bluuebunny/crossref_metadata_2025_split huggingface dataset:
Superoxide Formation on Isolated Cationic Gold Clusters
Authors: Woodham Alex P. , Fielicke André 
Published: May 2014

AbstractGold nanoparticles are known to be highly versatile oxidation catalysts utilizing molecular oxygen as a feedstock, but the mechanism and species responsible for activating oxygen remain unclear. The reaction between unsupported cationic gold clusters and molecular oxygen has been investigated. The resulting complexes were characterized in the gas phase using IR spectroscopy. A strong red‐shift in the observed ν(O‐O) stretching frequency indicates the formation of superoxo (O2−) moieties. These moieties are seen to form spontaneously in systems, which upon electron transfer attain a closed shell within the spherical jellium model (Au10+ and Au22+), whereas an oxygen induced self‐promotion in the activation is observed for other systems (Au4+, Au12+, Au21+).
Tandem Organocatalysis and Photocatalysis: An Anthraquinone‐Catalyzed Indole‐C3‐Alkylation/Photooxidation/1,2‐Shift Sequence
Authors: Lerch Stephanie , Unkel Lisa‐Natascha , Brasholz Malte 
Published: May 2014

AbstractQuinones exhibit orthogonal ground‐ and excited‐state reactivities and are therefore highly suitable organocatalysts for the development of sequential catalytic processes. Herein, the discovery of an anthraquinone‐catalyzed thermal indole‐C3‐alkylation with benzylamines is described, which can be combined sequentially with a new visible‐light‐driven catalytic photooxidation/1,2‐shift reaction. The one‐flask tandem process converts indoles into 3‐benzylindole intermediates, which are further transformed into new fluorescent 2,2‐disubstituted indoline‐3‐one derivatives.
Organocatalytic Oxidative Annulation of Benzamide Derivatives with Alkynes
Authors: Manna Srimanta , Antonchick Andrey P. 
Published: May 2014

AbstractOrganocatalytic annulation by functionalization of benzamide derivatives with alkynes has been developed. We report a new approach of cycloaddition under mild reaction conditions using simple catalysts, such as iodobenzene and peracetic acid, as oxidant. Those novel, mild reaction conditions provided a straightforward synthesis of isoquinolones with fast reaction rate. Notable selectivity in annulation of unsymmetrically disubstituted alkynes was demonstrated.
FGFR3 expression in primary and metastatic urothelial carcinoma of the bladder
Authors: Guancial Elizabeth A. , Werner Lillian , Bellmunt Joaquim , Bamias Aristotle , Choueiri Toni K. , Ross Robert , Schutz Fabio A. , Park Rachel S. , O'Brien Robert J. , Hirsch Michelle S. , Barletta Justine A. , Berman David M. , Lis Rosina , Loda Massimo , Stack Edward C. , Garraway Levi A. , Riester Markus , Michor Franziska , Kantoff Philip W. , Rosenberg Jonathan E. 
Published: May 2014

AbstractWhile fibroblast growth factor receptor 3 (FGFR3) is frequently mutated or overexpressed in nonmuscle‐invasive urothelial carcinoma (UC), the prevalence of FGFR3 protein expression and mutation remains unknown in muscle‐invasive disease. FGFR3 protein and mRNA expression, mutational status, and copy number variation were retrospectively analyzed in 231 patients with formalin‐fixed paraffin‐embedded primary UCs, 33 metastases, and 14 paired primary and metastatic tumors using the following methods: immunohistochemistry, NanoString nCounterTM, OncoMap or Affymetrix OncoScanTM array, and Gain and Loss of Analysis of DNA and Genomic Identification of Significant Targets in Cancer software. FGFR3 immunohistochemistry staining was present in 29% of primary UCs and 49% of metastases and did not impact overall survival (P = 0.89, primary tumors; P = 0.78, metastases). FGFR3 mutations were observed in 2% of primary tumors and 9% of metastases. Mutant tumors expressed higher levels of FGFR3 mRNA than wild‐type tumors (P < 0.001). FGFR3 copy number gain and loss were rare events in primary and metastatic tumors (0.8% each; 3.0% and 12.3%, respectively). FGFR3 immunohistochemistry staining is present in one third of primary muscle‐invasive UCs and half of metastases, while FGFR3 mutations and copy number changes are relatively uncommon.
A personality model for animating heterogeneous traffic behaviors
Authors: Lu Xuequan , Wang Zonghui , Xu Mingliang , Chen Wenzhi , Deng Zhigang 
Published: May 2014

ABSTRACTHow to automatically generate realistic and heterogeneous traffic behaviors has been a much needed yet challenging problem for numerous traffic simulation and urban planning applications. In this paper, we propose a novel approach to model heterogeneous traffic behaviors by adapting a well‐established personality trait model (i.e., Eysenck's PEN (psychoticism, extraversion and neuroticism) model) into widely used traffic simulation approaches. First, we collected a large amount of user feedback while users watch a variety of computer‐generated traffic simulation video clips. Then, we trained regression models to bridge low‐level traffic simulation parameters and high‐level perceived traffic behaviors (i.e., adjectives according to the PEN model and the three PEN traits). We also conducted an additional user study to validate the effectiveness and usefulness of our approach, in particular, high correlation coefficients and the Pearson values between users’ feedback and our model predictions prove the effectiveness of our approach. Furthermore, our approach can also produce interesting emergent traffic patterns including faster‐is‐slower effect and sticking‐in‐a‐pin‐wherever‐there‐is‐room effect. Copyright © 2014 John Wiley & Sons, Ltd.
Magnetic Properties and Electronic Structure of Neptunyl(VI) Complexes: Wavefunctions, Orbitals, and Crystal‐Field Models
Authors: Gendron Frédéric , Páez‐Hernández Dayán , Notter François‐Paul , Pritchard Ben , Bolvin Hélène , Autschbach Jochen 
Published: May 2014

AbstractThe electronic structure and magnetic properties of neptunyl(VI), NpO22+, and two neptunyl complexes, [NpO2(NO3)3]− and [NpO2Cl4]2−, were studied with a combination of theoretical methods: ab initio relativistic wavefunction methods and density functional theory (DFT), as well as crystal‐field (CF) models with parameters extracted from the ab initio calculations. Natural orbitals for electron density and spin magnetization from wavefunctions including spin–orbit coupling were employed to analyze the connection between the electronic structure and magnetic properties, and to link the results from CF models to the ab initio data. Free complex ions and systems embedded in a crystal environment were studied. Of prime interest were the electron paramagnetic resonance g‐factors and their relation to the complex geometry, ligand coordination, and nature of the nonbonding 5f orbitals. The g‐factors were calculated for the ground and excited states. For [NpO2Cl4]2−, a strong influence of the environment of the complex on its magnetic behavior was demonstrated. Kohn–Sham DFT with standard functionals can produce reasonable g‐factors as long as the calculation converges to a solution resembling the electronic state of interest. However, this is not always straightforward.
Fabrication of Surface‐Patterned Membranes by Means of a ZnO Nanorod Templating Method for Polymer Electrolyte Membrane Fuel‐Cell Applications
Authors: Chi Won Seok , Jeon Yukwon , Park Se Jun , Kim Jong Hak , Shul Yong‐Gun 
Published: May 2014

AbstractSurface‐patterned Nafion films were prepared by using different types of ZnO nanorods as templates for polymer electrolyte membrane fuel‐cell (PEMFC) applications. Varying the concentrations of the Zn precursor produced ZnO nanorods with different diameters and pore sizes in the Nafion films. The surface‐tuned structure of the films improved fuel‐cell performance owing to effective Pt loading on the membranes through an enhancement in surface area. Also, the interconnected morphology resulted in a reduction in charge‐transfer resistance at the interface between the electrode and membrane. The optimum surface‐patterned Nafion film recorded a current density of 1.19 A cm−2 at 0.6 V and a maximum power density of 0.95 W cm−2. These values are much higher than those of non‐patterned Nafion (0.85 A cm−2 and 0.59 W cm−2, respectively). We expect that the patterning process using ZnO nanorod templates will improve the performance of any electrochemical device by allowing for the tuning of the interfacial resistance.
Spatial sampling on streams: principles for inference on aquatic networks
Authors: Som Nicholas A. , Monestiez Pascal , Ver Hoef Jay M. , Zimmerman Dale L. , Peterson Erin E. 
Published: May 2014

AbstractFor ecological and environmental data, prior inquiries into spatial sampling designs have considered two‐dimensional domains and have shown that design optimality depends on the characteristics of the target spatial domain and intended inference. The structure and water‐driven continuity of streams prompted the development of spatial autocovariance models for stream networks. The unique properties of stream networks, and their spatial processes, warrant evaluation of sampling design characteristics in comparison with their two‐dimensional counterparts. Common inference scenarios in stream networks include spatial prediction, estimation of fixed effects parameters, and estimation of autocovariance parameters, with prediction and fixed effects estimation most commonly coupled with autocovariance parameter estimation. We consider these inference scenarios under a suite of network characteristics and stream‐network spatial processes. Our results demonstrate, for parameter estimation and prediction, the importance of collecting samples from specific network locations. Additionally, our results mirror aspects from the prior two‐dimensional sampling design inquiries, namely, the importance of collecting some samples within clusters when autocovariance parameter estimation is required. These results can be applied to help refine sample site selection for future studies and further showcase that understanding the characteristics of the targeted spatial domain is essential for sampling design planning. Published 2014. This article has been contributed to by US Government employees and their work is in the public domain in the USA.
Clinical significance of integrin β6 as a tumor recurrence factor in follicular thyroid carcinoma
Authors: Zhuang Zhuo‐nan , Xu Zhen‐jie , Zhou Qian , Xu Xiao‐zhou , Tian Jessie , Liu Yan‐feng , Guo Sen , Wang Jia‐yong , Xu Ke‐sen 
Published: May 2014

AbstractBackgroundOverexpression of integrin β6 plays an important role in a variety of malignant tumor invasion and metastasis.MethodsThe expression levels of integrin β6, matrix metalloproteinase (MMP)‐2 and MMP‐9 were analyzed by immunohistochemistry with human follicular thyroid carcinomas. Then we investigated their correlation with clinical outcomes parameters, relationship, and the survival time.ResultsThe integrin β6 staining was expressed in cellular membrane and cytoplasm of follicular thyroid carcinoma cells. The MMP‐2 and MMP‐9 expressions were mainly found in cellular cytoplasm. In correlation with the clinical outcome parameters of 60 patients, there were significant statistical differences of integrin β6, MMP‐2, and MMP‐9 expression levels in different size of tumor. Integrin β6 and MMP‐9 expressions have significant statistical differences in T classifications. MMP‐2 and MMP‐9 expressions have significant statistical differences in different M classification. Other clinical outcome parameters had no significant statistical differences.ConclusionIntegrin β6 expression correlated significantly with MMP‐9 expression, and may be a valuable recurrence indicator for follicular thyroid carcinomas. © 2014 Wiley Periodicals, Inc. Head Neck 37: 1439–1447, 2015
Uncertainty analysis of flood inundation modelling using GLUE with surrogate models in stochastic sampling
Authors: Yu J. J. , Qin X. S. , Larsen O. 
Published: May 2014

AbstractA generalized likelihood uncertainty estimation (GLUE) method incorporating moving least squares (MLS) with entropy for stochastic sampling (denoted as GLUE‐MLS‐E) was proposed for uncertainty analysis of flood inundation modelling. The MLS with entropy (MLS‐E) was established according to the pairs of parameters/likelihoods generated from a limited number of direct model executions. It was then applied to approximate the model evaluation to facilitate the target sample acceptance of GLUE during the Monte‐Carlo‐based stochastic simulation process. The results from a case study showed that the proposed GLUE‐MLS‐E method had a comparable performance as GLUE in terms of posterior parameter estimation and predicted confidence intervals; however, it could significantly reduce the computational cost. A comparison to other surrogate models, including MLS, quadratic response surface and artificial neural networks (ANN), revealed that the MLS‐E outperformed others in light of both the predicted confidence interval and the most likely value of water depths. ANN was shown to be a viable alternative, which performed slightly poorer than MLS‐E. The proposed surrogate method in stochastic sampling is of practical significance in computationally expensive problems like flood risk analysis, real‐time forecasting, and simulation‐based engineering design, and has a general applicability in many other numerical simulation fields that requires extensive efforts in uncertainty assessment. Copyright © 2014 John Wiley & Sons, Ltd.
Human aquaporin‐11 is a water and glycerol channel and localizes in the vicinity of lipid droplets in human adipocytes
Authors: Madeira Ana , Fernández‐Veledo Sonia , Camps Marta , Zorzano Antonio , Moura Teresa F. , Ceperuelo‐Mallafré Victoria , Vendrell Joan , Soveral Graça 
Published: May 2014

ABSTRACTObjectiveFor a long time Aquaporin‐7 has been the only aquaporin associated with the adipose tissue, and its dysregulation has been linked to the underlying mechanisms of obesity. However, the presence of alternative glycerol channels within the adipose tissue has been postulated, which has prompted us to the search of alternate glycerol transport routes in adipocytes. In view of this, it is hypothesized that Aquaporin‐11 (AQP11) would have a role in adipocyte cell biology.MethodsThe expression, the localization and the function of human AQP11 (hAQP11) in cultured differentiated adipocytes were investigated.ResultsGene expression analysis revealed the presence of AQP11 in both subcutaneous and visceral human mature adipocytes. It is found that hAQP11 is primarily located intracellularly in human adipocytes and partially colocalizes with perilipin, pointing towards AQP11 preferential location in the vicinity of lipid droplets. Overexpression of hAQP11 in 3T3‐L1 adipocytes enabled to validate its function as a water channel and reveal its glycerol permeation activity.ConclusionshAQP11 permeates both water and glycerol, localizing in the vicinity of lipid droplets in human adipocytes.
Preparation and Properties of Submicrometer‐Sized LLM‐105 via Spray‐Crystallization Method
Authors: Zhang Juan , Wu Peng , Yang Zhijian , Gao Bin , Zhang Jianhu , Wang Ping , Nie Fude , Liao Longyu 
Published: May 2014

AbstractSubmicrometer‐sized 2,6‐diamino‐3,5‐dinitropyrazine‐1‐oxide (LLM‐105) crystals were prepared by spray‐crystallization method with dimethyl sulfoxide (DMSO) and ultra‐pure water with surfactant as the solvent and anti solvent, respectively. Submicrometer‐sized LLM‐105 particles were characterized by scanning electron microscopy (SEM), X‐ray diffraction (XRD), and particle size analysis. The thermal stability and sensitivity properties of submicrometer‐sized LLM‐105 were also investigated. The results revealed that the submicrometer‐sized LLM‐105 particles are spherelike in morphology with a narrow particle size distribution at the range of 100–600 nm. The submicrometer‐sized LLM‐105 has a lower exothermic peak at about 343.7 °C compared with the synthesized material. Sensitivity tests showed that submicrometer‐sized LLM‐105 is more insensitive under impact stimulus with a drop height (H50) of 102 cm. The submicrometer‐sized LLM‐105‐based PBX is more sensitive for short impulse shock wave that can be initiated at lower initiation current.
Stimulating antitumor immunity with nanoparticles
Authors: Sheen Mee Rie , Lizotte Patrick H. , Toraya‐Brown Seiko , Fiering Steven 
Published: May 2014

AbstractA variety of strategies, have been applied to cancer treatment and the most recent one to become prominent is immunotherapy. This interest has been fostered by the demonstration that the immune system does recognize and often eliminate small tumors but tumors that become clinical problems block antitumor immune responses with immunosuppression orchestrated by the tumor cells. Methods to reverse this tumor‐mediated immunosuppression will improve cancer immunotherapy outcomes. The immunostimulatory potential of nanoparticles (NPs), holds promise for cancer treatment. Phagocytes of various types are an important component of both immunosuppression and immunostimulation and phagocytes actively take up NPs of various sorts, so NPs are a natural system to manipulate these key immune regulatory cells. NPs can be engineered with multiple useful therapeutic features, such as various payloads such as antigens and/or immunomodulatory agents including cytokines, ligands for immunostimulatory receptors or antagonists for immunosuppressive receptors. As more is learned about how tumors suppress antitumor immune responses the payload options expand further. Here we review multiple approaches of NP‐based cancer therapies to modify the tumor microenvironment and stimulate innate and adaptive immune systems to obtain effective antitumor immune responses.This article is categorized under:

Therapeutic Approaches and Drug Discovery > Nanomedicine for Oncologic Disease
Nanotechnology Approaches to Biology > Nanoscale Systems in Biology
Estimation of dispersal ability responding to environmental conditions: larval dispersal of the flightless firefly, Luciola parvula (Coleoptera: Lampyridae)
Authors: Kakehashi Kohei , Kuranishi Ryoichi B. , Kamata Naoto 
Published: May 2014

AbstractWe provided an extensional method for diffusion equation models so far presented to cover cases where diffusion coefficients temporally change. We applied this method to data sampled from mark recapture surveys to estimate the natural mean dispersal distance and diffusion coefficients of terrestrial firefly larvae, Luciola parvula Kiesenwetter (Coleoptera: Lampyridae: Luciolinae). The surveys were conducted twice (December 2009 and March–April 2010) on a Cryptomeria plantation where 100 traps were placed in a lattice pattern at 30 cm intervals (10 × 10). Marked larvae were released at the center of the lattice, and the number of recaptures was recorded. Larval dispersal became remarkably active on the first night with rainfall as well as on the following day. The estimated natural mean dispersal distances (±SE) were 100.7 (±18.4) cm (December) and 245.4 (±700.0) cm (March–April). The diffusion coefficients just after rainfall were estimated to increase by 14.2 (±6.1) times (December) and 106.0 (±55.9) times (March–April) (±SE). Larvae were expected to disperse no further from where their eggs were laid. Most of their dispersing activity took place just after rainfall. Our extensional method was able to effectively illustrate that larval dispersal was affected by rainfall. This method can be usefully applied to any other species that disperses according to environmental conditions.
Population and habitat assessment of the Critically Endangered hirola Beatragus hunteri in Tsavo East National Park, Kenya
Authors: Probert James , Evans Ben , Andanje Sam , Kock Richard , Amin Rajan 
Published: May 2014

AbstractThe Critically Endangered hirola Beatragus hunteri exists in two populations, a natural population on the Kenyan–Somali border and a translocated population in Tsavo East National Park, Kenya. The Tsavo population is becoming increasingly important for the survival of the hirola yet its status is unknown and little is understood about the factors that limit its growth. Here we report the size, distribution and demographic parameters of the Tsavo population of hirola and consider whether insufficient suitable habitat could be limiting its growth. The Tsavo population has not increased since 2000, when the last census was carried out, but neither has it significantly decreased. The importance of habitat as a limiting factor is dependent on the hirola's ability to utilize marginal habitat.
Pushdown flow analysis with abstract garbage collection
Authors: JOHNSON J. IAN , SERGEY ILYA , EARL CHRISTOPHER , MIGHT MATTHEW , VAN HORN DAVID 
Published: May 2014

AbstractIn the static analysis of functional programs, pushdown flow analysis and abstract garbage collection push the boundaries of what we can learn about programs statically. This work illuminates and poses solutions to theoretical and practical challenges that stand in the way of combining the power of these techniques. Pushdown flow analysis grants unbounded yet computable polyvariance to the analysis of return-flow in higher-order programs. Abstract garbage collection grants unbounded polyvariance to abstract addresses which become unreachable between invocations of the abstract contexts in which they were created. Pushdown analysis solves the problem of precisely analyzing recursion in higher-order languages; abstract garbage collection is essential in solving the “stickiness” problem. Alone, our benchmarks demonstrate that each method can reduce analysis times and boost precision by orders of magnitude. We combine these methods. The challenge in marrying these techniques is not subtle: computing the reachable control states of a pushdown system relies on limiting access during transition to the top of the stack; abstract garbage collection, on the other hand, needs full access to the entire stack to compute a root set, just as concrete collection does. Conditional pushdown systems were developed for just such a conundrum, but existing methods are ill-suited for the dynamic nature of garbage collection. We show fully precise and approximate solutions to the feasible paths problem for pushdown garbage-collecting control-flow analysis. Experiments reveal synergistic interplay between garbage collection and pushdown techniques, and the fusion demonstrates “better-than-both-worlds” precision.
Pathogenic potential of interferon αβ in acute influenza infection
Authors: Davidson Sophia , Crotta Stefania , McCabe Teresa M , Wack Andreas 
Published: May 2014

AbstractInfluenza symptoms vary from mild disease to death; however, determinants of severity are unclear. Type I interferons (IFNαβ) are recognized as key antiviral cytokines. Here we show that, surprisingly, influenza-infected 129 mice have increased lung damage, morbidity and mortality, yet higher levels of IFNαβ, than C57BL/6 mice. Consistently, IFNα treatment of influenza-infected C57BL/6 mice increases morbidity. IFNαβ receptor deficiency in 129 mice decreases morbidity, lung damage, proinflammatory cytokines and lung-infiltrating inflammatory cells, and reduces expression of the death-inducing receptor DR5 on lung epithelia and its ligand TRAIL on inflammatory monocytes. Depletion of PDCA-1+ cells or interruption of TRAIL-DR5 interaction protects infected 129 mice. Selective lack of IFNαβ signalling in stromal cells abolishes epithelial DR5 upregulation and apoptosis, reducing host susceptibility. Hence, excessive IFNαβ signalling in response to acute influenza infection can result in uncontrolled inflammation and TRAIL-DR5-mediated epithelial cell death, which may explain morbidity and has important implications for treatment of severe disease.