bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sequential Vinyl Radical Cyclization/Fixation of Carbon Dioxide through Electrochemical Reduction of Vinyl Bromide in the Presence of an Electron‐Transfer Mediator
Authors: Katayama Asahi , Senboku Hisanori 
Published: October 2016

AbstractConstant‐current electrolysis of vinyl bromide in DMF containing 0.1 m Bu4NBF4 by using an undivided cell equipped with a platinum plate cathode and a magnesium rod anode in the presence of an electron‐transfer mediator, methyl 4‐tert‐butylbenzoate, and carbon dioxide resulted in selective generation of a vinyl radical, for which cyclization followed by fixation of carbon dioxide with a carbon–carbon bond formation gave γ,δ‐unsaturated carbo‐ and heterocycle carboxylic acids in moderate to good yields. The vinyl radical could be selectively generated under the electrolysis conditions, and the following reaction of the anion species, generated by one‐electron reduction of the resulting cyclized radical, with carbon dioxide took place efficiently. These results and cyclic voltammetry indicate that methyl 4‐tert‐butylbenzoate plays an important role in the generation of vinyl radicals from vinyl bromides. The resulting cyclized γ,δ‐unsaturated carboxylic acid was successfully applied to stepwise and direct iodo‐lactonization to give the corresponding bicycle γ‐lactones in good yields.
Voltammetry of Viologens Revealing Reduction of Hydrophobic Interaction in Frozen Aqueous Electrolyte Solutions
Authors: Qu Hui , Harada Makoto , Okada Tetsuo 
Published: October 2016

AbstractVoltammetry of viologens, methylviologen (MV2+) and benzylviologen (BV2+) in frozen aqueous solutions reveals that freezing suppresses the hydrophobic interactions. Reduced viologen species (MV0 or BV+.), which have intrinsically poor solubility in water, give sharp adsorption peaks in cyclic voltammograms. Freezing makes the peaks broader and peak broadening increases with decreasing the liquid phase volume in a frozen solution. This obviously indicates that the surface wave is transferred into the usual diffusion controlled wave. Thus, the interaction between adsorbates is weakened by freezing. In addition, freezing reduces the complexation constant of β‐cyclodextrin (β‐CD) with MV0 but slightly enhances that with BV+.. This is also interpreted as the suppression of the hydrophobic interactions in the frozen concentrated solution.
Stable All‐Organic Radicals with Ambipolar Charge Transport
Authors: Reig Marta , Gozálvez Cristian , Jankauskas Vygintas , Gaidelis Valentas , Grazulevicius Juozas V. , Fajarí Lluís , Juliá Luis , Velasco Dolores 
Published: October 2016

AbstractA series of neutral long‐lived purely organic radicals based on the stable [4‐(N‐carbazolyl)‐2,6‐dichlorophenyl]bis(2,4,6‐trichlorophenyl)methyl radical adduct (Cbz‐TTM) is reported herein. All compounds exhibit ambipolar charge‐transport properties under ambient conditions owing to their radical character. High electron and hole mobilities up to 10−2 and 10−3 cm2 V−1 s−1, respectively, were achieved. Xerographic single‐layered photoreceptors were fabricated from the radicals studied herein, exhibiting good xerographic photosensitivity across the visible spectrum.
N‐Heterocyclic Silylenes in Boron Chemistry: Facile Formation of Silylboranes and Silaborinines
Authors: Gackstatter Annika , Braunschweig Holger , Kupfer Thomas , Voigt Christian , Arnold Nicole 
Published: October 2016

AbstractReaction of a N‐heterocyclic silylene (NHSi) with PhBX2 (X=Cl, Br) readily afforded six‐membered silaborinines through an insertion/ring expansion sequence. Increasing the sterics of the borane from phenyl to duryl enabled the selective generation and isolation of the highly colored silylborane intermediates. Theoretical studies on the mechanism and energetics of the silaborinine formation were fully consistent with the experimental observations.
Ein Thermometer, das auch wehtun kann
Authors: Groß Michael 
Published: October 2016

AbstractUnser inneres Thermometer, das uns frösteln und schwitzen lässt, reagiert auch auf “kühles” Menthol und scharfe Chili‐Schoten. Es beruht auf Membranrezeptoren – ähnlich wie unser Sehen, Schmecken und Riechen. Deren molekulare Verknüpfungen umfassen auch Schmerzleitung und ‐linderung. Mögliche medizinische Implikationen reichen von Prostatakrebs bis zu Epilepsie.
Assessment of Respiratory Distress by the Roth Score
Authors: Chorin Ehud , Padegimas Allison , Havakuk Ofer , Birati Edo Y. , Shacham Yacov , Milman Anat , Topaz Guy , Flint Nir , Keren Gad , Rogowski Ori 
Published: October 2016

IntroductionHealth care demand is increasing due to greater longevity of patients with chronic comorbidities. This increasing demand is occurring in a setting of resource scarcity. To address these changes, high‐value care initiatives, such as telemedicine, are valuable resource‐preservation strategies. This study introduces the Roth score as a telemedicine tool that uses patient counting times to accurately risk‐stratify dyspnea severity in terms of hypoxia.HypothesisThe Roth score has correlation with dyspnea severity.MethodsThis is a prospective, controlled‐cohort study. Roth score index is measured by having the patient count from 1 to 30 in their native language, in a single breath, as rapidly as possible. The primary result of the Roth score is the duration of time and the highest number reached.ResultsThere was a strongly positive correlation between pulse oximetry and both maximal count achieved in 1 breath (r = 0.67; P < 0.001) and counting time (r = 0.59; P < 0.001). For oxygen saturation <95%, the maximal count number area under the curve is 0.828 and counting time area under the curve is 0.764. Counting time >8 seconds had a sensitivity of 78% and specificity of 73% for pulse oximetry <95%.ConclusionsThe Roth score has strong correlation with dyspnea severity as determined by hypoxia. This tool is reproducible, low resource‐utilization, and amenable to telemedicine. It is not intended to replace full clinical workup and diagnosis of respiratory distress, but it is useful in risk‐stratifying severity of dyspnea that warrants further clinical evaluation.
Carboxymethylinulin–Chitosan Nanoparticles for the Delivery of Antineoplastic Mitoxantrone
Authors: Merli Daniele , Pivi Fabrizio , Profumo Antonella , Quadrelli Paolo , Milanese Chiara , Risi Giulia , Visai Livia 
Published: October 2016

AbstractMitoxantrone (MTX) is an antineoplastic agent whose use is limited by serious side effects on non‐neoplastic cells. The aim of this study was the development of a new drug release system using an ionotropic gelation technique for microencapsulation of MTX in chitosan–carboxymethylinulin nanoparticles (CCInp), followed by evaluation of their cytotoxic effects on neoplastic MDA‐MB‐231 and non‐neoplastic NIH3T3 cell lines. The CCInp were prepared through a new reliable method for easy functionalization of both inulin and chitosan. Both unloaded and drug‐loaded nanoparticles were characterized by transmission electron microscopy (TEM) and dynamic light scattering (DLS) and showed a spherical morphology with an average hydrodynamic diameter between 40 and 80 nm. Both nanoparticles were stable and easily degraded by lysozyme. MTX‐loaded nanoparticles led to a greater mortality of MDA‐MB‐231 relative to free drug due to the ability of the nanoparticles to accumulate preferentially in neoplastic cells. The developed drug release system retains the ability to kill MDA‐MB‐231 cells in vitro, improving the survival of NIH3T3 cells.
A quasi‐3D wire approach to model pulmonary airflow in human airways
Authors: Kannan Ravishekar , Chen Z. J. , Singh Narender , Przekwas Andrzej , Delvadia Renishkumar , Tian Geng , Walenga Ross 
Published: October 2016

AbstractThe models used for modeling the airflow in the human airways are either 0‐dimensional compartmental or full 3‐dimensional (3D) computational fluid dynamics (CFD) models. In the former, airways are treated as compartments, and the computations are performed with several assumptions, thereby generating a low‐fidelity solution. The CFD method displays extremely high fidelity since the solution is obtained by solving the conservation equations in a physiologically consistent geometry. However, CFD models (1) require millions of degrees of freedom to accurately describe the geometry and to reduce the discretization errors, (2) have convergence problems, and (3) require several days to simulate a few breathing cycles. In this paper, we present a novel, fast‐running, and robust quasi‐3D wire model for modeling the airflow in the human lung airway. The wire mesh is obtained by contracting the high‐fidelity lung airway surface mesh to a system of connected wires, with well‐defined radii. The conservation equations are then solved in each wire. These wire meshes have around O(1000) degrees of freedom and hence are 3000 to 25 000 times faster than their CFD counterparts. The 3D spatial nature is also preserved since these wires are contracted out of the actual lung STL surface. The pressure readings between the 2 approaches showed minor difference (maximum error = 15%). In general, this formulation is fast and robust, allows geometric changes, and delivers high‐fidelity solutions. Hence, this approach has great potential for more complicated problems including modeling of constricted/diseased lung sections and for calibrating the lung flow resistances through parameter inversion.
Computational design and engineering of polymeric orthodontic aligners
Authors: Barone S. , Paoli A. , Razionale A. V. , Savignano R. 
Published: October 2016

AbstractTransparent and removable aligners represent an effective solution to correct various orthodontic malocclusions through minimally invasive procedures. An aligner‐based treatment requires patients to sequentially wear dentition‐mating shells obtained by thermoforming polymeric disks on reference dental models. An aligner is shaped introducing a geometrical mismatch with respect to the actual tooth positions to induce a loading system, which moves the target teeth toward the correct positions. The common practice is based on selecting the aligner features (material, thickness, and auxiliary elements) by only considering clinician's subjective assessments.In this article, a computational design and engineering methodology has been developed to reconstruct anatomical tissues, to model parametric aligner shapes, to simulate orthodontic movements, and to enhance the aligner design. The proposed approach integrates computer‐aided technologies, from tomographic imaging to optical scanning, from parametric modeling to finite element analyses, within a 3‐dimensional digital framework.The anatomical modeling provides anatomies, including teeth (roots and crowns), jaw bones, and periodontal ligaments, which are the references for the down streaming parametric aligner shaping. The biomechanical interactions between anatomical models and aligner geometries are virtually reproduced using a finite element analysis software. The methodology allows numerical simulations of patient‐specific conditions and the comparative analyses of different aligner configurations.In this article, the digital framework has been used to study the influence of various auxiliary elements on the loading system delivered to a maxillary and a mandibular central incisor during an orthodontic tipping movement. Numerical simulations have shown a high dependency of the orthodontic tooth movement on the auxiliary element configuration, which should then be accurately selected to maximize the aligner's effectiveness.
WLAN interference self‐optimization using som neural networks
Authors: Yao Haipeng , Yang Hao , Zhang Anqi , Fang Chao , Guo Yiru 
Published: October 2016

SummaryIn order to suppress the interference in local area networks, this paper presents a Wireless Local Area Networks (WLAN) interference self‐optimization method based on a Self‐Organizing Feature Map (SOM) neural network model. This method trains the model by using original data sets as the initial vector set and using the whole Signal to Interference plus Noise Ratio (SINR) vector generated by the change of one Wireless Access Point (AP) channel as the basic feature. After the training, the SOM neural network can quickly locate the fault AP and optimize the network according to the changes of the network environment. Simulation results reveal that the proposed scheme can efficiently locate the AP where interference happens and optimize the interference with an improved user experience. Copyright © 2016 John Wiley & Sons, Ltd.
A compact parallel algorithm for spherical Delaunay triangulations
Authors: Prill Florian , Zängl Günther 
Published: October 2016

SummaryWe present a data‐parallel algorithm for the construction of Delaunay triangulations on the sphere. Our method combines a variant of the classical Bowyer–Watson point insertion algorithm with the recently published parallelization technique by Jacobsen et al. It resolves a breakdown situation of the latter approach and is suitable for practical implementation because of its compact formulation. Some complementary aspects are discussed such as the parallel workload and floating‐point arithmetics. In a second step, the generated triangulations are reordered by a stripification algorithm. This improves cache performance and significantly reduces data‐read operations and indirect addressing in multi‐threaded stencil loops. This paper is an extended version of our Parallel Processing and Applied Mathematics conference contribution. Copyright © 2016 John Wiley & Sons, Ltd.
Synthetic, Optical and Theoretical Study of Alternating Ethylenedioxythiophene–Pyridine Oligomers: Evolution from Planar Conjugated to Helicoidal Structure towards a Chiral Configuration
Authors: Chevallier Floris , Charlot Marina , Mongin Florence , Champagne Benoît , Franz Edith , Clays Koen , Blanchard‐Desce Mireille 
Published: October 2016

AbstractA series of alternating 3,4‐ethylenedioxythiophene–alkynylpyridine oligomers (DA)n with increased solubility are synthesized and their photophysical properties and nonlinear optical properties are investigated. Their quadratic polarizabilities are determined from hyper‐Rayleigh scattering experiments to obtain information on their conformations in solution. These chromophores, based on the alternation of electron‐rich (D) and electron‐deficient (A) moieties, exhibit optical properties that arise from the combination of dipolar and helicoidal features in the (DA)n homologue series where n=1–4. The transition from dipolar conjugated planar structures (n=1, 2) to helicoidal structures (n=3, 4) is clearly evidenced by results from symmetry‐sensitive second‐order nonlinear optical experiments. This suggests an approach towards highly efficient chiral chromophores for second‐order nonlinear optics. Interestingly, this structural evolution also has significant impact on the photophysical properties: both absorption and fluorescence emission show bathochromic and hyperchromic shifts with increasing number of repeating units in the dipolar planar derivatives (n=1–2) but show saturation effects in the helicoidal structures (n=2–4). In addition, the helicoidal structures show sizeable two‐photon absorption at 700–750 nm (40–100 GM) for compounds lacking either electron‐donating or electron‐withdrawing substituents.
3D Cathodes of Cupric Oxide Nanosheets Coated onto Macroporous Antimony‐Doped Tin Oxide for Photoelectrochemical Water Splitting
Authors: Wang Xu‐Dong , Xu Yang‐Fan , Chen Bai‐Xue , Zhou Ning , Chen Hong‐Yan , Kuang Dai‐Bin , Su Cheng‐Yong 
Published: October 2016

AbstractCupric oxide (CuO), a narrow‐bandgap semiconductor, has a band alignment that makes it an ideal photocathode for the renewable production of solar fuels. However, the photoelectrochemical performance of CuO is limited by its poor conductivity and short electron diffusion lengths. Herein, a three‐dimensional (3D) architecture consisting of CuO nanosheets supported onto transparent conducting macroporous antimony‐doped tin oxide (mpATO@CuONSs) is designed as an excellent photocathode for promoting the hydrogen evolution reaction (HER). Owing to the 3D structure affording superior light‐harvesting characteristics, large contact areas with the electrolyte, and highly conductive pathways for separation and transport of charge carriers, the mpATO@CuONSs photocathode produces an impressively high photocurrent density of −4.6 mA cm−2 at 0 V versus the reversible hydrogen electrode (RHE), which is much higher than that of the CuONSs array onto planar FTO glass (−1.9 mA cm−2).
A 0.008‐mm2, 35‐μW, 8.87‐ps‐resolution CMOS time‐to‐digital converter using dual‐slope architecture
Authors: Kim Yeomyung , Shon Doohyun , Kim Tae Wook 
Published: October 2016

SummaryThis paper presents a high resolution time‐to‐digital converter (TDC) for low‐area applications. To achieve both high resolution and low circuit area, we propose a dual‐slope voltage‐domain TDC, which is composed of a time‐to‐voltage converter (TVC) and an analog‐to‐digital converter (ADC). In the TVC, a current source and a capacitor are used to make the circuit as simple as possible. For the same reason, a single‐slope ADC, which is commonly used for compact area ADC applications, is adapted and optimized. Because the main non‐linearity occurs in the current source of the TVC and the ramp generator of the ADC, a double gain‐boosting current source is applied to overcome the low output impedance of the current source in the sub‐100‐nm CMOS process. The prototype TDC is implemented using a 65‐nm CMOS process, and occupies only 0.008 mm2. The measurement result shows a dynamic range with an 8‐bit 8.86‐ps resolution and an integrated non‐linearity of ±1.25 LSB. Copyright © 2016 John Wiley & Sons, Ltd.
Minocycline causes widespread cell death and increases microglial labeling in the neonatal mouse brain
Authors: Strahan J. Alex , Walker William H. , Montgomery Taylor R. , Forger Nancy G. 
Published: October 2016

ABSTRACTMinocycline, an antibiotic of the tetracycline family, inhibits microglia in many paradigms and is among the most commonly used tools for examining the role of microglia in physiological processes. Microglia may play an active role in triggering developmental neuronal cell death, although findings have been contradictory. To determine whether microglia influence developmental cell death, we treated perinatal mice with minocycline (45 mg/kg) and quantified effects on dying cells and microglial labeling using immunohistochemistry for activated caspase‐3 (AC3) and ionized calcium‐binding adapter molecule 1 (Iba1), respectively. Contrary to our expectations, minocycline treatment from embryonic day 18 to postnatal day (P)1 caused a > tenfold increase in cell death 8 h after the last injection in all brain regions examined, including the primary sensory cortex, septum, hippocampus and hypothalamus. Iba1 labeling was also increased in most regions. Similar effects, although of smaller magnitude, were seen when treatment was delayed to P3–P5. Minocycline treatment from P3 to P5 also decreased overall cell number in the septum at weaning, suggesting lasting effects of the neonatal exposure. When administered at lower doses (4.5 or 22.5 mg/kg), or at the same dose 1 week later (P10‐P12), minocycline no longer increased microglial markers or cell death. Taken together, the most commonly used microglial “inhibitor” increases cell death and Iba1 labeling in the neonatal mouse brain. Minocycline is used clinically in infant and pediatric populations; caution is warrented when using minocycline in developing animals, or extrapolating the effects of this drug across ages. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 753–766, 2017
Landscape genetic approaches to guide native plant restoration in the Mojave Desert
Authors: Shryock Daniel F. , Havrilla Caroline A. , DeFalco Lesley A. , Esque Todd C. , Custer Nathan A. , Wood Troy E. 
Published: October 2016

AbstractRestoring dryland ecosystems is a global challenge due to synergistic drivers of disturbance coupled with unpredictable environmental conditions. Dryland plant species have evolved complex life‐history strategies to cope with fluctuating resources and climatic extremes. Although rarely quantified, local adaptation is likely widespread among these species and potentially influences restoration outcomes. The common practice of reintroducing propagules to restore dryland ecosystems, often across large spatial scales, compels evaluation of adaptive divergence within these species. Such evaluations are critical to understanding the consequences of large‐scale manipulation of gene flow and to predicting success of restoration efforts. However, genetic information for species of interest can be difficult and expensive to obtain through traditional common garden experiments. Recent advances in landscape genetics offer marker‐based approaches for identifying environmental drivers of adaptive genetic variability in non‐model species, but tools are still needed to link these approaches with practical aspects of ecological restoration. Here, we combine spatially explicit landscape genetics models with flexible visualization tools to demonstrate how cost‐effective evaluations of adaptive genetic divergence can facilitate implementation of different seed sourcing strategies in ecological restoration. We apply these methods to Amplified Fragment Length Polymorphism (AFLP) markers genotyped in two Mojave Desert shrub species of high restoration importance: the long‐lived, wind‐pollinated gymnosperm Ephedra nevadensis, and the short‐lived, insect‐pollinated angiosperm Sphaeralcea ambigua. Mean annual temperature was identified as an important driver of adaptive genetic divergence for both species. Ephedra showed stronger adaptive divergence with respect to precipitation variability, while temperature variability and precipitation averages explained a larger fraction of adaptive divergence in Sphaeralcea. We describe multivariate statistical approaches for interpolating spatial patterns of adaptive divergence while accounting for potential bias due to neutral genetic structure. Through a spatial bootstrapping procedure, we also visualize patterns in the magnitude of model uncertainty. Finally, we introduce an interactive, distance‐based mapping approach that explicitly links marker‐based models of adaptive divergence with local or admixture seed sourcing strategies, promoting effective native plant restoration.
Land‐use change promotes avian diversity at the expense of species with unique traits
Authors: Coetzee Bernard W. T. , Chown Steven L. 
Published: October 2016

AbstractLand‐use change may alter both species diversity and species functional diversity patterns. To test the idea that species diversity and functional diversity changes respond in differing ways to land‐use changes, we characterize the form of the change in bird assemblages and species functional traits along an intensifying gradient of land use in the savanna biome in a historically homogeneous vegetation type in Phalaborwa, South Africa. A section of this vegetation type has been untransformed, and the remainder is now mainly characterized by urban and subsistence agricultural areas. Using morphometric, foraging and breeding functional traits of birds, we estimate functional diversity changes. Bird species richness and abundance are generally higher in urban and subsistence agricultural land uses, as well as in the habitat matrix connecting these regions, than in the untransformed area, a pattern mainly driven through species replacement. Functionally unique species, particularly ground nesters of large body size, were, however, less abundant in more utilized land uses. For a previously homogenous vegetation type, declines in the seasonality of energy availability under land‐use change have led to an increase in local avian diversity, promoting the turnover of species, but reduced the abundance of functionally unique species. Although there is no simple relationship between land‐use and diversity change, land‐use change may suit some species, but such change may also involve functional homogenization.