bluuebunny/crossref_metadata_2025_split huggingface dataset:
Local atomic structure analysis of SiC interface with oxide using chemical-state-selective X-ray absorption spectroscopy
Authors: Isomura Noritake , Murai Takaaki , Oji Hiroshi , Nomoto Toyokazu , Watanabe Yukihiko , Kimoto Yasuji 
Published: September 2016

Abstract
A local atomic structure analysis of the interface between chemical vapor-deposited SiO2 and 4H-SiC was achieved via a combination of chemical-state-selective X-ray absorption spectroscopy and the use of a sample with a very thin oxide film. The Si K-edge spectrum, which monitors the SiC-assigned Auger peak, allows the SiC side of the SiO2/SiC interface to be selectively measured through the SiO2 film. We estimate the coordination number of the first nearest neighbor to be reduced by 17% with respect to the SiC bulk. This suggests that C vacancy defects exist at the SiC side of the interface.
Fabrication of (110)-one-axis-oriented perovskite-type oxide thin films and their application to buffer layer
Authors: Sato Tomoya , Ichinose Daichi , Kimura Junichi , Inoue Takaaki , Mimura Takanori , Funakubo Hiroshi , Uchiyama Kiyoshi 
Published: September 2016

Abstract
BaCe0.9Y0.1O3−δ (BCYO) and SrZr0.8Y0.2O3−δ (SZYO) thin films of perovskite-type oxides were deposited on (111)Pt/TiO
x
/SiO2/(100)Si substrates. X-ray diffraction patterns showed that the (110)-oriented BCYO and SZYO thin films were grown on (111)Pt/Si substrates directly without using any buffer layers. Thin films of SrRuO3 (SRO), a conductive perovskite-type oxide, were also deposited on those films and highly (110)-oriented SRO thin films were obtained. We believe that this (110)-oriented SRO works as a buffer layer to deposit (110)-oriented perovskite-type ferroelectric oxide thin films as well as a bottom electrode and can modify the ferroelectric properties of the oxide thin films by controlling their crystallographic orientations.
Electrocaloric properties of potassium tantalate niobate crystals
Authors: Maiwa Hiroshi 
Published: September 2016

Abstract
The electrocaloric properties of potassium tantalate niobate (KTN) crystals were investigated by indirect estimation and direct measurement of temperature–electric field (T–E) hysteresis loops. The measured T–E loops showed a similar shape to strain–electric field (s–E) loops. The adiabatic temperature change ΔT due to the electrocaloric effect was estimated from the polarization change of this sample to be 0.49 K under a field of 20 kV/cm. The measured temperature change ΔT in these samples upon the release of the electric field from 20 kV/cm to zero was 0.42 K. The temperature dependences of the electromechanical and electrocaloric properties were measured. The maximum performance appeared at approximately the phase transition temperature of KTN crystal and the properties were relatively moderate-temperature-dependent.
Expeditious and Divergent Total Syntheses of Aspidosperma Alkaloids Exploiting Iridium(I)‐Catalyzed Generation of Reactive Enamine Intermediates
Authors: Tan Peng Wen , Seayad Jayasree , Dixon Darren J. 
Published: September 2016

AbstractA new approach for the divergent total syntheses of (±)‐vincaminorine, (±)‐N‐methylquebrachamine, (±)‐quebrachamine, (±)‐minovine and (±)‐vincadifformine, each in less than 10 linear steps starting from a single δ‐lactam building block, is reported. Key to our route design is the late‐stage generation of reactive enamine functionality from stable indole‐linked δ‐lactams via a highly chemoselective iridium(I)‐catalyzed reduction. The efficiently formed secodine intermediates subsequently undergo either a formal Diels–Alder cycloaddition or a competitive Michael addition/reduction to access aspidosperma‐type alkaloids in excellent diastereoselectivities. Product selectivity could be controlled by changing the indole N‐protecting group in the reductive cyclization precursors. An asymmetric variant of this synthetic strategy for the synthesis of (+)‐20‐epi‐ibophyllidine is also described.
Sequestration of Proteins by Fatty Acid Coacervates for Their Encapsulation within Vesicles
Authors: Garenne David , Beven Laure , Navailles Laurence , Nallet Frédéric , Dufourc Erick J. , Douliez Jean‐Paul 
Published: September 2016

AbstractEncapsulating biological materials in lipid vesicles is of interest for mimicking cells; however, except in some particular cases, such processes do not occur spontaneously. Herein, we developed a simple and robust method for encapsulating proteins in fatty acid vesicles in high yields. Fatty acid based, membrane‐free coacervates spontaneously sequester proteins and can reversibly form membranous vesicles upon varying the pH value, the precrowding feature in coacervates allowing for protein encapsulation within vesicles. We then produced enzyme‐enriched vesicles and show that enzymatic reactions can occur in these micrometric capsules. This work could be of interest in the field of synthetic biology for building microreactors.
Observability and Controllability Analysis for Micro‐Positioning Stage Described by Sandwich Model with Hysteresis
Authors: Luo Na , Tan Yonghong , Dong Ruili 
Published: September 2016

AbstractIn this paper, an approach for analyzing the observability and controllability of micro‐positioning stage with piezoelectric actuator described by sandwich model with hysteresis is proposed. As hysteresis inherent in piezoelectric actuator is a non‐smooth nonlinear function with multi‐valued mapping, the positioning system is also a non‐smooth dynamic system. The Prandtl‐Ishlinksii (PI) submodel is employed to describe the characteristic of hysteresis embedded in the sandwich system. A linearization method based on non‐smooth optimization is proposed to derive a generalized linearized state‐space function to approximate the non‐smooth sandwich systems within a bounded region around the equilibrium points the system works at. Then, both observability and controllability matrices are constructed and the methods to analyze the observability as well as the controllability of sandwich system with hysteresis are derived. Finally, a simulation example and an application of the proposed method to a micro‐positioning stage with piezoactuator are presented to validate the proposed method.
Environmental decision‐making using Bayesian networks: creating an environmental report card
Authors: Johnson Sandra , Logan Murray , Fox David , Kirkwood John , Pinto Uthpala , Mengersen Kerrie 
Published: September 2016

Environmental report cards are popular mechanisms for summarising the overall status of an environmental system of interest. This paper describes the development of such a report card in the context of a study for Gladstone Harbour in Queensland, Australia. The harbour is within the World Heritage‐protected Great Barrier Reef and is the location of major industrial development, hence the interest in developing a way of reporting its health in a statistically valid, transparent and sustainable manner. A Bayesian network (BN) approach was used because of its ability to aggregate and integrate different sources of information, provide probabilistic estimates of interest and update these estimates in a natural manner as new information becomes available.BN modelling is an iterative process, and in the context of environmental reporting, this is appealing as model development can be initiated while quantitative knowledge is still under development, and subsequently refined as more knowledge becomes available. Moreover, the BN model helps build the maturity of the quantitative information needed and helps target investment in monitoring and/or process modelling activities to inform the approach taken. The model is able to incorporate spatial and temporal information and may be structured in such a way that new indicators of relevance to the underlying environmental gradient being monitored may replace less informative indicators or be added to the model with minimal effort.The model described here focuses on the environmental component, but has the capacity to also incorporate social, cultural and economic components of the Gladstone Harbour Report Card. Copyright © 2016 John Wiley & Sons, Ltd.
Scrutinizing the Emotional Nature of Intuitive Coherence Judgments
Authors: Zander Thea , Fernandez Cruz Ana L. , Winkelmann Martin P. , Volz Kirsten G. 
Published: September 2016

AbstractDual‐system models propose that cognitive processing can occur either intuitively or deliberately. Unlike deliberate decision strategies, intuitive ones are assumed to have an emotional component attached to the decision process. We tested if intuitive decisions are indeed accompanied by an emotional response while deliberate decisions are not. Specifically, we conducted a psychophysiological study in which participants were instructed to decide either intuitively or deliberately if three simultaneously presented words were semantically coherent or incoherent (triad task). The degree of emotionality of these two decision strategies (intuitive vs. deliberate) was compared using changes in electrodermal activity (EDA) and the reaction time (RT) effect of an affective priming paradigm as primary measurements. Based on a valence‐arousal model, our results revealed that intuitive and deliberate judgments do not differ as to their emotionalvalencebut that they do differ in emotionalarousal. Most notably, sympathetic activation during intuitive judgments was significantly lower compared to sympathetic activation during deliberate judgments. Our results reflect that a relaxed state of mind—manifested in low sympathetic activity—could underlie the holistic processing that is assumed to facilitate the proliferation of semantic associations during coherence judgments. This suggests that coherence judgments made under an (instructed) intuitive decision mode have a specific psychophysiological signature and that arousal is the differentiating component between intuitive and deliberate decision strategies. © 2016 The Authors Journal of Behavioral Decision Making Published by John Wiley & Sons Ltd.
Biogas Reforming for Hydrogen Production: A New Path to High‐Performance Nickel Catalysts Supported on Magnesium Aluminate Spinel
Authors: Habibi Narges , Wang Yuan , Arandiyan Hamidreza , Rezaei Mehran 
Published: September 2016

AbstractHighly dispersed Ni nanoparticles supported on high‐surface‐area mesoporous nanocrystalline MgAl2O4 powder was generated by a facile and simple propylene oxide assisted gelation agent route. The mesoporous spinel materials exhibited enhanced catalytic performance for hydrogen production in biogas dry reforming. The obtained spinel catalysts with different Ni loadings after calcination at 700 °C possessed high BET surface areas (236–224 m2 g−1). A narrow pore size distribution in the mesopore range was observed in the samples, and all the samples except 2.5 wt % Ni showed a mesoporous–macroporous structure. The 5 wt % Ni/MgAl2O4 sample showed the highest activity for the biogas dry reforming reaction because of the high dispersion of Ni on the mesoporous surface of the spinel support. X‐ray photoelectron spectroscopy revealed that the catalysts with a low Ni loading undergo the exchange of Mg2+ by Ni2+, whereas catalysts with a higher Ni loading undergo the substitution of Al3+ by Ni3+. Thus, appropriate partial Ni substitution in the MgAl2O4 support may play a role in the elevated catalytic performance.
Titanium cis‐1,2‐Diaminocyclohexane Salalen Catalysts of Outstanding Activity and Enantioselectivity for the Asymmetric Epoxidation of Nonconjugated Terminal Olefins with Hydrogen Peroxide
Authors: Lansing Markus , Engler Hauke , Leuther Tobias M. , Neudörfl Jörg‐M. , Berkessel Albrecht 
Published: September 2016

AbstractWe report a new and readily accessible class of titanium salalen complexes derived from cis‐1,2‐diaminocyclohexane (cis‐DACH) and fluorinated salicylic aldehyde derivatives. With aqueous hydrogen peroxide as the oxidant, these complexes catalyze the epoxidation of terminal, nonconjugated olefins in high yields with high enantioselectivities. We furthermore discovered that the addition of certain acidic or basic co‐catalysts significantly accelerated the epoxidation. For example, in the presence of 1 mol % Ti catalyst and 1 mol % pentafluorobenzoic acid, 1‐octene epoxidation (95 % ee) was completed at room temperature within 8 h. The catalytic process was compatible with many functional groups (e.g., ethers, esters, halides, nitriles, and nitro groups), whereas free hydroxy groups appeared to slow down the reaction to some extent. Catalyst recycling was possible.
Ethanol Oxidation on Sn‐modified Pt Single‐Crystal Electrodes: New Mechanistic Insights from On‐line Electrochemical Mass Spectrometry
Authors: Rizo Ruben , Lázaro M. Jesús , Pastor Elena , Koper Marc T. M. 
Published: September 2016

AbstractThe modification of low‐index Pt single crystals with a submonolayer coverage of Sn enhances the electroactivity of the electrode for the ethanol oxidation process in perchloric acid solution. The optimum Sn coverage for ethanol oxidation depends on the Pt crystallography, found to be approximately 0.26, 0.48, and 0.58 for Pt(100), Pt(111), and Pt(110), respectively; the Sn/Pt(110) system being the surface that exhibits the highest activity. On‐line electrochemical mass spectrometry experiments show that both on Pt(111) and Pt(110), the presence of Sn enhances the oxidation of ethanol to acetaldehyde. The further oxidation of acetaldehyde is sensitive to the Pt surface structure: on Pt(110) there are sites able to break the C−C bond in acetaldehyde to form CO2, whereas on Pt(111) such sites are not available and acetaldehyde is oxidized further to acetic acid.
Advances in Transition‐Metal Phosphide Applications in Electrochemical Energy Storage and Catalysis
Authors: Feng Ligang , Xue Huaiguo 
Published: September 2016

AbstractTransition‐metal phosphides (TMPs) have emerged as robust and efficient catalyst materials recently due to their excellent catalytic properties. This review summarizes the recent advances in TMP applications in electrochemical energy storage and catalysis. Some representative works are highlighted to give a scientific concept and understanding of the versatile applications of TMPS in water splitting, fuel cells, batteries, and supercapacitors. An outstanding catalytic activity/promotion effect was achieved in catalyst systems due to the synergistic effects between the various components. Problems and challenges are also discussed to inspire the development of novel nanoscaled TMPs as efficient and robust catalysts for commercial applications in real energy technologies.
Tuning Proton Conductivity by Interstitial Guest Change in Size‐Adjustable Nanopores of a CuI‐MOF: A Potential Platform for Versatile Proton Carriers
Authors: Khatua Sajal , Kumar Bar Arun , Konar Sanjit 
Published: September 2016

AbstractBy exploiting the breathing behavior of nanopores, we have studied for the first time the dependency of the guest‐induced proton conductivity of an interpenetrated CuI metal–organic framework (CuI‐MOF, [1]) on various guest molecules. Proton conductivities of over 10−3 S cm−1 under humid conditions were induced by a series of guest molecules, namely N,N‐dimethylformamide, dimethyl sulfoxide, diethylamine, 1,4‐dinitrobenzene, nitrobenzene, pyridine, and 1H‐1,2,4‐triazole. A detailed investigation of the guest‐incorporated complexes revealed that low‐energy proton conduction occurs under humid conditions through the Grotthuss mechanism in [1⊃NB] and through the vehicle mechanism in the rest of the complexes. Single‐point energy computations revealed considerable stabilization upon guest encapsulation. To the best of our knowledge, [1] represents the first example in which considerably high protonic conductivity is triggered upon the facile incorporation of small molecules of such a variety. The investigation portrayed herein may be a stepping stone towards the rational design of proton‐conducting materials for practical applications.
Protic N‐Heterocyclic Carbene Versus Pyrazole: Rigorous Comparison of Proton‐ and Electron‐Donating Abilities in a Pincer‐Type Framework
Authors: Toda Tatsuro , Yoshinari Akihiro , Ikariya Takao , Kuwata Shigeki 
Published: September 2016

AbstractEvaluation of the acidity of proton‐responsive ligands such as protic N‐heterocyclic carbenes (NHCs) bearing an NH‐wingtip provides a key to understanding the metal–ligand cooperation in enzymatic and artificial catalysis. Here, we design a CNN pincer‐type ruthenium complex 2 bearing protic NHC and isoelectronic pyrazole units in a symmetrical skeleton, to compare their acidities and electron‐donating abilities. The synthesis is achieved by direct C−H metalation of 2‐(imidazol‐1‐yl)‐6‐(pyrazol‐3‐yl)pyridine with [RuCl2(PPh3)3]. 15N‐Labeling experiments confirm that deprotonation of 2 occurs first at the pyrazole side, indicating clearly that the protic pyrazole is more acidic than the NHC group. The electrochemical measurements as well as derivatization to carbonyl complexes demonstrate that the protic NHC is more electron‐donating than pyrazole in both protonated and deprotonated forms.
Circularly Polarized Luminescence from Axially Chiral BODIPY DYEmers: An Experimental and Computational Study
Authors: Zinna Francesco , Bruhn Torsten , Guido Ciro A. , Ahrens Johannes , Bröring Martin , Di Bari Lorenzo , Pescitelli Gennaro 
Published: September 2016

AbstractWith our new home‐built circularly polarized luminescence (CPL) instrument, we measured fluorescence and CPL spectra of the enantiomeric pairs of two quasi‐isomeric BODIPY DYEmers 1 and 2, endowed with axial chirality. The electronic circular dichroism (ECD) and CPL spectra of these atropisomeric dimers are dominated by the exciton coupling between the main π–π* transitions (550–560 nm) of the two BODIPY rings. Compound 1 has strong ECD and CPL spectra (glum=4×10−3) well reproduced by TD‐DFT and SCS‐CC2 (spin‐component scaled second‐order approximate coupled‐cluster) calculations using DFT‐optimized ground‐ and excited‐state structures. Compound 2 has weaker ECD and CPL spectra (glum=4×10−4), partly due to the mutual cancellation of electric–electric and electric–magnetic exciton couplings, and partly to its conformational freedom. This compound is computationally very challenging. Starting from the optimized excited‐state geometries, we predicted the wrong sign for the CPL band of 2 using TD‐DFT with the most recommended hybrid and range‐separated functionals, whereas SCS‐CC2 or a DFT functional with full exact exchange provided the correct sign.
Three Short Stories about Hexaarylbenzene–Porphyrin Scaffolds
Authors: Lungerich Dominik , Hitzenberger Jakob F. , Donaubauer Wolfgang , Drewello Thomas , Jux Norbert 
Published: September 2016

AbstractA feasible two‐step synthesis and characterization of a full series of hexaarylbenzene (HAB) substituted porphyrins and tetrabenzoporphyrins is presented. Key steps represent the microwave‐assisted porphyrin condensation and the statistical Diels–Alder reaction to the desired HAB‐porphyrins. Regarding their applications, they proved to be easily accessible and effective high molecular mass calibrants for (MA)LDI mass spectrometry. The free‐base and zinc(II) porphyrin systems, as well as the respective tetrabenzoporphyrins, demonstrate in solid state experiments strong red‐ and near‐infrared‐light emission and are potentially interesting for the application in “truly organic” light‐emitting devices. Lastly, they represent facile precursors to large polycyclic aromatic hydrocarbon (PAH) substituted porphyrins. We prepared the first tetra‐hexa‐peri‐hexabenzocoronene substituted porphyrin, which represents the largest prepared PAH‐porphyrin conjugate to date.
Multiplicity Regions in a Moving‐Bed Reactor: Bifurcation Analysis, Model Extension, and Application for the High‐Temperature Pyrolysis of Methane
Authors: Munera Parra Alejandro A. , Platte Frank , Agar David W. 
Published: September 2016

AbstractThis paper reports studies on the bifurcation analysis and the generation of regions of multiplicity in the operation of moving‐bed reactors. The studies were first carried out for a generalized model, which allows the investigation of the effect of various scenarios, such as changes in heat capacity or the number of moles with reaction, as well as the previously unstudied equilibrium and allothermic reactions. The insights gained from this extension were then applied to an actual reaction, namely the high temperature pyrolysis of methane.
Reduced feeding tube duration with intensity‐modulated radiation therapy for head and neck cancer: A Surveillance, Epidemiology, and End Results‐Medicare Analysis
Authors: Beadle Beth M. , Liao Kai‐Ping , Giordano Sharon H. , Garden Adam S. , Hutcheson Katherine A. , Lai Stephen Y. , Guadagnolo B. Ashleigh 
Published: September 2016

BACKGROUNDIntensity‐modulated radiation therapy (IMRT) is a technologically advanced and resource‐intensive method of delivering radiation therapy (RT) and is used to minimize toxicity for patients with head and neck cancer (HNC). Dependence on feeding tubes is a significant marker of toxicity of RT. The objective of this analysis was to compare the placement and duration of feeding tube use among patients with HNC from 1999 through 2011.METHODSThe cohort, demographics, and cancer‐related variables were determined using the linked Surveillance, Epidemiology, and End Results (SEER)‐Medicare database, and claims data were used to analyze treatment details.RESULTSIn total, 2993 patients were identified. At a median follow‐up of 47 months, 54.4% of patients had ever had a feeding tube placed. The median duration from feeding tube placement to removal was 277 days. On zero‐inflated negative binomial regression, patients who received IMRT and 3‐dimensional RT (3DRT) (non‐IMRT) had similar rates of feeding tube placement (odds ratio, 1.10; P = .35); however, patients who received 3DRT had a feeding tube in place 1.18 times longer than those who received IMRT (P = .03). The difference was only observed among patients who received definitive RT; patients who underwent surgery and also received adjuvant RT had no statistically significant difference in feeding tube placement or duration.CONCLUSIONSPatients with HNC who received definitive IMRT had a significantly shorter duration of feeding tube placement than those who received 3DRT. These data suggest that there may be significant quality‐of‐life benefits to IMRT with respect to long‐term swallowing function in patients with HNC. Cancer 2017;123:283–293. © 2016 American Cancer Society.
Precise capture of colors in cultural heritage digitization
Authors: Korytkowski Przemyslaw , Olejnik‐Krugly Agnieszka 
Published: September 2016

AbstractA workflow for the color reproduction of digital still images for the purpose of cultural heritage digitization is presented. An analysis was performed to determine the effect of RAW to TIFF transformation; RGB to CIE L*a*b* transformation; white balancing; use of standard color spaces: sRGB, AdobeRGB (1998), ProPhoto RGB, eciRGBv2; custom DCP, and ICC profiles assigning. For the analysis, Color Checker Classic and Digital Color Checker SG targets were used. The precision of the color reproduction was checked against FADGI and Metamorfoze standards. We demonstrate that to obtain high color fidelity reproduction, white balancing and a custom ICC profile are necessary, while DCP profiling could be omitted. © 2016 Wiley Periodicals, Inc. Col Res Appl, 42, 333–336, 2017