light-matter coupling can lead to an enhancement of charge conductivity in the steady state...
December 1, 2017: Physical Review Letters
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