bluuebunny/crossref_metadata_2025_split huggingface dataset:
Uncertainty in hydrological signatures for gauged and ungauged catchments
Authors: Westerberg Ida K. , Wagener Thorsten , Coxon Gemma , McMillan Hilary K. , Castellarin Attilio , Montanari Alberto , Freer Jim 
Published: February 2016

AbstractReliable information about hydrological behavior is needed for water‐resource management and scientific investigations. Hydrological signatures quantify catchment behavior as index values, and can be predicted for ungauged catchments using a regionalization procedure. The prediction reliability is affected by data uncertainties for the gauged catchments used in prediction and by uncertainties in the regionalization procedure. We quantified signature uncertainty stemming from discharge data uncertainty for 43 UK catchments and propagated these uncertainties in signature regionalization, while accounting for regionalization uncertainty with a weighted‐pooling‐group approach. Discharge uncertainty was estimated using Monte Carlo sampling of multiple feasible rating curves. For each sampled rating curve, a discharge time series was calculated and used in deriving the gauged signature uncertainty distribution. We found that the gauged uncertainty varied with signature type, local measurement conditions and catchment behavior, with the highest uncertainties (median relative uncertainty ±30–40% across all catchments) for signatures measuring high‐ and low‐flow magnitude and dynamics. Our regionalization method allowed assessing the role and relative magnitudes of the gauged and regionalized uncertainty sources in shaping the signature uncertainty distributions predicted for catchments treated as ungauged. We found that (1) if the gauged uncertainties were neglected there was a clear risk of overconditioning the regionalization inference, e.g., by attributing catchment differences resulting from gauged uncertainty to differences in catchment behavior, and (2) uncertainty in the regionalization results was lower for signatures measuring flow distribution (e.g., mean flow) than flow dynamics (e.g., autocorrelation), and for average flows (and then high flows) compared to low flows.
Iodine‐Catalyzed Oxidative Benzylic C−H Bond Amination of Azaarenes: Practical Synthesis of Quinazolin‐4(3 H)‐ones
Authors: Yang Luo , Shi Xin , Hu Ben‐Quan , Wang Li‐Xia 
Published: February 2016

AbstractAn efficient iodine‐catalyzed oxidative benzylic C−H bond amination of azaarenes to afford 2‐heteroaryl quinazolinones has been developed. This reaction utilizes unfunctionalized alkyl azaarenes as starting materials and proceeds under metal‐free conditions with dioxygen as the terminal oxidant, thus is much “greener” than the previous synthetic methods.
Enhancement of Open‐Circuit Voltage by Using the 58‐π Silylmethyl Fullerenes in Small‐Molecule Organic Solar Cells
Authors: Jeon Il , Delacou Clément , Nakagawa Takafumi , Matsuo Yutaka 
Published: February 2016

AbstractThe application of 58‐π‐1,4‐bis(silylmethyl)[60]fullerenes, C60(CH2SiMe2Ph)(CH2SiMe2Ar) (Ar=Ph and 2‐methoxylphenyl for SIMEF‐1 and SIMEF‐2, respectively), in small‐molecule organic solar cells with a diketopyrrolopyrrole donor (3,6‐bis[5‐(benzofuran‐2‐yl)thiophen‐2‐yl]‐2,5‐bis(2‐ethylhexyl)pyrrolo[3,4‐c]pyrrole‐1,4‐dione (DPP(TBFu)2)) is demonstrated. With the 58‐π‐silylmethyl fullerene acceptor, SIMEF‐1, the devices showed the highest efficiency of 4.57 % with an average of 4.10 %. They manifested an improved open‐circuit voltage (1.03 V) owing to the high‐lying LUMO level of SIMEF‐1, while maintaining a high short‐circuit density (9.91 mA cm−2) through controlling the crystallinity of DPP by thermal treatment. On the other hand, despite even higher open‐circuit voltage (1.05 V), SIMEF‐2‐based devices showed lower performances of 3.53 %, owing to a low short‐circuit current density (8.33 mA cm−2) and fill factor (0.40) arising from the asymmetric structure, which results in a lower mobility and immiscibility.
Determination of the Micromixing Scale in a Microdevice by Numerical Simulation and Experiments
Authors: Lin Xiyan , Zhang Jisong , Wang Kai , Luo Guangsheng 
Published: February 2016

AbstractA micromixing scale is proposed to characterize the micromixing performance of microdevices. It is defined to be the smallest scale within which homogenization is realized only by molecular diffusion, indicating the homogeneous mixing ability of a certain microdevice under specific operating conditions. An approach that integrates numerical simulation with experimental measurement was developed to establish the correlation between micromixing scale and segregation index. The Villermaux‐Dushman reaction was conducted in a T‐junction micromixer to determine its micromixing scales. The validity and reliability of this new approach is demonstrated by employing another parallel competing reaction based on both the simulation results and the experimental data.
16O/18O Exchange of Aldehydes and Ketones caused by H218O in the Mechanistic Investigation of Organocatalyzed Michael, Mannich, and Aldol Reactions
Authors: Hayashi Yujiro , Mukaiyama Takasuke , Benohoud Meryem , Gupta Nishant R. , Ono Tsuyoshi , Toda Shunsuke 
Published: February 2016

AbstractOrganocatalyzed Michael, Mannich, and aldol reactions of aldehydes or ketones, as nucleophiles, have triggered several discussions regarding their reaction mechanism. H218O has been utilized to determine if the reaction proceeds through an enamine or enol mechanism by monitoring the ratio of 18O incorporated into the final product. In this communication, we describe the risk of H218O as an evaluation tool for this mechanistic investigation. We have demonstrated that exchange of 16O/18O occurs in the aldehyde or ketone starting material, caused by the presence of H218O and amine catalysts, before the Michael, Mannich, and aldol reactions proceed. Because the newly generated 18O starting aldehydes or ketones and 16O water affect the incorporation ratio of 18O in the final product, the use of H218O would not be appropriate to distinguish the mechanism of these organocatalyzed reactions.
A Transition‐Metal‐Free Synthesis of Multisubstituted Imidazoles
Authors: Wu Ping , Zhang Lutao , Zhang Xueguo , Guo Xin , Chen Baohua 
Published: February 2016

AbstractA novel and simple t‐BuOLi/I2‐mediated synthesis of 1,2,4‐trisubstituted imidazoles was developed without transition‐metal added. The transition‐metal‐free strategy tolerated a range of substrates and provided products in moderate to good yields with 100% regioselectivity.
Hybrid Amine‐Functionalized Graphene Oxide as a Robust Bifunctional Catalyst for Atmospheric Pressure Fixation of Carbon Dioxide using Cyclic Carbonates
Authors: Saptal Vitthal B. , Sasaki Takehiko , Harada Kei , Nishio‐Hamane Daisuke , Bhanage Bhalchandra M. 
Published: February 2016

AbstractAn environmentally‐benign carbocatalyst based on amine‐functionalized graphene oxide (AP‐GO) was synthesized and characterized. This catalyst shows superior activity for the chemical fixation of CO2into cyclic carbonates at the atmospheric pressure. The developed carbocatalyst exhibits superior activity owing to its large surface area with abundant hydrogen bonding donor (HBD) capability and the presence of well‐defined amine functional groups. The presence of various HBD and amine functional groups on the graphene oxide (GO) surface yields a synergistic effect for the activation of starting materials. Additionally, this catalyst shows high catalytic activity to synthesize carbonates at 70 °C and at 1 MPa CO2pressure. The developed AP‐GO could be easily recovered and used repetitively in up to seven recycle runs with unchanged catalyst activity.
Evaluation of Metal‐Organic Frameworks and Porous Polymer Networks for CO2‐Capture Applications
Authors: Verdegaal Wolfgang M. , Wang Kecheng , Sculley Julian P. , Wriedt Mario , Zhou Hong‐Cai 
Published: February 2016

AbstractThis manuscript presents experimental data for 20 adsorption materials (metal–organic frameworks, porous polymer networks, and Zeolite‐5A), including CO2 and N2 isotherms and heat capacities. With input from only experimental data, working capacities per energy for each material were calculated. Furthermore, by running seven different carbon‐capture scenarios in which the initial flue‐gas composition and process temperature was systematically changed, we present a range of performances for each material and quantify how sensitive each is to these varying parameters. The presented calculations provide researchers with a tool to investigate promising carbon‐capture materials more easily and completely.
Using multispectral imaging flow cytometry to assess an in vitro intracellular Burkholderia thailandensis infection model
Authors: Jenner Dominic , Ducker Catherine , Clark Graeme , Prior Jo , Rowland Caroline A. 
Published: February 2016

AbstractThe use of in vitro models to understand the interaction of bacteria with host cells is well established. In vitro bacterial infection models are often used to quantify intracellular bacterial load by lysing cell populations and subsequently enumerating the bacteria. Modern established techniques employ the use of fluorescence technologies such as flow cytometry, fluorescent microscopy, and/or confocal microscopy. However, these techniques often lack either the quantification of large data sets (microscopy) or use of gross fluorescence signal which lacks the visual confirmation that can provide additional confidence in data sets. Multispectral imaging flow cytometry (MIFC) is a novel emerging field of technology. This technology captures a bright field and fluorescence image of cells in a flow using a charged coupled device camera. It allows the analysis of tens of thousands of single cell images, making it an extremely powerful technology. Here MIFC was used as an alternative method of analyzing intracellular bacterial infection using Burkholderia thailandensis E555 as a model organism. It has been demonstrated that the data produced using traditional enumeration is comparable to data analyzed using MIFC. It has also been shown that by using MIFC it is possible to generate other data on the dynamics of the infection model rather than viable counts alone. It has been demonstrated that it is possible to inhibit the uptake of bacteria into mammalian cells and identify differences between treated and untreated cell populations. The authors believe this to be the first use of MIFC to analyze a Burkholderia bacterial species during intracellular infection. © 2016 Crown copyright. Published by Wiley Periodicals Inc. on behalf of ISAC.
Topology evolution model for ad hoc‐cellular hybrid networks based on complex network theory
Authors: Hou Yongfu , Wei Yifei , Song Mei , Yu Richard F. 
Published: February 2016

SummarySwitching and routing are two important issues in the ad hoc‐cellular hybrid network. Frequently switching between different network modes will lead to the increase of time delay, and unreasonable routing will reduce information transmission efficiency and shorten the network life. In order to reduce the influence of these problems to the network, in this paper, we proposed a robust and efficient ad hoc network topology evolution model, which can reduce the switching probability and establish efficient transmission paths. In this model, the mobile users' residual energy, available channel quality, and the importance are taken into account. The model is based on Barrat, Barthelemy, and Vespignani model and the triad formation mechanism, which ensures the network topology have scale‐free and small‐world features. The topology construction process of the ad hoc network is composed of three parts: (i) new users join the network; (ii) new users establish connections with existing users; (iii) the connections between existing users were deleted because of the network optimization and the interference of cellular network. Simulation results show that the network built by this model with small‐world and scale‐free features has small average shortest path length and the robustness against random nodes failure, which will significantly improve the transmission efficiency and reduce the probability of switching between different transmission model. Copyright © 2016 John Wiley & Sons, Ltd.
Scale dependence of sex ratio in wild plant populations: implications for social selection
Authors: Sanderson Brian J. , Augat Malcolm E. , Taylor Douglas R. , Brodie Edmund D. 
Published: February 2016

AbstractSocial context refers to the composition of an individual's social interactants, including potential mates. In spatially structured populations, social context can vary among individuals within populations, generating the opportunity for social selection to drive differences in fitness functions among individuals at a fine spatial scale. In sexually polymorphic plants, the local sex ratio varies at a fine scale and thus has the potential to generate this opportunity. We measured the spatial distribution of two wild populations of the gynodioecious plant Silene vulgaris and show that there is fine‐scale heterogeneity in the local distribution of the sexes within these populations. We demonstrate that the largest variance in sex ratio is among nearest neighbors. This variance is greatly reduced as the spatial scale of social interactions increases. These patterns suggest the sex of neighbors has the potential to generate fine‐scale differences in selection differentials among individuals. One of the most important determinants of social interactions in plants is the behavior of pollinators. These results suggest that the potential for selection arising from sex ratio will be greatest when pollen is shared among nearest neighbors. Future studies incorporating the movement of pollinators may reveal whether and how this fine‐scale variance in sex ratio affects the fitness of individuals in these populations.
Leaf traits in Chilean matorral: sclerophylly within, among, and beyond matorral, and its environmental determinants
Authors: Read Jennifer , Sanson Gordon , Pérez Trautmann María Fernanda 
Published: February 2016

AbstractStudies of leaf traits often focus on tradeoffs between growth and resource conservation, but little is known about variation in the mechanical traits that influence resource conservation. This study investigates how leaf mechanical traits vary across matorral vegetation in central Chile, how they correlate with environmental factors, and how these trends compare at a broader geographic scale. Leaf toughness, strength, stiffness, and associated traits were measured in five matorral types in central Chile, and relationships with soil N and P and climate variables were assessed. Trends with soil and climate were then analyzed across shrubland and woodland in Chile, Western Australia, and New Caledonia. Chilean species varied in leaf mechanics and associated traits, both within and among matorral types, with more species in sclerophyll matorral having strong, tough, and stiff leaves than in arid and littoral matorral. Overall, leaves with high leaf dry mass per area were stiffer, tougher, stronger, thicker, denser, with more fiber, lignin, phenolics and fiber per unit protein and less protein: tannin activity and N and P per mass, forming a broad sclerophylly syndrome. Mechanical traits of matorral species were not correlated with soil N or P, or predictably with climate variables, except flexural stiffness (EIW) which correlated positively with annual reference evapotranspiration (ET0). However, soil P made strong independent contributions to variation in leaf mechanics across shrublands and woodlands of Chile, Western Australia, and New Caledonia, either separately (strength) or together with ET0 (toughness) explaining 46–90% of variation. Hence ET0 was predictive of EIW in Chilean matorral, whereas soil P was highly predictive of variation in leaf strength, and combined with ET0 was highly predictive of toughness, at a broader geographic scale. The biological basis of these relationships, however, may be complex.
Thermoelectric Properties of Ni0.05Mo3Sb5.4Te1.6 with Embedded SiC and Al2O3 Nanoparticles
Authors: Nandihalli Nagaraj , Guo Quansheng , Gorsse Stéphane , Khan Atta Ullah , Mori Takao , Kleinke Holger 
Published: February 2016

AbstractFirst, a large sample of Ni0.05Mo3Sb5.4Te1.6 was prepared by heating the elements in the stoichiometric ratio. β‐SiC nanoparticles were added in volume fractions, f, of 0.01, 0.02, and 0.034 to three different portions of the material, and a portion without SiC nanoparticles was retained as a reference. All four samples were subjected to consolidation by hot‐pressing. Furthermore, Al2O3 nanoparticles were added in volume fractions of f = 0.01, 0.0216, and 0.0325 to three other portions, again retaining a fourth protion as reference. These four samples were consolidated by spark‐plasma sintering. The thermoelectric transport properties of these composites were characterized from 325 to 740 K. For the sample with 0.01 volume fraction of SiC, there was an enhancement in figure of merit by 18 % compared with the reference sample, mainly due to an 18 % reduced thermal conductivity. The 9 % reduction in thermal conductivity of the sample with 0.01 volume fraction of Al2O3 was not enough to compensate the loss in the power factor of 18 %, leading to a decrease in the figure of merit. Microstructural information obtained by SEM, TEM, and BET was used to elucidate the phase and transport properties. The spark‐plasma‐sintered bulk sample has a figure of merit that is 35 % higher than the bulk sample consolidated through hot‐pressing.
Convenient Access to Di‐ and Tri­fluoroethylamines for Lead Structure Research
Authors: Deutsch Amrei , Wagner Christian , Deutsch Carl , Hoffmann‐Röder Anja 
Published: February 2016

AbstractMuch research effort has been devoted to the synthesis of fluorinated organic compounds in medicinal chemistry programs. For instance, incorporation of fluorine substituents and trifluoromethyl groups has become a widespread lead optimization strategy owing to the often favorable influence of such moieties on affinity and physicochemical properties. However, introduction of fluoroalkyl groups into dedicated positions of pharmacophores is synthetically challenging. In particular, efficient syntheses of di‐ and trifluoroethylamines are needed as they are an interesting, yet underrepresented, class of carboxamide mimics. Thus, a practical and reliable protocol for their preparation is described by using functionalized di‐ and trifluoromethylated N‐aryl‐substituted N,O‐acetals as synthetic aldimine equivalents. Moreover, previously unknown β‐trifluoroethylamine analogs of 1,2‐dihydroquinazolin‐4(1H)‐thione and the androgen receptor antagonist DIMN are prepared to demonstrate the method's applicability.
High‐grade histology as predictor of early distant metastases and decreased disease‐free survival in salivary gland cancer irrespective of tumor subtype
Authors: Haderlein Marlen , Scherl Claudia , Semrau Sabine , Lettmaier Sebastian , Uter Wolfgang , Neukam Friedrich Wilhelm , Iro Heinrich , Agaimy Abbas , Fietkau Rainer 
Published: February 2016

ABSTRACTBackgroundThe purpose of this study was to evaluate risk factors that influence overall survival (OS)/disease‐free survival (DFS)/locoregional recurrence‐free survival (LRFS), and distant metastases‐free survival (DMFS) in patients with high‐risk primary salivary gland carcinoma who underwent surgery and postoperative (chemo)radiotherapy with curative intention.MethodsWe reviewed data of 63 patients with high‐risk primary salivary gland carcinoma in a retrospective single‐center audit.ResultsAt a median follow‐up of 31 months (range, 5–145 months), cumulative OS and DFS were 91.7%, 77.6%, and 62.9%, and 82.1%, 65.6%, and 57.7%, respectively, after 1, 2, and 5 years. LRFS and DMFS were 92%, 86%, and 86%, and 83.4%, 70.4%, and 62.3% after 1, 2, and 5 years, respectively. Of all patient‐related, tumor‐related, and treatment‐related factors, high‐grade histology (G3) was the only factor in univariate and multivariate analysis that was predictive for a shorter DMFS (low/intermediate vs high‐grade: 100%, 100%, and 89.4% vs 72.9%, 54.3%, and 42.8% after 1, 2, and 5 years, respectively) and a shorter DFS (low/intermediate vs high‐grade: 100%, 90%, and 84.4% vs 71.2%, 50.1%, and 39.4% after 1, 2, and 5 years, respectively) and OS (low/intermediate vs high‐grade: 100%, 100%, and 86.5% vs 86.5%, 63.2%, and 46.5% after 1, 2, and 5 years, respectively).ConclusionHigh‐grade tumor histology is a highly significant predictor of a shorter DMFS, OS, and DFS in salivary gland carcinoma, irrespective of histological subtype. © 2016 Wiley Periodicals, Inc. Head Neck 38: E2041–E2048, 2016
Identification of new FGF1 binding partners—Implications for its intracellular function
Authors: Bober Joanna , Olsnes Sjur , Kostas Michal , Bogacz Marek , Zakrzewska Malgorzata , Otlewski Jacek 
Published: February 2016

AbstractBesides its classical mode of action through activation of specific receptors at the cell surface, fibroblast growth factor 1 (FGF1) can also cross the cellular membrane and translocate into the cytosol and further to the nucleus. The mechanism of this translocation is described partially, but the role of FGF1 inside the cell remains unknown. The aim of our work was to identify novel binding partners of FGF1 to predict its intracellular functions. We combined three methods of identification of such partners based on different principles: yeast two‐hybrid screen and mass spectrometry (MS) analysis of complexes obtained by Tandem Affinity Purification (TAP) or by co‐precipitation from cell lysate using recombinant FGF1. Altogether, we identified twenty novel intracellular proteins interacting with FGF1. For selected proteins, their direct interaction with FGF1 was confirmed by pull‐down assays and SPR measurements. Interestingly, half of the proteins found are involved in processes related to cell viability, such as apoptosis, cell proliferation, and cell cycle regulation. Thus, our study indicates that the role of intracellular FGF1 is to protect the cell against stress conditions by providing an additional signal for cell survival, independently of receptor‐activated signaling cascades. © 2016 IUBMB Life, 68(3):242–251, 2016