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D Benson James J Department of Mathematical Sciences, Northern Illinois University, DeKalb, IL, 60115, USA, - - 2015
Modeling plays a critical role in understanding the biophysical processes behind cryopreservation. It facilitates understanding of the biophysical and some of the biochemical mechanisms of damage during all phases of cryopreservation including CPA equilibration, cooling, and warming. Modeling also provides a tool for optimization of cryopreservation protocols and has yielded ...
Dezhi Zeng Z State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University , Chengdu, Sichuan 610500 , China - - 2014
The corrosion of oil country tubular goods (OCTG) gets more and more serious especially in the acidic environment. So, it is very important to develop a perfect anticorrosion technology for exploring sour oil and gas fields economically and safely. Analysis indicates that the bimetal-pipe (BP) which consists of the base ...
Salek S S SS Department of Biotechnology, Delft University of Technology, Julianalaan 67, 2628BC, Delft, The - - 2014
Due to its abundance, calcium carbonate (CaCO3 ) has high potentials as a source of alkalinity for biotechnological applications. The application of CaCO3 in biological systems as neutralizing agent is however limited due to potential difficulties in controlling the pH. The objective of the present study was to determine the ...
Lomas Michael W MW Bigelow Laboratory for Ocean Sciences, East Boothbay, ME - - 2014
We have a limited understanding of the consequences of variations in microbial biodiversity on ocean ecosystem functioning and global biogeochemical cycles. A core process is macronutrient uptake by microorganisms, as the uptake of nutrients controls ocean CO2 fixation rates in many regions. Here, we ask whether variations in ocean phytoplankton ...
Pipek J J Czech Technical University in Prague, Faculty of Nuclear Sciences and Physical Engineering, Břehová 7, 115 19 Prague 1, Czech - - 2014
This work presents a Monte Carlo model of Leksell Gamma Knife Perfexion as well as the main parameters of the dose distribution in the standard phantom obtained using this model. The model is developed in the Geant4 simulation toolkit in a modular way which enables its reuse in other Perfexion ...
Cavender Chapin E CE Department of Neurobiology, University of Alabama, Birmingham, 1719 6th Ave S, CIRC429, Birmingham, Alabama, 35294, United States, - - 2014
A clear consensus concerning the mechanisms of intracellular secretory vesicle trafficking in astrocytes is lacking in the physiological literature. A good characterization of vesicle trafficking that may assist researchers in achieving that goal is the trajectory angle, defined as the angle between the trajectory of a vesicle and a line ...
Thiel Christoph C Computational Systems Biology, Bayer Technology Services GmbH, Leverkusen, Germany; Institute of Applied Microbiology, RWTH Aachen, Aachen, - - 2014
Transfer of knowledge along the different phases of drug development is a fundamental process in pharmaceutical research. In particular, cross-species extrapolation between different laboratory animals and further on to first-in-human trials is challenging because of the uncertain comparability of physiological processes. Physiologically based pharmacokinetic (PBPK) modeling allows translation of mechanistic ...
Hanamoto Seiya S Research Center for Environmental Quality Management, Graduate School of Engineering, Kyoto University, 1-2 Yumihama, Otsu, Shiga 520-0811, Japan. - - 2014
To improve the risk assessment of pharmaceuticals, it is helpful to know how rapidly they are removed from river water. Direct photolysis by sunlight could be an important process, but so far few studies have attempted to compare modeled with actual losses in a river. Therefore, we quantified natural attenuation ...
Adom Felix - - 2014
Biomass-derived chemical products may offer reduced environmental impacts compared to their fossil-derived counterparts and could improve profit margins at biorefineries when co-produced with higher-volume, lower-profit margin biofuels. It is important to assess on a life-cycle basis the energy and environmental impacts of these bioproducts as compared to conventional, fossil-derived products. ...
Okonski Krzysztof - - 2014
This study investigates the distribution polybrominated diphenyl ethers (PBDEs), hexabromocyclododecane (HBCD) and a group of novel flame retardants (NFRs) on atmospheric aerosols. Two high volume cascade impactors were used to collect particulate fractions of ambient air over a one year period at urban and rural sites. The majority of FRs ...
Handa Koichi K School of Pharmacy, Kitasato University, Minato-ku, Tokyo, 108-8641, Japan; Research Laboratories, Toyama Chemical Company, Ltd., Toyama, 930-8508, - - 2014
The pregnane X receptor [PXR (NR1I2)] induces the expression of xenobiotic metabolic genes and transporter genes. In this study, we aimed to establish a computational method for quantifying the enzyme-inducing potencies of different compounds via their ability to activate PXR, for the application in drug discovery and development. To achieve ...
Mahieu E E Institute of Astrophysics and Geophysics, University of Liège, Liège 4000, - - 2014
The abundance of chlorine in the Earth's atmosphere increased considerably during the 1970s to 1990s, following large emissions of anthropogenic long-lived chlorine-containing source gases, notably the chlorofluorocarbons. The chemical inertness of chlorofluorocarbons allows their transport and mixing throughout the troposphere on a global scale, before they reach the stratosphere where ...
Voicu Victor V Romanian Academy, Medical Sciences Section , Calea Victoriei no. 125, Bucharest - 010071 , - - 2014
Introduction: The therapeutic outcome of oximes used as reactivators of phosphorylated human acetylcholinesterase (AChE) is influenced, among other factors, by their biological distribution, their in vivo ability to achieve the nucleophilic attack and their affinity for the anionic center of the intact/inhibited AChE. Areas covered: An in silico evaluation of ...
Baratian-Ghorghi Fatemeh F a Dept. of Civil Engineering , Auburn University , Auburn , AL 36849 , jalayer@auburn.edu , - - 2014
ABSTRACT Several previous studies, based upon wrong-way driving (WWD) crash history, have demonstrated that partial cloverleaf (parclo) interchanges are more susceptible to WWD movements than others. Currently, there is not a method available to predict WWD incidents and to prioritize parclo interchanges for implementing safety countermeasures for reducing WWD crashes. ...
Chalasani Rakesh - - 2014
Perception of sensory signals is strongly influenced by their context, both in space and time. In this paper, we propose a novel hierarchical model, called convolutional dynamic networks, that effectively utilizes this contextual information, while inferring the representations of the visual inputs. We build this model based on a predictive ...
Giang Wayne C W WC 1Department of Mechanical and Industrial Engineering,University of - - 2014
Introduction Timely transfer of patients among facilities within a regionalized critical-care system remains a large obstacle to effective patient care. For medical transport systems where dispatchers are responsible for planning these interfacility transfers, accurate estimates of interfacility transfer times play a large role in planning and resource-allocation decisions. However, the ...
Tripodi Antonino A a Centro di ricerca per il Trasporto e la Logistica , 'Sapienza' Università di Roma , via Eudossiana 18 - 00184 - Rome , - - 2014
In years to come, urban areas face the challenge of making transport sustainable in terms of environment and competitiveness. Cycling is a perfect transport means in urban areas. Cyclists have a high casualty rate and should be given special attention in road safety policy. Actions to promote cycling in cities ...
Talpur M Younis MY Department of Chemistry, Faculty of Science, Selcuk University, 42075 Konya, Turkey; National Centre of Excellence in Analytical Chemistry, University of Sindh, Jamshoro 76080, Pakistan; Government Muslim Science Degree College Hyderabad, Education and Literacy Department, Sindh, Pakistan. Electronic address: - - 2014
Single bounce attenuated total reflectance (SB-ATR) Fourier transform infrared (FTIR) spectroscopy in conjunction with chemometrics was used for accurate determination of free fatty acid (FFA), peroxide value (PV), iodine value (IV), conjugated diene (CD) and conjugated triene (CT) of cottonseed oil (CSO) during potato chips frying. Partial least square (PLS), ...
Kaznessis Yiannis N YN Department of Chemical Engineering and Materials Science University of Minnesota, Minneapolis, MN 55455, USA - - 2014
The discovery of antibiotics is one of the most important advances in the history of humankind. For eighty years human life expectancy and standards of living improved greatly thanks to antibiotics. But bacteria have been fighting back, developing resistance to our most potent molecules. New, alternative strategies must be explored ...
Yan Fangyong - - 2014
Materials Genome Approach (MGA) aims to accelerate development of new materials by incorporating computational and data-driven approaches to reduce the cost of identification of optimal structures for a given application. Here, we use the MGA to guide the synthesis of triazolium-based Ionic Liquids (ILs). Our approach involves an IL property-mapping ...
Snoke David D Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, PA - - 2014
Experiments on Bose-Einstein condensation (BEC) of excitons in the semiconductor Cu2O started over 30 years ago, as one of the first serious attempts at exciton BEC. Early claims were based on spectroscopic signatures and transport data which have since been reinterpreted, in large part because the Auger recombination process for ...
Baker John A JA School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK. - - 2014
Traditionally, electrostatic interactions are modelled using Ewald techniques, which provide a good approximation, but are poorly suited to GPU architectures. We use the GPU versions of the LAMMPS MD package to implement and assess the Wolf summation method. We compute transport and structural properties of pure carbon dioxide and mixtures ...
Jia Tao - - 2014
In a conventional P-median model, demanding points are likely assigned to the closest supplying facilities, but this method exhibits evident limitations in real cases. This paper proposed a modified P-median model in which exact and approximate strategies are used. The first strategy aims to enumerate all of the possible combinations ...
Martinčič R R a Laboratory of Chemometrics , National Institute of Chemistry , Ljubljana , - - 2014
Membrane transport proteins are essential for cellular uptake of numerous salts, nutrients and drugs. Bilitranslocase is a transporter, specific for water-soluble organic anions, and is the only known carrier of nucleotides and nucleotide-like compounds. Experimental data of bilitranslocase ligand specificity for 120 compounds were used to construct classification models using ...
Hyodo Susumu S Atmosphere and Ocean Research Institute, University of Tokyo - - 2014
For adaptation to high-salinity marine environments, cartilaginous fishes (sharks, skates, rays and chimaeras) adopt a unique urea-based osmoregulation strategy. Their kidneys reabsorb nearly all filtered urea from the primary urine, and this is an essential component of urea retention in their body fluid. Anatomical investigations have revealed the extraordinarily elaborate ...
Hernández-Ceballos M A MA European Commission, Joint Research Centre, Institute for Transuranium Elements, Nuclear Security Unit, Ispra, Varese, Italy, - - 2014
The impact of regional and local weather and of local topography on intradiurnal variations in airborne pollen levels was assessed by analysing bi-hourly holm oak (Quercus ilex subsp. ballota (Desf.) Samp.) pollen counts at two sampling stations located 40 km apart, in southwestern Spain (Cordoba city and El Cabril nature reserve) ...
Chowdhury Sandipan S Graduate Program in Biophysics and Department of Neuroscience, University of Wisconsin, Madison, WI 53705 Graduate Program in Biophysics and Department of Neuroscience, University of Wisconsin, Madison, WI - - 2014
Signaling proteins such as ion channels largely exist in two functional forms, corresponding to the active and resting states, connected by multiple intermediates. Multiparametric kinetic models based on sophisticated electrophysiological experiments have been devised to identify molecular interactions of these conformational transitions. However, this approach is arduous and is not ...
Ye Dong D Centre for BioNano Interactions, School of Chemistry and Chemical Biology, University College Dublin, Belfield, Dublin 4, Ireland. - - 2014
We report here a protocol to characterise and monitor the quality of in vitro human cellular barrier models using Transmission Electron Microscopy (TEM), which can be applied for transport assays, mechanistic studies and screening of drug/compound (including nanoparticle) penetration across such biological barriers. Data from two examples of biological barriers ...
Giussani Augusto A Department of Radiation and Health, BfS-Federal Office for Radiation Protection, Ingolstädter Landstr. 1, Oberschleißheim 85764, Germany - - 2014
Radiation doses delivered by incorporated radionuclides cannot be directly measured, and they are assessed by means of biokinetic and dosimetric models and computational phantoms. For emitters of short-range radiation like alpha-particles or Auger electrons, the doses at organ levels, as they are usually defined in internal dosimetry, are no longer ...
Planas Enric - - 2014
BackgroundUnderstanding the evolutionary history of morphologically cryptic species complexes is difficult, and made even more challenging when geographic distributions have been modified by human-mediated dispersal. This situation is common in the Mediterranean Basin where, aside from the environmental heterogeneity of the region, protracted human presence has obscured the biogeographic processes ...
Miller Michael J MJ Atmosphere and Ocean Research Institute, The University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba, 277-8564, - - 2014
The spawning areas of the Atlantic freshwater eels were discovered about a century ago by the Danish scientist Johannes Schmidt who after years of searching found newly hatched larvae of the European eel, Anguilla anguilla, and the American eel, Anguilla rostrata, in the southern Sargasso Sea. The discovery showed that ...
Atalay Selcuk - - 2014
Proton enhancement in an extended nanochannel is investigated by a continuum model consisting of 3D Poisson-Nernst Planck equations for the ionic mass transport of multiple ionic species with the consideration of surface chemistry on the nanochannel wall. The model is validated by the existing experimental data of the proton distribution ...
Aimoli C G CG Santos Basin Exploration and Production Operations Unit, Petróleo Brasileiro S.A., Av. Conselheiro Nébias 175, Santos, SP 11015-001, - - 2014
Transport properties of carbon dioxide and methane are predicted for temperatures between (273.15 and 573.15) K and pressures up to 800 MPa by molecular dynamics simulations. Viscosities and thermal conductivities were obtained through the Green-Kubo formalism, whereas the Einstein relation was used to provide self-diffusion coefficient estimates. The differences in ...
Chicheportiche Alexandre A Laboratoire Plasma et Conversion d'Energie, LAPLACE and UMR5213 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex, - - 2014
Momentum-transfer collision cross-sections and integral collision cross-sections for the collision-induced dissociation are calculated for collisions of ionized argon dimers with argon atoms using a nonadiabatic semiclassical method with the electronic Hamiltonian calculated on the fly via a diatomics-in-molecules semiempirical model as well as inverse-method modeling based on simple isotropic rigid-core ...
Watson Peter J PJ Medical and Biological Engineering Research Group, School of Engineering, University of Hull, Hull HU6 7RX, UK - - 2014
Multi-body dynamics is a powerful engineering tool which is becoming increasingly popular for the simulation and analysis of skull biomechanics. This paper presents the first application of multi-body dynamics to analyse the biomechanics of the rabbit skull. A model has been constructed through the combination of manual dissection and three-dimensional ...
Zhao X Y XY School of Physical Science and Technology, Inner Mongolia University, 235 West Street, 010021 Hohhot, Inner Mongolia, China; Inner Mongolia Vocational College of Chemical Engineering, Higher Vocational Technology Park, 010070 Hohhot, Inner Mongolia, - - 2014
Cytoplasmic dynein play an important role in transporting various intracellular cargos by coupling their ATP hydrolysis cycle with their conformational changes. Recent experimental results showed that the cytoplasmic dynein had a highly variable stepping pattern including "hand-over-hand", "inchworm" and "nonalternating-inchworm". Here, we developed a model to describe the coordinated stepping ...
Henson Michael A MA Department of Chemical Engineering, University of Massachusetts, Amherst, MA 01007, USA. - - 2014
Dynamic flux balance analysis (DFBA) is an extension of classical flux balance analysis that allows the dynamic effects of the extracellular environment on microbial metabolism to be predicted and optimised. Recently this computational framework has been extended to microbial communities for which the individual species are known and genome-scale metabolic ...
Ibarra-Cerdeña Carlos N CN Departamento de Ecología Humana, Centro de Investigación y de Estudios Avanzados del IPN (Cinvestav), Unidad Mérida, Mérida, Yucatán, - - 2014
The niche conservatism hypothesis states that related species diverge in niche characteristics at lower rates than expected, given their lineage divergence. Here we analyze whether niche conservatism is a common pattern among vector species (Hemiptera: Reduviidae: Triatominae) of Trypanosoma cruzi that inhabit North and Central America, a highly heterogeneous landmass ...
De Vos Dirk D Molecular Plant Physiology and Biotechnology, Department of Biology, University of Antwerp, Antwerp, - - 2014
In recent years there has been a strong development of computational approaches to mechanistically understand organ growth regulation in plants. In this study, simulation methods were used to explore which regulatory mechanisms can lead to realistic output at the cell and whole organ scale and which other possibilities must be ...
Traylor Steven J SJ Biologics Process Development, Bristol-Myers Squibb, Hopkinton 01748, MA, - - 2014
Equilibrium isotherm and kinetic mass transfer measurements are critical to mechanistic modeling of binding and elution behavior within a chromatographic column. However, traditional methods of measuring these parameters are impractically time- and labor-intensive. While advances in high-throughput robotic liquid handling systems have created time and labor-saving methods of performing kinetic ...
Khuseynov Dmitry D Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721, - - 2014
We present a model for laboratory-frame photoelectron angular distributions in direct photodetachment from (in principle) any molecular orbital using linearly polarized light. A transparent mathematical approach is used to generalize the Cooper-Zare central-potential model to anionic states of any mixed character. In the limit of atomic-anion photodetachment, the model reproduces ...
Goldberg Eli - - 2014
To reliably assess the fate of engineered nanoparticles (ENP) in soil, it is important to understand the performance of models employed to predict vertical ENP transport. We assess the ability of seven routinely employed particle transport models (PTMs) to simulate hyperexponential (HE), nonmonotonic (NM), linearly decreasing (LD), and monotonically increasing ...
Nable Jose V JV 1Department of Emergency Medicine,University of Maryland School of Medicine,Baltimore, - - 2014
Introduction Predicting the number of patient encounters and transports during mass gatherings can be challenging. The nature of these events necessitates that proper resources are available to meet the needs that arise. Several prediction models to assist event planners in forecasting medical utilization have been proposed in the literature. Hypothesis/Problem ...
Sun Yaping - - 2014
Finer grid representation is required for a more accurate description of mask patterns in inverse lithography techniques (ILT), thus resulting in large-size mask representation and heavy computational cost. To mitigate the computation problem caused by intensive convolutions in mask optimization, a new method called convolution using basis expansion (CBE) is ...
Salzo Saverio S DIMA, Università degli Studi di Genova, Via Dodecaneso 35, 16146 Genoa, Italy - - 2014
We present an algorithm for dictionary learning that is based on the alternating proximal algorithm studied by Attouch, Bolte, Redont, and Soubeyran (2010), coupled with a reliable and efficient dual algorithm for computation of the related proximity operators. This algorithm is suitable for a general dictionary learning model composed of ...
Tanis I I Univ. Savoie, LEPMI, F-73000 Chambéry, France. and CNRS, LEPMI, F-38000 Grenoble, France. tanis.ioannis@gmail.com - - 2014
Two homopolyimides and the corresponding block copolyimide, all based on the 4,4'-(hexafluoroisopropylidene)diphthalic dianhydride (6FDA), have been synthesized and fully atomistic models have been studied using molecular dynamics (MD) simulation. The respective diamines were 1,3-phenylenediamine (mPDA) and 2,3,5,6-tetramethyl-1,4-phenylenediamine (durene). These polyimides are potential candidates for gas separation applications. The synthesized polymers ...
Bosgra Sieto S TNO (Netherlands Organisation for Applied Scientific Research), Zeist, The Netherlands. Electronic address: - - 2014
In contrast to primary hepatocytes, estimating carrier-mediated hepatic disposition by using a panel of single transfected cell-lines provides direct information on the contribution of the individual transporters to the net disposition. The most direct way to correct for differences in transporter abundance between cell-lines and tissue is by using absolute ...
Fry Brendan C BC Department of Mathematics, Duke University, Durham, NC 27708-0320, - - 2014
We have developed a highly detailed mathematical model of oxygen transport in a cross section of the upper inner medulla of the rat kidney. The model is used to study the impact of the structured organization of nephrons and vessels revealed in anatomic studies, in which descending vasa recta are ...
Lacroix Rémy R 6TMIC Ingénieries, 4 rue Brindejonc des Moulinais, 31500 Toulouse, France. - - 2014
The theoretical bases for modelling the distribution of the electrostatic potential in microbial electrochemical systems are described. The secondary potential distribution (i.e. without mass transport limitation of the substrate) is shown to be sufficient to validly address microbial electrolysis cells (MECs). MECs are modelled with two different ionic conductivities of ...
Lampert D J DJ Department of Civil, Architectural, and Environmental Engineering, The University of Texas at Austin, 1 University Station C1786, Austin, TX 78712-0273, United - - 2014
A critical element in the application of passive sampling devices for estimating in situ the concentrations of contaminants in pore water of sediments is predicting the rate of uptake within the device. Herein, we demonstrate the relative importance of internal and external mass transport processes for sampling devices and show ...
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