bluuebunny/crossref_metadata_2025_split huggingface dataset:
Description of conductivity steps in polymer and other materials by functions of p‐adic argument
Authors: Zharkov Viktor 
Published: March 2012

AbstractWe study the quantum jumps of physical quantities in a strongly correlated many electron systems based on a new p‐adic functional integral approach. It is shown that a description in terms of the p‐adic numbers leads to the fractal behavior and can describe the quantum jumps in the conductivity and magnetization as a function of voltage and magnetic field in nanotechnology devices and low‐dimensional strongly correlated organic metals and other materials. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Radical cation salts of CLEDO‐TTF with octahedral anions
Authors: Ishikawa Manabu , Nakano Yoshiaki , Uruichi Mikio , Yakushi Kyuya , Yamochi Hideki 
Published: March 2012

AbstractA new π‐donor, 4‐chloro‐4′,5′‐ethylenedioxytetrathiafulvalene (CLEDO‐TTF) was synthesized from 4‐methoxycarbonyl‐4′,5′‐ethylenedioxytetrathiafulvalene in the yield of 85%. In the crystal of neutral molecule, the head‐to‐head type uniform stacking column, in which the donor molecules are related by a unit cell translation, was formed. The electrocrystallization of CLEDO‐TTF with PF6 afforded two kinds of 1:1 salts of purple rods and green plates as miner species. In both 1:1 salts, the head‐to‐tail dimers with ring‐over‐ring overlapping mode were formed. Geometrically, the dimers were included in slipped stacking column in the purple rod salt, while the two‐dimensional network was formed in the green plate salt. The significant steric effect of chlorine atom along the molecular long axis was confirmed by the intermolecular arrangement in the green plate salt, in which the chlorine atom is faced to the hydrogen atom of the neighbouring donor along the long axis. The normal mode analyses were carried out for the neutral and monocationic CLEDO‐TTF, which agreed well with the observed Raman spectra. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Phase transition behavior in the mixed crystal of pristine and mono‐methyl substituted EDO‐TTF
Authors: Hiramatsu Takaaki , Murata Tsuyoshi , Shao Xiangfeng , Nakano Yoshiaki , Yamochi Hideki , Uruichi Mikio , Yakushi Kyuya , Tanaka Koichiro 
Published: March 2012

AbstractWe report the mixed crystals of pristine and monomethyl substituted EDO‐TTF with PF6, [(EDO‐TTF)1–x(MeEDO ‐TTF)x ]2PF6 (x = mole fraction of MeEDO‐TTF, x = 0.095, 0.210, 0.345). While three mechanisms of Peierls, charge order (CO), and anion order (AO) transiton concurrently cause the metal‐insulator (M‐I) transion at about 280 K in the pristine crystal (x = 0), the cooperativity was modulated in the mixed crystals. The mixed crystals of x = 0.095‐0.210 showed the M‐I transition originated only from Peierls mechanism and that of x = 0.345 did not show the unit cell‐doubling down to 100 K. The analysis of anion motion revealed that AO transition does not cooperate with Peierls transition for the mixed crystals with intermediate x. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Vibrational spectroscopic study of carbon nano‐onions coated with polyaniline
Authors: Łapiński Andrzej , Dubis Alina T. , Plonska‐Brzezinska Marta E. , Mazurczyk Julita , Breczko Joanna , Echegoyen Luis 
Published: March 2012

AbstractCarbon nano‐onions (CNOs) coated with polyaniline (PANI) were synthesized by using an in situ chemical oxidative polymerization method. Two types of PANI were used in our investigations: the green protonated conducting emeraldine (PANI‐ES) and nonconducting blue emeraldine base (PANI‐EB). Vibrational spectroscopic study of the composites containing carbon nano‐onions and polyaniline were carried out using infrared absorption and Raman spectroscopy. The spectra of carbon nano‐onions with polyaniline and reference molecules were recorded. For some of the investigated molecules and/or their fragments theoretical analysis of normal mode calculations were performed. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
First‐principles study of vanadium adsorption and diffusion on the AlN(0001) surface
Authors: Rivera‐Julio Jagger , López‐Pérez William , González‐Hernández Rafael , Escorcia‐Salas Gene E. , Sierra‐Ortega José 
Published: March 2012

AbstractWe have performed spin‐polarized first‐principles calculations to explore the vanadium adsorption and diffusion on the AlN(0001)‐(2 × 2) surface. The calculations were performed using the generalized gradient approximation with ultrasoft pseudopotential within the density functional theory. The surface is modeled using the repeated slabs approach. To study the most favorable reconstruction with vanadium adatom, we considered H3, T4, and T1 high‐symmetry sites. We found that the most energetically favorable structure corresponds to the V‐T4 reconstruction or the vanadium adatom located at the hcp‐hollow (T4) site whereas the vanadium adsorption on‐top of a aluminium atom (T1 position) is energetically unfavorable. The vanadium diffusion on surface shows an activation energy of 0.262 eV (T4–H3). The resultant reconstruction of the vanadium adsorption on AlN(0001)‐(2 ×2) surface presents a lateral relaxation of some hundredth of Å in the most stable site. The comparison between the density of states of the AlN(0001) clean surface and with vanadium adatom is also examined. © 2012 Wiley Periodicals, Inc.
Novel product ions of 2‐aminoanilide and benzimidazole Ag(I) complexes using electrospray ionization with multi‐stage tandem mass spectrometry
Authors: Johnson Byron S. , Burinsky David J. , Burova Svetlana A. , Davis Roman , Fitzgerald Russ N. , Matsuoka Richard T. 
Published: March 2012

RATIONALEThe 2‐aminoaniline scaffold is of significant value to the pharmaceutical industry and is embedded in a number of pharmacophores including 2‐aminoanilides and benzimidazoles. A novel application of coordination ion spray mass spectrometry (CIS‐MS) for interrogating the silver ion (Ag+) complexes of a homologous series of these compounds using multi‐stage tandem mass spectrometry is described. Unlike the ubiquitous alkali metal ion complexes, Ag+ complexes of 2‐aminoanilides and benzimidazoles were found to yield [M – H]+ ions in significant abundance via gas‐phase elimination of the metal hydride (AgH) resulting in unique product ion cascades.METHODSSample introduction was by liquid chromatography with mass spectrometry analysis performed on a hybrid linear ion trap/orbitrap instrument capable of high‐resolution measurements.RESULTSRigorous structural characterization by multi‐stage tandem mass spectrometry using [M + H]+, [M – H]– and [M – H]+ precursor ions derived from ESI and CIS experiments was performed for the homologous series of 2‐aminoanilide and benzimidazole compounds. A full tabular comparison of structural information resulting from these product ion cascades was produced.CONCLUSIONSMulti‐stage tandem mass spectrometry of [M – H]+ ions resulting from Ag+ complexes of 2‐aminoanilides and benzimidazoles in CIS‐MS experiments produced unique product ion cascades that exhibited complementary structural information to that obtained from tandem mass spectrometry of [M + H]+ and [M – H]– ions by electrospray ionization (ESI). These observations may be broadly applicable to other compounds that are observed to form Ag+ complexes and eliminate AgH. Copyright © 2012 John Wiley & Sons, Ltd.
Piecewise affine approximations of fluxes and enzyme kinetics from in vivo13C labeling experiments
Authors: Abate Alessandro , Hillen Robert C. , Aljoscha Wahl S. 
Published: March 2012

SUMMARYOwing to the ever increasing amount of available information on metabolic networks and, in particular, to the increase in information content from in vivo 13C dynamic labeling experiments, this work investigates the problem of reconstructing dynamic fluxes and enzyme kinetics. The model structure is based on the use of piecewise affine approximations. The optimization procedure at the basis of the model identification is improved by separating the parameter estimation procedure into two different phases. As a first step, a dynamic flux profile in time is reconstructed using functions that are piecewise affine (in time). To achieve scalability for this step, several approaches have been developed and compared. Afterwards, the time‐dependent profiles are embedded in the concentration space and the enzyme kinetic functions for single reactions are identified independently. This is an advantage compared with standard complete kinetic network approaches, which are typically characterized by hundreds of parameters, because now only a few need to be optimized simultaneously. Additionally, different kinetic formats can be rapidly compared. The overall approach is demonstrated using an informative in silico experiment. Copyright © 2012 John Wiley & Sons, Ltd.
Three‐Dimensional Electrospun Alginate Nanofiber Mats via Tailored Charge Repulsions
Authors: Bonino Christopher A. , Efimenko Kirill , Jeong Sung In , Krebs Melissa D. , Alsberg Eben , Khan Saad A. 
Published: March 2012

AbstractThe formation of 3D electrospun mat structures from alginate–polyethylene oxide (PEO) solution blends is reported. These unique architectures expand the capabilities of traditional electrospun mats for applications such as regenerative medicine, where a scaffold can help to promote tissue growth in three dimensions. The mat structures extend off the surface of the flat collector plate without the need of any modifications in the electrospinning apparatus, are self‐supported when the electric field is removed, and are composed of bundles of nanofibers. A mechanism for the unique formations is proposed, based on the fiber–fiber repulsions from surface charges on the negatively charged alginate. Furthermore, the role of the electric field in the distribution of alginate within the nanofibers is discussed. X‐ray photoelectron spectroscopy is used to analyze the surface composition of the electrospun nanofiber mats and the data is related to cast films made in the absence of the electric field. Further techniques to tailor the 3D architecture and nanofiber morphology by changing the surface tension and relative humidity are also discussed.
(Lysozyme Type VI)‐Stabilized Au8 Clusters: Synthesis Mechanism and Application for Sensing of Glutathione in a Single Drop of Blood
Authors: Chen Tzu‐Heng , Tseng Wei‐Lung 
Published: March 2012

AbstractThis paper presents a one‐pot approach for preparing highly fluorescent Au8 clusters by reacting the Au3+ precursor solution with lysozyme type VI (Lys VI) at pH 3. The fluorescence band of (Lys VI)‐stabilized Au8 clusters is centered at 455 nm on the excitation at 380 nm. Blue‐emitting Au8 clusters have a high quantum yield (∼56%), two fluorescence lifetimes, and a rare amount of Au+ on the surface of the Au core. When the pH of a solution of Au8 clusters increases suddenly to 12, the Au8 clusters gradually convert to Au25 clusters over time. This conversion is also observed in the case of (Lys VI)‐directed synthesis of Au25 clusters at pH 12. The pH‐induced conversion of Au8 to Au25 clusters suggests that the size of (Lys VI)‐stabilized gold nanoclusters (AuNCs) relies on the secondary structure of Lys VI, which is susceptible to pH change. Based on these results and previous literature, this paper proposes the possible mechanism for growing (Lys VI)‐stabilized Au8 and Au25 clusters. Additionally, (Lys VI)‐stabilized Au8 clusters could sense glutathione (GSH) through GSH‐induced core‐etching of Au8 clusters; the limit of detection at a signal‐to‐noise ratio of 3 for GSH is determined to be 20 nm. Except for cysteine, the selectivity of (Lys VI)‐stabilized Au8 clusters for GSH over amino acids is remarkably high. The practicality of using Au8 clusters to determine the concentration of GSH in a single drop of blood is also validated.
Interpretation of Tap Induced Cyclic Temperatures in the Blast Furnace Lining
Authors: Swartling Maria , Tilliander Anders , Saxén Henrik , Jönsson Pär G. 
Published: March 2012

AbstractThe thermal behavior of the blast furnace hearth was studied using modeling. The focus was the effect of the size and shape of the taphole clay layer around the taphole. Four different cases have been calculated: one reference case and three cases with different taphole clay layer geometries. It was found that the calculated peak‐to‐peak amplitudes of the lining temperatures during the tap cycles at the location of a thermocouple can be approximated as a linear function of the taphole clay layer thicknesses for all calculated cases. Modeling was also done where both the 90th and the 10th percentile of the observed peak‐to‐peak values of the studied tap cycles were included to describe the behavior of the operating furnace. The taphole region can be divided into three categories based on how well the model can describe the measured process data: below, at, and above taphole level. Below the taphole level, the measured lining temperature variations are smaller than for the calculated results. At the taphole level, the model can describe the behavior well. Above the taphole level the measured lining temperature variations are larger than for the calculated results. It was concluded that in order to make a more accurate heat transfer model of the taphole region, the presence of a skull build‐up below the taphole, erosion above the taphole, and the bath level variations need to be taken into account.
Efficient mutation testing of multithreaded code
Authors: Gligoric Milos , Jagannath Vilas , Luo Qingzhou , Marinov Darko 
Published: March 2012

SUMMARYMutation testing is a well‐established method for measuring and improving the quality of test suites. A major cost of mutation testing is the time required to execute the test suite on all the mutants. This cost is even greater when the system under test is multithreaded: not only are test cases from the test suite executed on many mutants but also each test case is executed—or more precisely, explored—for multiple possible thread schedules. This paper introduces a general framework for efficient exploration that can reduce the time for mutation testing of multithreaded code. The paper presents five techniques (four optimizations and one heuristic) that are implemented in a tool called MuTMuT within the general framework. Evaluation of MuTMuT on mutation testing of 12 multithreaded programs shows that it can substantially reduce the time required for mutation testing of multithreaded code.Copyright © 2012 John Wiley & Sons, Ltd.
End‐to‐end delay and packet drop rate performance for a wireless sensor network with a cluster‐tree topology
Authors: Liu Wenjuan , Zhao Dongmei , Zhu Gang 
Published: March 2012

ABSTRACTIn this paper, we study the delay performance in a wireless sensor network (WSN) with a cluster‐tree topology. The end‐to‐end delay in such a network can be strongly dependent on the relative location between the sensors and the sink and the resource allocations of the cluster heads (CHs). For real‐time traffic, packets transmitted with excessive delay are dropped. Given the timeline allocations of each CH for local and inter‐cluster traffic transmissions, an analytical model is developed to find the distribution of the end‐to‐end transmission delay for packets originated from different clusters. Based on this result, the packet drop rate is derived. A heuristic scheme is then proposed to jointly find the timeline allocations of all the CHs in a WSN in order to achieve the minimum and balanced packet drop rate for traffic originated from different levels of the cluster tree. Simulation results are shown to verify the analysis and to demonstrate the effectiveness of the proposed CH timeline allocation scheme. Copyright © 2012 John Wiley & Sons, Ltd.
Levels of analysis: philosophical issues
Authors: Houng Allen Y. 
Published: March 2012

AbstractA focal concern in the philosophy of cognitive science is whether the world is fundamentally organized into hierarchies of levels and whether mental phenomena exemplify such higher‐level regularities and hence are unexplainable by lower‐level theory. Levels of analysis represent different stances from which predictive and explanatory theories are constructed, and each level of analysis contains a set of kind terms representing things in nature, predicates representing properties or relations, and law‐like generalizations or principles. The concept of levels of analysis, which plays a central role in debates over the cognitive architecture of the mind in cognitive science, is concerned mainly with the choice of which level of analysis can be expected to maximize the predictability and explanatory power of cognitive modeling. The core philosophical issues concerning the levels of analysis are the problem of theoretical reduction between the levels, the concept of supervenience, the problem of emergent properties, and the conceptual coherence of the notion of downward causation. WIREs Cogn Sci 2012, 3:315–325. doi: 10.1002/wcs.1179This article is categorized under:

Philosophy > Foundations of Cognitive Science
An early scientific report of ball lightning from Brazil
Authors: Farrona A. M. M. , Vaquero J. M. 
Published: March 2012

AbstractBall lightning is a curious, complex and multifaceted atmospheric phenomenon whose nature remains a subject of some controversy. Eyewitness reports of ball lightning allow a fuller and more objective description of the phenomenon to be formulated. This work presents a report describing a ball lightning event observed on 19 February 1783 in Rio de Janeiro (Brazil) by Bento Sanches Dorta.
Fire in the ashes: Can failed Alzheimer's disease drugs succeed with second chances?
Authors: Becker Robert E. , Greig Nigel H. 
Published: March 2012

BackgroundSince Cognex, more than 200 Alzheimer's disease (AD) drug candidates have failed. Investigations have identified vulnerabilities of these AD drug developments to methodological errors. (−)‐Phenserine has been discussed as possibly failing due to flawed methods and practices in development.MethodsWe analyzed documentation of (−)‐phenserine's development for vulnerabilities to errors and designed interventions for a redevelopment that could provide fair or unbiased assessments of (−)‐phenserine target engagement, target relevance for human diseases, and adequate presumptive evidence of efficacy as a therapeutic for one or more diagnoses to justify registration‐required clinical trials.ResultsSimilar to studies of 40 other AD developments, with (−)‐phenserine, we found little evidence of preemptive interventions against potentially invalidating errors, grounds to judge progress in development through stages as not scientifically justifiable, and variance excess and placebo group improvements as capable of accounting for outcomes from various studies in the development. We propose to compare a redevelopment resourced to counter these deficiencies with the original development as historical control to evaluate further our hypothesis that errors in development accounted for the (−)‐phenserine failure, specifically, and other AD drug failures, potentially.ConclusionsWe find support for our earlier proposal that (−)‐phenserine did not fail, but the methods of development did fail, to provide conditions where efficacy could be tested. We propose that redevelopment under conditions aimed to correct methodological deficiencies common in AD drug developments will successfully test efficacy for (−)‐phenserine and hopefully lead to a disease‐modifying addition to the AD therapeutic armamentarium.
Outcomes of Children With Complex Regional Pain Syndrome After Intensive Inpatient Rehabilitation
Authors: Brooke Valerie , Janselewitz Steven 
Published: March 2012

ObjectiveTo examine the effectiveness of an inpatient treatment program on eliminating pain and increasing function for children with complex regional pain syndrome.DesignA retrospective chart review and follow‐up telephone survey.SettingA tertiary care hospital.PatientsRetrospective chart review of 32 children admitted for treatment of complex regional pain syndrome. Nineteen completed the telephone survey.InterventionIntensive inpatient physical and occupation therapy in conjunction with psychological counseling, art therapy, recreational therapy, and child life specialists who focused on improving physical function and conditioning, stress management, and the development of self‐efficacy related to pain and stress.Main Outcome MeasurementsResolution of pain and restoration of full function by patient or family report.ResultsAll the children had failed various prior treatment approaches: 34% had resolution at the time of discharge; 78% of admissions and 89% of those with follow‐up had eventual resolution of pain; and 95% had full restoration of physical function at a median time from start of treatment of 2 months. Seven had recurrence and 5 were able to resolve the recurrence without further intervention from the medical community.ConclusionsIntensive inpatient rehabilitation is effective for children with complex regional pain syndrome. Additional studies are necessary to compare this treatment with other approaches.
The fragmentation of the ocean: spray formation
Authors: Couder Yves 
Published: March 2012

AbstractBy what process can droplets be extracted out of the sea? This is an old problem, well-documented by precise field measurements of the size distribution of the spray aerosols. Lhuissier & Villermaux (J. Fluid Mech., this issue, vol. 696, 2012, pp. 5–44) study and characterize the bursting of an emerging bubble. They show that this single type of event can, by itself, generate the droplet size distributions in a sea spray. This is a remarkable result showing how, in a complex system, a statistical distribution can be entirely produced by the dynamics of one dominant phenomenon.
Slender-body theory for the generation of micrometre-sized emulsions through tip streaming
Authors: Castro-Hernández E. , Campo-Cortés F. , Gordillo José Manuel 
Published: March 2012

AbstractWe report experiments in which a flow rate ${Q}_{i} $ of a fluid with a viscosity ${\ensuremath{\mu} }_{i} $ discharges into an immiscible liquid of viscosity ${\ensuremath{\mu} }_{o} $ that flows in parallel with the axis of the injector. When the outer capillary number verifies the condition ${\mathit{Ca}}_{o} = {\ensuremath{\mu} }_{o} {U}_{o} / \sigma ~\geqslant ~5$, where ${U}_{o} $ and $\sigma $ indicate, respectively, the outer velocity and the interfacial tension coefficient, and if the inner-to-outer velocity ratio is such that ${U}_{i} / {U}_{o} = {Q}_{i} / (\lrm{\pi} {U}_{o} { R}_{i}^{2} )\ll 1$, with ${R}_{i} $ the inner radius of the injector, a jet is formed with the same type of cone–jet geometry as predicted by the numerical results of Suryo & Basaran (Phys. Fluids, vol. 18, 2006, p. 082102). For extremely low values of the velocity ratio ${U}_{i} / {U}_{o} $, we find that the diameter of the jet emanating from the tip of the cone is so small that drops with sizes below $1~\lrm{\ensuremath{\mu}} \mathrm{m} $ can be formed. We also show that, through this simple method, concentrated emulsions composed of micrometre-sized drops with a narrow size distribution can be generated. Moreover, thanks to the information extracted from numerical simulations of boundary-integral type and using the slender-body approximation due to Taylor (Proceedings of the 11th International Congress of Applied Mechanics, Munich, 1964, pp. 790–796), we deduce a third-order, ordinary differential equation that predicts, for arbitrary values of the three dimensionless numbers that control this physical situation, namely, ${\mathit{Ca}}_{o} $, ${\ensuremath{\mu} }_{i} / {\ensuremath{\mu} }_{o} $ and ${U}_{i} / {U}_{o} $, the shape of the jet and the sizes of the drops generated. Most interestingly, the influence of the geometry of the injector system on the jet shape and drop size enters explicitly into the third-order differential equation through two functions that can be easily calculated numerically. Therefore, our theory can be used as an efficient tool for the design of new emulsification devices.