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Rayne Sierra S a Chemologica Research , Mortlach , Saskatchewan , - - 2014
The air-water partition coefficient (Kaw) of perfluoro-2-methyl-3-pentanone (PFMP) was estimated using the G4MP2/G4 levels of theory and the SMD solvation model. A suite of 31 fluorinated compounds was employed to calibrate the theoretical method. Excellent agreement between experimental and directly calculated Kaw values was obtained for the calibration compounds. The ...
Murcia M D - - 2014
A continuous tank reactor was used to remove 4-chlorophenol from aqueous solutions, using immobilized soybean peroxidase and hydrogen peroxide. The influence of operational variables (enzyme and substrate concentrations and spatial time) on the removal efficiency was studied. By using the kinetic law and the intrinsic kinetic parameters obtained in a ...
Huang Xiaohui - - 2014
Kmeans-type clustering aims at partitioning a data set into clusters such that the objects in a cluster are compact and the objects in different clusters are well separated. However, most kmeans-type clustering algorithms rely on only intracluster compactness while overlooking intercluster separation. In this paper, a series of new clustering ...
Fountain Augustus W AW Research and Technology Directorate, Edgewood Chemical Biological Center, Aberdeen Proving Ground, Aberdeen, Md 21010-5424 - - 2014
In 2010, the U.S. Army initiated a program through the Edgewood Chemical Biological Center to identify viable spectroscopic signatures of explosives and initiate environmental persistence, fate, and transport studies for trace residues. These studies were ultimately designed to integrate these signatures into algorithms and experimentally evaluate sensor performance for explosives ...
Jarrett Angela M AM Department of Mathematics, Florida State University, 1017 Academic Way, Tallahassee, FL , 32306, USA, - - 2014
Modeling host/pathogen interactions provides insight into immune defects that allow bacteria to overwhelm the host, mechanisms that allow vaccine strategies to be successful, and illusive interactions between immune components that govern the immune response to a challenge. However, even simplified models require a fairly high dimensional parameter space to be ...
Donihue Colin M CM School of Forestry and Environmental Studies, Greeley Laboratory, Yale University, 370 Prospect St., New Haven, CT, 06511, - - 2014
Urban ecologists have demonstrated that cities are functioning ecosystems. It follows then that species living in these contexts should participate in and experience the same suite of biological processes, including evolution, that have occupied scientists for centuries in more "natural" contexts. In fact, urban ecosystems with myriad novel contexts, pressures, ...
Ru Yuanbin Y Department of Surgery, School of Medicine, University of Colorado Denver, Aurora, CO 80045, - - 2014
microRNAs (miRNAs) regulate expression by promoting degradation or repressing translation of target transcripts. miRNA target sites have been catalogued in databases based on experimental validation and computational prediction using various algorithms. Several online resources provide collections of multiple databases but need to be imported into other software, such as R, ...
Bloom Jesse D JD Division of Basic Sciences and Computational Biology Program, Fred Hutchinson Cancer Research Center, Seattle, WA 98109, USA - - 2014
Phylogenetic analyses of molecular data require a quantitative model for how sequences evolve. Traditionally, the details of the site-specific selection that governs sequence evolution are not known a priori, making it challenging to create evolutionary models that adequately capture the heterogeneity of selection at different sites. However, recent advances in ...
Chen Xueming - - 2014
Nitrogen removal by using the synergy of denitrifying anaerobic methane oxidation (DAMO) and anaerobic ammonium oxidation (Anammox) microorganisms in a membrane biofilm reactor (MBfR) has previously been demonstrated experimentally. In this work, a mathematical model is developed to describe the simultaneous anaerobic methane and ammonium oxidation by DAMO and Anammox ...
Van Speybroeck Veronique V Center for Molecular Modeling, Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium. - - 2014
To optimally design next generation catalysts a thorough understanding of the chemical phenomena at the molecular scale is a prerequisite. Apart from qualitative knowledge on the reaction mechanism, it is also essential to be able to predict accurate rate constants. Molecular modeling has become a ubiquitous tool within the field ...
Nallamilli Trivikram Reddy - - 2014
Colloidal particles irreversibly adsorb at fluid-fluid interfaces stabilizing what are commonly called "Pickering" emulsions and foams. A simple geometrical model namely the limited coalescence model was earlier proposed to estimate droplet sizes in emulsions. This model assumes that all the particles are effective in stabilization. The model predicts that the ...
Kaptein Maurits M Department of Methodology and Statistics, Tilburg University, Archipelstraat 13, 6524LK, Nijmegen, The Netherlands, - - 2014
In this article, we consider a sequential sampling scheme for efficient estimation of the difference between the means of two independent treatments when the population variances are unequal across groups. The sampling scheme proposed is based on a solution to bandit problems called Thompson sampling. While this approach is most ...
Graham Jeffrey K JK Department of Biology, Carleton University, 1125 Colonel By Drive, Ottawa, Ontario, Canada K1S - - 2014
All organisms are faced with environmental uncertainty. Bet-hedging theory expects unpredictable selection to result in the evolution of traits that maximize the geometric-mean fitness even though such traits appear to be detrimental over the shorter term. Despite the centrality of fitness measures to evolutionary analysis, no direct test of the ...
Tabbaa Omar P OP Department of Physics, The Ohio State University, 191 West Woodruff Avenue, Columbus, OH 43210-1117 - - 2014
We investigate cellular response to extracellular signals by using information theory techniques motivated by recent experiments. We present results for the steady state of the following gene regulatory models found in both prokaryotic and eukaryotic cells: a linear transcription-translation model and a positive or negative auto-regulatory model. We calculate both ...
Rukat Tammo T Department of Physics and Astronomy, University of British Columbia, Vancouver, Canada; Department of Physics, Humboldt University, Berlin, - - 2014
To establish the experimental factors that dominate the uncertainty of hemodynamic parameters in commonly used pharmacokinetic models. By fitting simulation results from a multiregion tissue exchange model (Multiple path, Multiple tracer, Indicator Dilution, 4 region), the precision and accuracy of hemodynamic parameters in dynamic contrast-enhanced MRI with four tracer kinetic ...
Shelley David A - - 2014
This work expands upon a previously developed exercise dynamic physiology model (DPM) with the addition of an anatomic pulmonary system in order to quantify the impact of lung damage on oxygen transport and physical performance decrement. A pulmonary model is derived with an anatomic structure based on morphometric measurements, accounting ...
Zuckerman Jonathan E JE Chemical Engineering, California Institute of Technology, Pasadena, CA - - 2014
Nanoparticle-based experimental therapeutics are currently being investigated in numerous human clinical trials. CALAA-01 is a targeted, polymer-based nanoparticle containing small interfering RNA (siRNA) and, to our knowledge, was the first RNA interference (RNAi)-based, experimental therapeutic to be administered to cancer patients. Here, we report the results from the initial phase ...
Sloman Steven A SA Department of Cognitive, Linguistic, and Psychological Sciences, Brown University, Providence, RI 02912; email: - - 2014
Causal knowledge plays a crucial role in human thought, but the nature of causal representation and inference remains a puzzle. Can human causal inference be captured by relations of probabilistic dependency, or does it draw on richer forms of representation? This article explores this question by reviewing research in reasoning, ...
Watanabe Miho M Department of Surgery, Children's Hospital of Philadelphia, Philadelphia, Pa., - - 2014
Myelomeningocele (MMC), the most severe form of spina bifida, is a common and devastating malformation. Over two decades of experimental work in animal models have led to the development and clinical application of open fetal surgery for the repair of the MMC defect. This approach offers improved neurofunctional outcomes and ...
Peng Weijun W Institute of Integrated Medicine, Xiangya Hospital, Central South University, Changsha, Hunan Province, - - 2014
Object Erythropoietin (EPO) shows promise as a neuroprotective agent in animal models of traumatic brain injury (TBI). However, clinical trials of the efficacy of EPO treatment in patients with TBI yield conflicting results. The authors conducted a systematic review and meta-analysis to assess the effect of EPO in experimental animal ...
Latif Ahm Mahbub AM Institute of Statistical Research and Training (ISRT), University of Dhaka, Dhaka, - - 2014
Transform-both-sides nonlinear models have proved useful in many experimental applications including those in pharmaceutical sciences and biochemistry. The maximum likelihood method is commonly used to fit transform-both-sides nonlinear models, where the regression and transformation parameters are estimated simultaneously. In this paper, an analysis of variance-based method is described in detail ...
Grandjean Thomas R B TR School of Engineering, University of Warwick , Coventry , UK - - 2014
Abstract 1. To investigate the non-linear kinetics of in vitro hepatocyte uptake across species, the OATP substrate Pitavastatin was used as a probe. 2. Experiments were conducted at AstraZeneca (Alderley Park, Macclesfield) using freshly isolated rat, dog and human hepatocytes, utilising the "oil spin" methodology described by Hassen et al. (1996). Very ...
Extrand C W CW Entegris, Inc. , 101 Peavey Road, Chaska, Minnesota 55318, United - - 2014
Much of the modeling done on repellency and super hydrophobicity has focused on surfaces with rectilinear geometries, but their wetting behavior is simpler and can be quite different from that of repellent surfaces with curved features. In this study, we model the contact angles and sliding angles exhibited by the ...
Sison-Mangus Marilou P MP Zoological Institute, University of Basel, Basel, - - 2014
Microbiota have diverse roles in the functioning of their hosts; experiments using model organisms have enabled investigations into these functions. In the model crustacean Daphnia, little knowledge exists about the effect of microbiota on host well being. We assessed the effect of microbiota on Daphnia magna by experimentally depriving animals ...
Purevsuren Tserenchimed T a Department of Mechanical Engineering , Kyung Hee University , Yongin , South - - 2014
This study was performed to evaluate a dynamic multibody model developed to characterize the influence of tibial tuberosity realignment procedures on patellofemoral motion and loading. Computational models were created to represent four knees previously tested at 40°, 60°, and 80° of flexion with the tibial tuberosity in a lateral, medial ...
Mariotti Erika E Division of Imaging Sciences and Biomedical Engineering, St. Thomas' Hospital, King's College London, London, United - - 2014
To assess the feasibility of using a hybrid Maximum-Entropy/Nonlinear Least Squares (MEM/NLS) method for analyzing the kinetics of hyperpolarized dynamic data with minimum a priori knowledge. A continuous distribution of rates obtained through the Laplace inversion of the data is used as a constraint on the NLS fitting to derive ...
Lam Wilfred W WW Centre for Functional MRI of the Brain, University of Oxford, Oxford, - - 2014
In the brain, there is growing interest in using the temporal diffusion spectrum to characterize axonal geometry in white matter because of the potential to be more sensitive to small pores compared to conventional time-dependent diffusion. However, analytical expressions for the diffusion spectrum of particles have only been derived for ...
Liu Qiang Q Institute of Solid Mechanics, Beihang University, Beijing, 100191, China. - - 2014
A new two-level model is proposed to investigate the relationship between the mechanical properties and microstructure of silica aerogels. This two-level model consists of the particle-particle interaction model and the cluster structure model. The particle-particle interaction model is proposed to describe interactions between primary particles, in which the polymerization reaction ...
Kapaev Roman Rimovich - - 2014
Carbohydrates play an immense role in different aspects of life. NMR spectroscopy is a major and the most powerful tool for investigation of these compounds. Nowadays, progress in computational procedures has opened up novel opportunities, which gave an impulse to develop new instruments intended to make the research simpler and ...
Rivas-López María J MJ Department of Statistics, University of Salamanca, Plaza de los Caídos, 37008-Salamanca, - - 2014
Proportional Hazards models have been widely used to analyze survival data. In many cases survival data do not verify the assumption of proportional hazards. An alternative to the PH models with more relaxed conditions are Accelerated Failure Time models. These models are fairly commonly used in the field of manufacturing, ...
Merrick Jason R W - - 2014
Counterterrorism decisions have been an intense area of research in recent years. Both decision analysis and game theory have been used to model such decisions, and more recently approaches have been developed that combine the techniques of the two disciplines. However, each of these approaches assumes that the attacker is ...
Green Jeremy B A JB Department of Craniofacial Development & Stem Cell Biology Guy's Tower, Floor 27 London SE1 9RT United Kingdom. Electronic address: - - 2014
In this review we consider Reaction-Diffusion as the archetype of a model in developmental biology. We consider its history in relation to experimental work since it was first proposed in 1952 by Turing and revived in the 1970s by Meinhardt. We then discuss the most recent examples of experiments that ...
Wang Gangsheng G 1] Environmental Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA [2] Climate Change Science Institute, Oak Ridge National Laboratory, Oak Ridge, TN, - - 2014
Climate feedbacks from soils can result from environmental change followed by response of plant and microbial communities, and/or associated changes in nutrient cycling. Explicit consideration of microbial life-history traits and functions may be necessary to predict climate feedbacks owing to changes in the physiology and community composition of microbes and ...
Buchmann Amy A Department of Applied and Computational Mathematics and Statistics, University of Notre Dame, Notre Dame, IN 46556, - - 2014
The question of how the physical dimensions of animal organs are specified has long fascinated both experimentalists and computational scientists working in the field of developmental biology. Research over the last few decades has identified many of the genes and signaling pathways involved in organizing the emergent multi-scale features of ...
Sun Zhenan - - 2014
Ordinal measures have been demonstrated as an effective feature representation model for iris and palmprint recognition. However, ordinal measures are a general concept of image analysis and numerous variants with different parameter settings such as location, scale, orientation etc. can be derived to construct a huge feature space. This paper ...
Su Ming-Der MD Department of Applied Chemistry, National Chiayi University, Chiayi 60004 (Taiwan); Department of Medicinal and Applied Chemistry, Kaohsiung Medical University, Kaohsiung 80708 (Taiwan). - - 2014
The mechanisms of photochemical isomerization reactions are investigated theoretically by using a model system of 1,2,4- oxadiazole with the CAS(14,9)/6-311G(d) and MP2-CAS-(14,9)/ 6-311++G(3df,3pd)//CAS(14,9)/6-311G(d) methods. Three reaction pathways are examined, including 1) the direct mechanism, 2) the ring contraction-ring expansion mechanism, and 3) the internal cyclization-isomerization mechanism, which lead to two types of photoisomers. ...
Padmanabhan P P School of Chemical and Biomolecular Engineering, Cornell University, Ithaca, NY 14853, USA. - - 2014
Self-consistent field theory is used to model the self-assembly of a symmetric PMMA-block-PHEMA in the presence of two solvents, methanol and tetrahydrofuran (THF). The model predictions are compared to our experimental results of solvent-vapour annealing of thin polymer films, where the sequence of cylinder to gyroid (or micelles) to lamellar ...
Idrissi Abdenacer A Laboratoire de Spectrochimie Infrarouge et Raman (UMR CNRS 8516), University of Lille Nord de France , 59655 Villeneuve d'Ascq Cedex, - - 2014
The Helmholtz free energy, energy, and entropy of mixing of eight different models of dimethyl sulfoxide (DMSO) with four widely used water models are calculated at 298 K over the entire composition range by means of thermodynamic integration along a suitably chosen thermodynamic path, and compared with experimental data. All ...
Gotz Lou L Proteome Informatics Group, Swiss Institute of Bioinformatics, Geneva, - - 2014
Sequencing oligosaccharides by exoglycosidases, either sequentially or in an array format, is a powerful tool to unambiguously determine the structure of complex N- and O-link glycans. Here, we introduce GlycoDigest a tool that simulates exoglycosidase digestion, based on controlled rules acquired from expert knowledge and experimental evidence available in GlycoBase. ...
Branciard Cyril C School of Mathematics and Physics, The University of Queensland, Brisbane, QLD 4072, Australia and Institut Néel, CNRS and Université Grenoble Alpes, 38042 Grenoble Cedex 9, - - 2014
We study the extent to which ψ-epistemic models for quantum measurement statistics-models where the quantum state does not have a real, ontic status-can explain the indistinguishability of nonorthogonal quantum states. This is done by comparing the overlap of any two quantum states with the overlap of the corresponding classical probability ...
Su Ming-Der MD Department of Applied Chemistry, National Chiayi University, Chiayi 60004, Taiwan. - - 2014
The mechanisms for photochemical isomerization reactions are studied theoretically using three model systems: 3-methylisothiazole, 4-methylisothiazole and 5-methylisothiazole. The CASSCF (ten-electron/seven-orbital active space) and MP2-CAS methods are used with the 6-311G(d) and 6-311++G(3df,3pd) basis sets, respectively. Three mechanisms, the internal cyclization-isomerization route (path A), the ring contraction-ring expansion route (path B) ...
Hengenius J B JB Weldon School of Biomedical Engineering, Purdue University. 206 S. Martin Jischke Drive West Lafayette, IN - - 2014
Mathematical modeling of developmental signaling networks has played an increasingly important role in the identification of regulatory mechanisms by providing a sandbox for hypothesis testing and experiment design. Whether these models consist of an equation with a few parameters or dozens of equations with hundreds of parameters, a prerequisite to ...
Tepole Adrián Buganza AB Department of Mechanical Engineering, Stanford University, Stanford, CA 94305, - - 2014
Skin is our interface with the outside world. In its natural environment, it displays unique mechanical characteristics such as prestretch and growth. While there is a general agreement on the physiological importance of these features, they remain poorly characterized, mainly because they are difficult to access with standard laboratory techniques. ...
Queirós Ana M AM Plymouth Marine Laboratory, PL1 3DH, Plymouth, - - 2014
Understanding long-term, ecosystem-level impacts of climate change is challenging because experimental research frequently focuses on short-term, individual-level impacts in isolation. We address this shortcoming first through an inter-disciplinary ensemble of novel experimental techniques to investigate the impacts of 14-month exposure to ocean acidification and warming (OAW) on the physiology, activity, ...
Kagawa Y Y Institute for Nanoscience and Nanotechnology, Waseda University, 2-2 Wakamatsu-cho, Shinjuku-ku, Tokyo, 162-8480, - - 2014
We developed a model for nutrient removal in an aerobic granular sludge system. This model can quantitatively describe the start-up of the system by coupling a model for studying the population dynamics of the granules in the reactor (reactor-scale model) and a model for studying the microbial community structure in ...
Holton James M JM Department of Biochemistry and Biophysics, University of California, San Francisco, CA, 94158- 2330, USA; Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, 94720, - - 2014
In macromolecular crystallography the agreement between observed and predicted structure factors (Rcryst and Rfree ) is seldom better than 20%. This is much larger than the estimate of experimental error (Rmerge ). The difference between Rcryst and Rmerge is the R-factor Gap. There is no such gap in small-molecule crystallography ...
Tichy Malte C MC Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus, - - 2014
Boson sampling holds the potential to experimentally falsify the extended Church-Turing thesis. The computational hardness of boson sampling, however, complicates the certification that an experimental device yields correct results in the regime in which it outmatches classical computers. To certify a boson sampler, one needs to verify quantum predictions and ...
Elipot Yannick Y 1 CNRS UPR3294, DECA Group, Institut Alfred Fessard , Gif-sur-Yvette, France - - 2014
Abstract Astyanax mexicanus, a teleost fish comprising both sighted river-dwelling and blind cave-dwelling morphs, is becoming increasingly used in the field of developmental and evolutionary biology. Thus, new experimental and technological tools are needed on this emerging fish model by the expanding scientific community. Here, we describe Astyanax husbandry and ...
Smith Alec A Humanities and Social Sciences and Computational and Neural Systems, California Institute of Technology, Pasadena, CA 91125; acs@hss.caltech.edu camerer@hss.caltech.edu - - 2014
Groups of humans routinely misassign value to complex future events, especially in settings involving the exchange of resources. If properly structured, experimental markets can act as excellent probes of human group-level valuation mechanisms during pathological overvaluations-price bubbles. The connection between the behavioral and neural underpinnings of such phenomena has been ...
Gleeson James P JP Mathematics Applications Consortium for Science and Industry, Department of Mathematics and Statistics, University of Limerick, Limerick, Ireland; - - 2014
Human activities increasingly take place in online environments, providing novel opportunities for relating individual behaviors to population-level outcomes. In this paper, we introduce a simple generative model for the collective behavior of millions of social networking site users who are deciding between different software applications. Our model incorporates two distinct ...
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