bluuebunny/crossref_metadata_2025_split huggingface dataset:
A fracture mapping and extended finite element scheme for coupled deformation and fluid flow in fractured porous media
Authors: Lamb Anthony R. , Gorman Gerard J. , Elsworth Derek 
Published: February 2013

SUMMARYThis paper presents a fracture mapping (FM) approach combined with the extended finite element method (XFEM) to simulate coupled deformation and fluid flow in fractured porous media. Specifically, the method accurately represents the impact of discrete fractures on flow and deformation, although the individual fractures are not part of the finite element mesh. A key feature of FM‐XFEM is its ability to model discontinuities in the domain independently of the computational mesh. The proposed FM approach is a continuum‐based approach that is used to model the flow interaction between the porous matrix and existing fractures via a transfer function. Fracture geometry is defined using the level set method. Therefore, in contrast to the discrete fracture flow model, the fracture representation is not meshed along with the computational domain. Consequently, the method is able to determine the influence of fractures on fluid flow within a fractured domain without the complexity of meshing the fractures within the domain. The XFEM component of the scheme addresses the discontinuous displacement field within elements that are intersected by existing fractures. In XFEM, enrichment functions are added to the standard finite element approximation to adequately resolve discontinuous fields within the simulation domain. Numerical tests illustrate the ability of the method to adequately describe the displacement and fluid pressure fields within a fractured domain at significantly less computational expense than explicitly resolving the fracture within the finite element mesh. Copyright © 2013 John Wiley & Sons, Ltd.
Comparative Pharmacokinetics, Pharmacodynamics, and Tolerability of Ertapenem 1 Gram/Day Administered as a Rapid 5‐Minute Infusion versus the Standard 30‐Minute Infusion in Healthy Adult Volunteers
Authors: Wiskirchen Dora E. , Housman Seth T. , Quintiliani Richard , Nicolau David P. , Kuti Joseph L. 
Published: February 2013

Study ObjectiveTo compare ertapenem pharmacokinetics, pharmacodynamics, and tolerability when administered as a rapid 5‐minute infusion to the standard 30‐minute infusion.DesignProspective, randomized, crossover pharmacokinetic study.SettingClinical research center.SubjectsTwelve healthy adult volunteers.InterventionEach subject received ertapenem 1 g intravenously, administered either as a rapid 5‐minute infusion or the standard 30‐minute infusion, every 24 hours for 3 days (first phase); after a 4‐day washout period, each subject then received the other infusion every 24 hours for 3 days (second phase).Measurements and Main ResultsPlasma samples were collected after the first and third (steady‐state) doses of each study phase, and protein binding was assessed by use of ultrafiltration. Pharmacokinetic analyses were conducted using noncompartmental and compartmental methods. A 5000‐subject Monte Carlo simulation was used to assess the probability of target attainment for free drug concentration remaining above the minimum inhibitory concentration (MIC) for 40% or greater of the dosing interval (40% fT > MIC) over an MIC range. Ertapenem was well tolerated and adverse events were similar for both infusions. The ertapenem steady‐state mean ± SD maximum concentrations were 193.3 ± 43.3 and 165.7 ± 20.4 mg/L for the 5‐ and 30‐minute infusions, respectively; the mean ± SD areas under the concentration‐time curves from 0–24 hours were 561.2 ± 77.0 and 531.3 ± 56.9 μg · hr/ml (geometric mean ratio 1.008, 90% confidence interval 0.999–1.017), respectively. Protein binding was concentration dependent (range 87.9–98.9%). A two‐compartment model best described ertapenem pharmacokinetics with the following parameter estimates: clearance 1.89 ± 0.19 L/hr, volume of central compartment 5.04 ± 0.56 L, and transfer constants k12 0.43 ± 0.08/hr and k21 0.44 ± 0.07/hr. The probabilities of target attainment for 5‐ and 30‐minute infusions were 97.0% and 97.9% at an MIC of 0.25 mg/L and 1.7% and 2.8% at an MIC of 0.5 mg/L, respectively.ConclusionErtapenem administered as a rapid 5‐minute infusion provides a well tolerated, bioequivalent, and pharmacodynamically equivalent regimen to the 30‐minute infusion at clinically relevant MICs.
The energy payback time of advanced crystalline silicon PV modules in 2020: a prospective study
Authors: Mann Sander A. , de Wild‐Scholten Mariska J. , Fthenakis Vasilis M. , van Sark Wilfried G.J.H.M. , Sinke Wim C. 
Published: February 2013

ABSTRACTThe photovoltaic (PV) market is experiencing vigorous growth, whereas prices are dropping rapidly. This growth has in large part been possible through public support, deserved for its promise to produce electricity at a low cost to the environment. It is therefore important to monitor and minimize environmental impacts associated with PV technologies. In this work, we forecast the environmental performance of crystalline silicon technologies in 2020, the year in which electricity from PV is anticipated to be competitive with wholesale electricity costs all across Europe. Our forecasts are based on technological scenario development and a prospective life cycle assessment with a thorough uncertainty and sensitivity analysis. We estimate that the energy payback time at an in‐plane irradiation of 1700 kWh/(m2 year) of crystalline silicon modules can be reduced to below 0.5 years by 2020, which is less than half of the current energy payback time. Copyright © 2013 John Wiley & Sons, Ltd.
Genetic and environmental factors interplay in Parkinson's disease
Authors: Church Alistair 
Published: February 2013

AbstractOur series of Commentaries from the Primary Care Neurology Society (P‐CNS) aim to provide a primary care perspective on the neurology articles featured in each issue of Progress. Here, Dr Alistair Church provides a commentary on our article ‘Pesticides and Parkinson's disease pathogenesis: the controversy continues’ (see page 20 of this issue).
Myasthenia gravis unmasked by antipsychotic medication
Authors: Wilson Carol Lee , Ferguson John 
Published: February 2013

AbstractSeveral medications, including some antipsychotics, have been shown to worsen myasthenia gravis symptoms. Here, Drs Wilson and Ferguson report the case of a patient with bipolar affective disorder, whose undiagnosed myasthenia gravis was unmasked by antipsychotic medication used to treat a manic relapse and whose symptoms were first attributed to antipsychotic‐associated extrapyramidal sideeffects.
On AlO Emission Spectroscopy as a Diagnostic in Energetic Materials Testing
Authors: Peuker Jennifer Mott , Lynch Patrick , Krier Herman , Glumac Nick 
Published: February 2013

AbstractThe emission of AlO is commonly observed in tests involving aluminum combustion in propellants and explosives. Such emission has been used as a signature of combustion, as a tool for measuring ignition and reaction times, and as a thermometer. This paper provides a critical review of methodologies exploiting AlO emission spectroscopy as a quantitative tool in energetics testing. Controlled tests involving aluminized explosives, as well as those using added alumina, are conducted, in which AlO emission is quantified and compared to total oxidation in the final residue. Experimental parameters such as optical depth and fireball confinement are systematically varied to examine the effect on AlO emission. We find that thermometry using AlO remains valid, and a new approach to using low resolution spectra is proposed. However, AlO emission spectroscopy or photometry can be quantitatively correlated to ignition and burning time, or used to infer the presence or absence of aluminum combustion, only under a limited set of circumstances. Factors that limit the ability to use AlO emission quantitatively are discussed in depth.
Preparation and Properties of 2,6‐Diamino‐3,5‐dinitropyrazine‐1‐oxide based Nanocomposites
Authors: An Chongwei , Li Hequn , Geng Xiaoheng , Li Junlong , Wang Jingyu 
Published: February 2013

AbstractWith estane as binder, a new nanocomposite energetic material based on 2,6‐diamino‐3,5‐dinitropyrazine‐1‐oxide (LLM‐105) was successfully prepared by the spray drying method. Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM), and X‐ray diffraction (XRD) was employed to characterize the nanocomposite samples. The impact sensitivity and thermal decomposition properties of the nanocomposites were also measured and analyzed. The results show that the nanocomposite particles are spherical in shape and range from 1 μm to 10 μm in size. The composite is aggregated of many tiny granules with nucleus/shell structure, in which the shell thickness and crystal size of LLM‐105 are about 20 nm and 50–100 nm. The crystal type of LLM‐105 in the nanocomposite is similar to that of raw LLM‐105, however, the diffraction peaks become weaker and wider mainly due to decreasing of particle size. The nanocomposite has lower impact sensitivity and better thermal stability.
A DFT Study on the Structures and Energies of Isomers of 4‐Amino‐1,3‐dinitro‐1,2,4‐triazol‐5‐one‐2‐oxide: New High Energy Density Compounds
Authors: Ravi Pasupala , Tewari Surya P. , Ramaswamy Ramakrishna 
Published: February 2013

AbstractIsomers of 4‐amino‐1,3‐dinitrotriazol‐5‐one‐2‐oxide (ADNTONO) are of interest in the contest of insensitive explosives and were found to have true local energy minima at the DFT‐B3LYP/aug‐cc‐pVDZ level. The optimized structures, vibrational frequencies and thermodynamic values for triazol‐5‐one N‐oxides were obtained in their ground state. Kamlet‐Jacob equations were used to evaluate the performance properties. The detonation properties of ADNTONO (D=10.15 to 10.46 km s−1, P=50.86 to 54.25 GPa) are higher compared with those of 1,1‐diamino‐2,2‐dinitroethylene (D=8.87 km s−1, P=32.75 GPa), 5‐nitro‐1,2,4‐triazol‐3‐one (D=8.56 km s−1, P=31.12 GPa), 1,2,4,5‐tetrazine‐3,6‐diamine‐1,4‐dioxide (D=8.78 km s−1, P=31.0 GPa), 1‐amino‐3,4,5‐trinitropyrazole (D=9.31 km s−1, P=40.13 GPa), 4,4′‐dinitro‐3,3′‐bifurazan (D=8.80 km s−1, P=35.60 GPa) and 3,4‐bis(3‐nitrofurazan‐4‐yl)furoxan (D=9.25 km s−1, P=39.54 GPa). The NH2 group(s) appears to be particularly promising area for investigation since it may lead to two desirable consequences of higher stability (insensitivity), higher density, and thus detonation velocity and pressure.
The diversity of allosteric controls at the gateway to aromatic amino acid biosynthesis
Authors: Light Samuel H. , Anderson Wayne F. 
Published: February 2013

AbstractPresent within bacteria, plants, and some lower eukaryotes 3‐deoxy‐D‐arabino‐heptulosonate 7‐phosphate synthase (DAHPS) catalyzes the first committed step in the synthesis of a number of metabolites, including the three aromatic amino acids phenylalanine, tyrosine, and tryptophan. Catalyzing the first reaction in an important biosynthetic pathway, DAHPS is situated at a critical regulatory checkpoint—at which pathway input can be efficiently modulated to respond to changes in the concentration of pathway outputs. Based on a phylogenetic classification scheme, DAHPSs have been divided into three major subtypes (Iα, Iβ, and II). These subtypes are subjected to an unusually diverse pattern of allosteric regulation, which can be used to further subdivide the enzymes. Crystal structures of most of the regulatory subclasses have been determined. When viewed collectively, these structures illustrate how distinct mechanisms of allostery are applied to a common catalytic scaffold. Here, we review structural revelations regarding DAHPS regulation and make the case that the functional difference between the three major DAHPS subtypes relates to basic distinctions in quaternary structure and mechanism of allostery.
12‐band k · p model for dilute bismide alloys of (In)GaAs derived from supercell calculations
Authors: Broderick Christopher A. , Usman Muhammad , O'Reilly Eoin P. 
Published: February 2013

AbstractIncorporation of bismuth (Bi) in dilute quantities in (In)GaAs has been shown to lead to unique electronic properties that can in principle be exploited for the design of high efficiency telecomm lasers. This motivates the development of simple models of the electronic structure of these dilute bismide alloys, which can be used to evaluate their potential as a candidate material system for optical applications. Here, we begin by using detailed calculations based on an sp3s* tight‐binding model of (In)GaBixAs1 − x to verify the presence of a valence band‐anticrossing interaction in these alloys.Based on the tight‐binding model the derivation of a 12‐band k · p Hamiltonian for dilute bismide alloys is outlined. We show that the band structure obtained from the 12‐band model is in excellent agreement with full tight‐binding supercell calculations. Finally, we apply the 12‐band model to In0.53Ga0.47BixAs1 − x and compare the calculated variation of the band gap and spin–orbit‐splitting to a variety of spectroscopic measurements performed on a series of MBE‐grown In0.53Ga0.47BixAs1 − x/InP layers.
Effects of Bi incorporation on the electronic properties of GaAs: Carrier masses, hole mobility, and Bi‐induced acceptor states
Authors: Pettinari Giorgio , Polimeni Antonio , Capizzi Mario , Engelkamp Hans , Christianen Peter C. M. , Maan Jan C. , Patanè Amalia , Tiedje Thomas 
Published: February 2013

AbstractThe puzzling electronic and transport properties of the Ga(AsBi) alloy are investigated for a wide range of Bi‐concentrations (x = 0–10.6%) by means of various experimental techniques in high magnetic fields (B up to 30 T): magneto‐photoluminescence spectroscopy, magneto‐far‐infrared (FIR) absorption spectroscopy, and Hall effect measurements. Our experimental findings suggest that the strength of hybridization of the continuum states of the valence and conduction bands with the Bi‐related electronic levels depends on the Bi‐concentration, thus leading to band edges with a localized (for x < 6%) or band‐like character (for x > 8%). We report an unusual compositional‐dependence of the exciton reduced mass (µexc), whose value can be larger (for x < 6%) or smaller (for x > 8%) than in GaAs depending on the Bi‐concentration. Correspondingly, the free‐hole mobility (µh) decreases with increasing Bi‐concentration and eventually tends to increase for x > ∼8%. The incorporation of Bi in GaAs also induces the formation of acceptor levels, which we reveal by FIR absorption spectroscopy and Hall effect measurements. The Bi‐induced acceptors are characterized by an exceedingly high value of the effective ground‐state g‐factor (geff ∼ 15) and are responsible for the increasing p‐type conductivity observed in nominally undoped Ga(AsBi) alloys with increasing Bi‐concentration.
Photoluminescence and energy transfer in Eu3+‐doped alkali gadolinium phosphates
Authors: Krasnikov Aleksei , Shalapska Tetiana , Stryganyuk Gregory , Voloshinovskii Anatoliy , Zazubovich Svetlana 
Published: February 2013

AbstractSpectral‐kinetic characteristics of the undoped and Eu3+‐doped alkali gadolinium phosphates of the type of MGdP4O12 (M = Li, Na) have been studied within the 4.2–300 K temperature range using time‐resolved luminescence spectroscopy techniques. The photon cascade luminescence of Gd3+ ions in the undoped LiGdP4O12 phosphate has been observed. In the case of the Eu3+‐doped MGdP4O12 phosphates, no quantum cutting process takes place due to the spectral overlap of the charge transfer band of Eu3+ with the bands arising from the 6GJ levels of Gd3+. The processes of energy migration along the Gd3+ sublattice and the Gd3+ → Eu3+ energy transfer have been studied. The phonon‐assisted population of the Gd3+ 6P5/2,3/2 excited levels is suggested to be responsible for the increase in the probability of the energy migration along the Gd3+ sublattice via the 6PJ states with the subsequent energy transfer to the 5IJ levels of an Eu3+ ion.
Nanotoxicity: A Growing Need for Study in the Endocrine System
Authors: Lu Xuefei , Liu Ying , Kong Xiangjun , Lobie Peter E. , Chen Chunying , Zhu Tao 
Published: February 2013

AbstractNanomaterials (NMs) are engineered for commercial purposes such as semiconductors, building materials, cosmetics, and drug carriers, while natural nanoparticles (NPs) already exist in the environment. Due to their unique physicochemical properties, they may interact actively with biological systems. Some of these interactions might be detrimental to human health, and therefore studies on the potential ‘nanotoxicity’ of these materials in different organ systems are warranted. The purpose of developing the concept of nanotoxicity is to recognize and evaluate the hazards and risks of NMs and evaluate safety. This review will summarize and discuss recent reports derived from cell lines or animal models concerning the effects of NMs on, and their application in, the endocrine system of mammalian and other species. It will present an update on current studies of the effects of some typical NMs—such as metal‐based NMs, carbon‐based NMs, and dendrimers—on endocrine functions, in which some effects are adverse or unwanted and others are favorable or intended. Disruption of endocrine function is associated with adverse health outcomes including reproductive failure, metabolic syndrome, and some types of cancer. Further investigations are therefore required to obtain a thorough understanding of any potential risk of pathological endocrine disruption from products containing NMs. This review aims to provide impetus for further studies on the interactions of NMs with endocrine functions.
DNA‐Directed Gold Nanodimers with Tunable Sizes and Interparticle Distances and Their Surface Plasmonic Properties
Authors: Lan Xiang , Chen Zhong , Liu Bi‐Ju , Ren Bin , Henzie Joel , Wang Qiangbin 
Published: February 2013

AbstractA quantitative understanding of the localized surface plasmon resonances (LSPRs) of metallic nanostructures has received tremendous interest. However, most of the current studies are concentrated on theoretical calculation due to the difficulty in experimentally obtaining monodisperse discrete metallic nanostructures with high purity. In this work, endeavors to assemble symmetric and asymmetric gold nanoparticle (AuNP) dimer structures with exceptional purity are reported using a DNA self‐assembly strategy through a one‐step gel electrophoresis, which greatly facilitates the preparation process and improves the final purity. In the obtained Au nanodimers, the sizes of AuNPs (13, 20, and 40 nm) and the interparticle distances (5, 10, and 15 nm) are tunable. The size‐ and distance‐dependent plasmon coupling of ensembles of single, isolated dimers in solution are subsequently investigated. The experimental measurements are correlated with the modeled plasmon optical properties of Au nanodimers, showing an expected resonance shift with changing particle sizes and interparticle distances. This new strategy of constructing monodisperse metallic nanodimers will be helpful for building more complicated nanostructures, and our theoretical and experimental understanding of the intrinsic dependence of plasmon property of metallic nanodimer on the sizes and interparticle distances will benefit the future investigation and exploitation of near‐field plasmonic properties.
Large‐scale inter‐system clone detection using suffix trees and hashing
Authors: Koschke Rainer 
Published: February 2013

SUMMARYDetecting a similar code between two systems has various applications such as comparing two software variants or versions or finding potential license violations. Techniques detecting suspiciously similar code must scale in terms of resources needed to very large code corpora and need to have high precision because a human needs to inspect the results. This paper demonstrates how suffix trees can be used to obtain a scalable comparison. The evaluation is carried out for very large code corpora. Our evaluation shows that our approach is faster than index‐based techniques when the analysis is run only once. If the analysis is to be conducted multiple times, creating an index pays off. We report how much code can be filtered out from the analysis using an index‐based filter. In addition to that, this paper proposes a method to improve precision through user feedback. A user validates a sample of the found clone candidates. An automated data mining technique learns a decision tree on the basis of the user decisions and different code metrics. We investigate the relevance of several metrics and whether criteria learned from one application domain can be generalized to other domains. Copyright © 2013 John Wiley & Sons, Ltd.
Apomorphine‐induced modulation of neural activities in the ventrolateral striatum of rats
Authors: Fujita Satoshi , Kato Risako , Cui Yilong , Terakado Masanori , Suga Kurando , Koshikawa Noriaki , Kobayashi Masayuki 
Published: February 2013

ABSTRACTThe dopaminergic system in the ventrolateral portion of the striatum (Svl), part of the basal ganglia, regulates orofacial movements; bilateral co‐stimulation of both dopamine D1‐like and D2‐like receptors elicits repetitive jaw movements in rats. However, how the activities of Svl neurons are modulated by the activation of dopaminergic receptors remains unknown. We systematically injected apomorphine, a non‐selective dopamine receptor agonist that induced jaw movements under urethane anesthesia, and performed multi‐channel unit recording from Svl neurons. The Svl neurons were classified into two subgroups: (1) the phasically active (PA) neurons represented by mainly the medium spiny neurons and the GABAergic interneurons in part, and (2) the tonically active (TA) neurons composed of mainly the cholinergic interneurons. Apomorphine modulated PA neuron firing frequency with wide variability; 33.3% of the PA neurons were facilitated, while 38.3% were suppressed. In the majority of TA neurons, the firing frequency was reduced by apomorphine (71.1%). The cross‐correlations between PA and PA, PA and TA, and TA and TA neurons were analyzed, and pairs of PA neurons and pairs of PA and TA neurons, showed negligible apomorphine‐induced effect on the number of synchronized spikes. In contrast, pairs between TA neurons showed a consistent decrease in the number of synchronized spikes. The apomorphine‐induced suppression of TA neuron activities with decreased synchronized outputs is likely to reduce the amount of locally released acetylcholine, which may contribute to the induction of apomorphine‐induced jaw movements in rats. Synapse 67:363–373, 2013. © 2013 Wiley Periodicals, Inc.