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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 ...
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 ...
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 ...
Shaw Louise L School of Public Health and Community Medicine, University of New South Wales, Sydney, New South Wales, - - 2014
To determine the level of adherence by transport cyclists to road rules in traffic situations and their reasons for non-adherence. The Safer Cycling Study was a prospective cohort study of transport and recreational cyclists. Over 2000 cyclists were recruited between March and November 2011. 770 Transport cyclists aged 18 years and ...
Erdrich Philipp - - 2014
Cyanobacteria are increasingly recognized as promising cell factories for the production of renewable biofuels and chemical feedstocks from sunlight, CO2, and water. However, most biotechnological applications of these organisms are still characterized by low yields. Increasing the production performance of cyanobacteria remains therefore a crucial step. In this work we ...
Anderson Daniel M DM Applied and Computational Mathematics Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20878; Department of Mathematical Sciences, George Mason University, Fairfax, VA 22030. Electronic address: - - 2014
Mathematical modeling plays an enormously important role in understanding the behavior of cells, tissues, and organs undergoing cryopreservation. Uses of these models range from explanation of phenomena, exploration of potential theories of damage or success, development of equipment, and refinement of optimal cryopreservation/cryoablation strategies. Over the last half century there ...
Arias-Martorell Julia J Unitat d'Antropologia (Departament de Biologia Animal), Universitat de Barcelona, Av. Diagonal 643, 08028 Barcelona, Spain. Electronic address: - - 2014
Suspension plays a major adaptive role in shaping primate postcranial morphology, which therefore enables this positional behavior to be inferred in extinct taxa. The proximal humerus stands as a key region for inferring forelimb suspensory capabilities because its morphology can be effectively linked, from a functional viewpoint, to differences in ...
Xie Haijian H Institute of Hydrology and Water Resources Engineering, Zhejiang University, 310058, Hangzhou, China, - - 2014
An analytical model for volatile organic compounds (VOCs) transport through a composite liner consisting of a geomembrane (GM), a geosynthetic clay liner (GCL), and a soil liner (SL) was developed for the assessment of the performance of this triple liner system. Both advection through the defects of GM and diffusion ...
Fujimura Shigeto S Fukushima Agricultural Technology Centre, 116 Shimonakamichi, Takakura-Aza, Hiwada-machi, Koriyama, Fukushima 963-0531, Japan. Electronic address: - - 2014
After the accident at the Fukushima Dai-ichi Nuclear Power Plant owned by Tokyo Electric Power Company on 11 March 2011, potassium was applied to fields in the Tohoku and Kanto areas of Japan to reduce radiocesium uptake by crops. Despite the intense studies relating to the effect of potassium application ...
Holtz Lena-Maria LM Alfred-Wegener-Institut, Helmholtz-Zentrum für Polar- und Meeresforschung, Am Handelshafen 12, 27570 Bremerhaven, Germany. Electronic address: - - 2014
Coccolithophores play a crucial role in the marine carbon cycle and thus it is interesting to know how they will respond to climate change. After several decades of research the interplay between intracellular processes and the marine carbonate system is still not well understood. On the basis of experimental findings ...
Sohrabi Salman S Department of Mechanical Engineering, Sharif University of Technology, Tehran, - - 2014
The urine formation and excretion system have long been of interest for mathematicians and physiologists to elucidate the obscurities within the process happens in renal tissue. In this study, a novel three-dimensional approach is utilized for modeling the urine concentrating mechanism in rat renal outer medulla which is essentially focused ...
Krieg Brian J BJ University of Michigan, College of Pharmacy, Ann Arbor, Michigan, - - 2014
Development of an oral in vivo predictive dissolution medium for acid drugs with a pKa in the physiological range (e.g., Biopharmaceutics Classification System Class IIa) requires transport analysis of the complex in vivo CO2 /bicarbonate buffering system. In this report, we analyze this buffer system using hydrodynamically defined rotating disk ...
Andersson Martin P MP Department of Chemistry, Nano-Science Center, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen, - - 2014
We have predicted the free energy of hydration for 40 monovalent and multivalent cations and anions using density functional theory and the implicit solvent model COnductor like Screening MOdel for Real Solvents (COSMO-RS) at the Becke-Perdew (BP)/Triple zeta valence with polarization functions (TZVP) level. Agreement with experimental data for monovalent ...
de Tomas C C Department of Physics , Universitat Autònoma de Barcelona , Bellaterra, Catalonia 08193, - - 2014
The thermal conductivity of group-IV semiconductors (silicon, germanium, diamond and grey tin) with several isotopic compositions has been calculated from a kinetic-collective model. From this approach, significantly different to Callaway-like models in its physical interpretation, the thermal conductivity expression accounts for a transition from a kinetic (individual phonon transport) to a ...
V Suneel - - 2014
Deposition of tar balls (TBs) along the south Gujarat coast, situated on the west coast of India (WCI), is a common phenomenon during the southwest monsoon season. Several offshore oil fields exist off Mumbai-Gujarat coast, besides refineries along the coast. Hence, oil spills/leakages and, subsequently, formation of TBs can be ...
Fraterrigo Jennifer M JM Department of Natural Resources and Environmental Sciences, University of Illinois, Urbana, IL, 61801, - - 2014
A hierarchical view of niche relations reconciles the scale-dependent effects of abiotic and biotic processes on species distribution patterns and underlies most current approaches to distribution modeling. A key prediction of this framework is that the effects of biotic interactions will be averaged out at macroscales - an idea termed ...
Gonzalez-Miquel Maria - - 2014
Mixtures of ionic liquids (ILs) and molecular amines have been suggested for CO2 capture applications. The basic idea is to replace water, which volatilizes in the amine regeneration step and increases the parasitic energy load, with a non-volatile ionic liquid solvent. To fully understand the thermodynamics of these systems, here ...
Morgan M J MJ Max Planck Institute for Neurological Research, PO Box 41 06 29, Cologne 50866, Germany - - 2014
It has been suggested that numerosity is an elementary quality of perception, similar to colour. If so (and despite considerable investigation), its mechanism remains unknown. Here, we show that observers require on average a massive difference of approximately 40% to detect a change in the number of objects that vary ...
Gonzalez-Díaz Humberto - - 2014
The study of quantitative structure-property relationships (QSPR) is important to study complex networks of chemical reactions in drug synthesis or metabolism or drug-target interactions networks. A difficult but also possible goal is the prediction of drug absorption, distribution, metabolism, and excretion (ADME) process with a single QSPR model. For this ...
Sun Jing J Advanced Water Management Center, The University of Queensland, St. Lucia, 4072, Queensland, - - 2014
Simultaneous production of sulfide and methane by anaerobic sewer biofilms has recently been observed, suggesting that sulfate-reducing bacteria (SRB) and methanogenic archaea (MA), microorganisms known to compete for the same substrates, can coexist in this environment. This study investigated the community structures and activities of SRB and MA in anaerobic ...
Harnacke Daniela D Institute for Medical Psychology, Justus-Liebig-University, Giessen, - - 2014
Introduction: Brushing performance is an important factor for brushing success. Observing brushing performance might thus help to explain deficits in oral hygiene. However, it is unknown, how brushing behavior observed at one time relates to brushing capabilities observed at another time. We thus assessed the predictive validity of video observed ...
Verkouteren J R JR National Institute of Standards and Technology (NIST), 100 Bureau Drive, Mailstop 8371, Gaithersburg, MD 20899, USA. - - 2014
Commercial off-the-shelf (COTS) explosive trace detectors (ETDs) have become an integral part of security practices aimed at protecting the public, transportation, and facilities. Despite their widespread deployment, quality control procedures that can evaluate day-to-day instrument performance or differences among units of the same manufacture are in need for development. In ...
Wong Ides Y IY School of Population Health, The University of Queensland, Brisbane, Australia. Centre for Accident Research and Road Safety-Queensland (CARRS-Q), Queensland University of Technology, Brisbane, Australia. - - 2014
Self-regulation refers to the practice of using self-imposed restrictions to protect oneself from situations that are, or are perceived to be, unsafe. Within the driving context, self-regulation refers the compensatory practices that some older adults adopt to restrict their driving to situations in which they feel safe. However, the way ...
Dawson Alistair A Centre for Ecology & Hydrology, Bush Estate, Penicuik, Midlothian, UK EH26 0QB. Electronic address: - - 2014
This paper reviews current knowledge of photoperiod control of GnRH-1 secretion and proposes a model in which two processes act together to regulate GnRH1 secretion. Photo-induction controls GnRH1 secretion and is directly related to prevailing photoperiod. Photo-inhibition, a longer term process, acts through GnRH1 synthesis. It progresses each day during ...
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