bluuebunny/crossref_metadata_2025_split huggingface dataset:
Small‐scale methods to assess the gluten properties of durum wheat
Authors: Sissons Mike , Smit Jenny 
Published: March 2018

Background and objectivesDurum breeders are interested in being able to remove weak gluten genotypes from their crossing populations. Although numerous tests exist to measure gluten strength, methods that can be used in early generations, use minimal sample with little processing and have good discrimination are lacking. The purpose of this work was to evaluate several small‐scale methods to predict gluten strength in durum wheat with emphasis on the gluten aggregation behavior measured using a GlutoPeak device.FindingsUsing as little as 9 g of wholemeal (or semolina), a reproducible GlutoPeak aggregation curve is developed at the end of 5 min. Wholemeal gave higher precision than semolina and is more convenient to prepare when screening breeders’ material. The GlutoPeak Area and Peak Mixing Time (PMT) are good predictors of mixograph and gluten index (GI), which are traditional measures of gluten strength. Good correlations between these parameters were obtained using a diverse set of 145 durum genotypes. GlutoPeak Area gave the best prediction of GI from wholemeal samples allowing a breeder to remove weak‐moderate GI samples from a population using as little as 9 g of wholemeal. The GlutoPeak test showed higher correlations with mixograph and GI than the small‐scale biochemical methods, was easier to perform and uses no chemicals. However, GlutoPeak is not suitable when only mg quantities of sample are available.ConclusionsThe utility of the GlutoPeak device has been further validated in this work for screening durum wheat lines for gluten strength. Wholemeal is a suitable sample (9 g minimum) and provides good precision and reproducibility with a short analysis time of 5 min and requires minimal operator skill. It is suited to screening breeders’ populations for gluten strength and is preferred over SIG, HPLC determination of UPP and IP% determination using a turbidity assay.Significance and noveltyThe GlutoPeak can be used to effectively screen out low‐intermediate gluten strength in a durum wheat breeders’ population using 9 g of wholemeal with a 5 min run time.
High protein S activity due to C4b‐binding protein deficiency in a 34‐year‐old Surinamese female with ischemic retinopathy
Authors: Mulder René , de Vries Jeroen K. , Müskens Rogier P.H.M. , Mulder André B. , Lukens Michaël V. 
Published: March 2018

Key Clinical MessageIn this study, we present the first case of a 34‐year‐old Surinamese female with ischemic retinopathy and increased free protein S due to C4BP deficiency. Possibly, the low PS/C4BP complex level has increased the risk of arterial thrombosis in our patient.
Artificial Interface Derived from Diphenyl Ether Additive for High‐Voltage LiNi0.5Mn1.5O4 Cathode
Authors: Yue Hong Yun , Han Zhan Li , Tao Liang Liang , Zhang Yao Fa , Wang Lan , Li Xiang Nan , Yin Yan Hong , Yang Wei Guang , Yang Shu Ting 
Published: March 2018

AbstractDiphenyl ether (DPE) is investigated as a film‐forming additive to improve the cyclic stability of LiNi0.5Mn1.5O4 at high voltage and elevated temperature (55 °C). Addition of DPE in the baseline electrolyte significantly improves the capacity retention of LiNi0.5Mn1.5O4 at elevated temperature. Its capacity retention increases from 41.2 % at the baseline electrolyte to 90.5 % after 0.1 vol% DPE is added to the baseline electrolyte in 100 cycles. Calculations demonstrate that DPE is oxidized preferentially to the baseline electrolyte. The experimental results show that a robust and uniform film is generated on the LiNi0.5Mn1.5O4 surface, alleviating the subsequent electrolyte decomposition and protecting LiNi0.5Mn1.5O4 from transition metal dissolution and structural destruction.
Hybrid Iron Oxide on Three‐Dimensional Exfoliated Graphite Electrode with Ultrahigh Capacitance for Energy Storage Applications
Authors: Sun Zhen , Cai Xiang , Feng Dong‐Yang , Huang Zi‐Hang , Song Yu , Liu Xiao‐Xia 
Published: March 2018

AbstractElectrode materials with low cost, large theoretical capacity, and fast ion/electron transport rate are highly desirable for capacitive applications. Pseudocapacitive iron oxide materials (e. g., Fe2O3, Fe3O4) satisfy the first two aspects, but are electrically/ionically insulating, hindering their practical applications in energy storage. Here, hybrid mesoporous iron oxide (Fe2O3/Fe3O4) materials are integrated with a three‐dimensional electrochemically exfoliated graphite substrate (EG) using an electrodeposition coupled with a post‐chemical transition strategy. The hybrid Fe2O3/Fe3O4 materials on EG exhibit an ultrahigh specific capacitance of 1530 F g−1 at current density of 1 A g−1. This material with such high capacitance ranks on the top of the reported iron oxide materials for capacitive applications. In addition, the assembled device with EG@Fe2O3/Fe3O4 as anode can deliver a high gravimetric energy density of 21.6 Wh kg−1 at a power density of 225 W kg−1, based on the total mass of the two electrodes (including the mass of the current collectors). This system can power various electronic devices, suggesting its great potential for energy storage applications.
Direct Power Generation from Low Concentration Coal‐Bed Gas by a Catalyst‐Modified Solid Oxide Fuel Cell
Authors: Chen Huili , Wu Yufang , Yang Guangming , Shi Jing , Zhou Wei , Bai Jianping , Li Si‐Dian , Shao Zongping 
Published: March 2018

AbstractClear utilization of low‐concentration coal‐bed gas (LC‐CBG) would save energy, mitigate greenhouse gas emissions, and reduce explosion accidents during a coal‐mining process. In this paper, a novel catalyst Ni/BaO/CeO2 (NBC) is developed for CH4 partial oxidation and is used as an independent catalyst layer of a Ni cermet anode. LC‐CBG with composition of 30 % methane and 70 % air is directly fed to the catalyst‐modified SOFC to generate electricity. Operated on 30 % LC‐CBG, the NBC‐modified cell shows better performance and discharge stability than the conventional cell without the catalyst layer. Gas chromatography (GC) analysis on effluent gases extracted from the operating catalyst‐modified cells also indicates a higher CH4 conversion when the cell is fed with 30 % LC‐CBG than when fed with 3 % H2O‐humidified methane. Post‐mortem microstructures of cell surface were analyzed. The NBC‐modified cell has a potential application for fuels containing low concentration methane and air.
Large Oblate Hemispheroidal Ruthenium Particles Supported on Calcium Amide as Efficient Catalysts for Ammonia Decomposition
Authors: Kishida Kazuhisa , Kitano Masaaki , Inoue Yasunori , Sasase Masato , Nakao Takuya , Tada Tomofumi , Abe Hitoshi , Niwa Yasuhiro , Yokoyama Toshiharu , Hara Michikazu , Hosono Hideo 
Published: March 2018

AbstractAmmonia decomposition is an important technology for extracting hydrogen from ammonia toward the realization of a hydrogen economy. Herein, it is reported that large oblate hemispheroidal Ru particles on Ca(NH2)2 function as efficient catalysts for ammonia decomposition. The turnover frequency of Ru/Ca(NH2)2 increased by two orders of magnitude when the Ru particle size was increased from 1.5 to 8.4 nm. More than 90 % ammonia decomposition was achieved over Ru/Ca(NH2)2 with large oblate hemispheroidal Ru particles at 360 °C, which is comparable to that of alkali‐promoted Ru catalysts with small Ru particle sizes. XAFS analyses revealed that Ru particles are immobilized on Ca(NH2)2 by Ru−N bonds formed at the metal/support interface, which lead to oblate hemispheroidal Ru particles. Such a strong metal–support interaction in Ru/Ca(NH2)2 is also substantiated by DFT calculations. The high activity of Ru/Ca(NH2)2 with large Ru particles primarily originates from the shape and appropriate size of the Ru particles with a high density of active sites rather than the electron‐donating ability of Ca(NH2)2.
Phenoxyaluminum(salophen) Scaffolds: Synthesis, Electrochemical Properties, and Self‐Assembly at Surfaces of Multifunctional Systems
Authors: Mengozzi Luca , El Garah Mohamed , Gualandi Andrea , Iurlo Matteo , Fiorani Andrea , Ciesielski Artur , Marcaccio Massimo , Paolucci Francesco , Samorì Paolo , Cozzi Pier Giorgio 
Published: March 2018

AbstractSalophens and Salens are Schiff bases generated through the condensation of two equivalents of salicylaldehyde with either 1,2‐phenylenediamines or aliphatic diamines, respectively. Both ligands have been extensively exploited as key building blocks in coordination chemistry and catalysis. In particular, their metal complexes have been widely used for various catalytical transformations with high yield and selectivity. Through the modification of the phenol unit it is possible to tune the steric hindrance and electronic properties of Salophen and Salen. The introduction of long aliphatic chains in salicylaldehydes can be used to promote their self‐assembly into ordered supramolecular structures on solid surfaces. Herein, we report a novel method towards the facile synthesis of robust and air‐stable [Al(Salophen)] derivatives capable of undergoing spontaneous self‐assembly at the graphite/solution interface forming highly‐ordered nanopatterns. The new synthetic approach relies on the use of [MeAlIII(Salophen)] as a building unit to introduce, via a simple acid/base reaction with functionalized acidic phenol derivatives, selected frameworks integrating multiple functions for efficient surface decoration. STM imaging at the solid/liquid interface made it possible to monitor the formation of ordered supramolecular structures. In addition, the redox properties of the Salophen derivatives functionalized with ferrocene units in solution and on surface were unraveled by cyclic voltammetry. The use of a five‐coordinate aluminum alkyl Salophen precursor enables the tailoring of new Salophen molecules capable of undergoing controlled self‐assembly on HOPG, and thereby it can be exploited to introduce multiple functionalities with subnanometer precision at surfaces, ultimately forming ordered functional patterns.
Cleavage of Two Hydrogen Molecules by Boryldisilenes
Authors: Kosai Tomoyuki , Iwamoto Takeaki 
Published: March 2018

AbstractActivation of H2 by compounds of main‐group elements has received considerable attention. Herein, we report synthesis of novel monoboryl‐ and monoamino‐substituted disilenes and their characterization by a combination of NMR spectroscopy and single‐crystal X‐ray diffraction analysis. The monoboryldisilene reacts with two molecules of H2 to provide the corresponding trihydridodisilane and hydroborane, whereas the aminodisilene does not react with H2 under the same conditions. The present results together with our previous results indicate that the presence of the boryl‐substituent on the Si=Si double bond is essential to activate the H2 molecule. The low lying empty 2p orbital on the boron atom that interacts effectively with the π*(Si=Si) orbital could be responsible for the activation of H2.
Stable Immobilization of Size‐Controlled Bimetallic Nanoparticles in Photonic Crystal Fiber Microreactor
Authors: Ponce Sebastian , Munoz Macarena , Cubillas Ana M. , Euser Tijmen G. , Zhang Gui‐Rong , Russell Philip St. J. , Wasserscheid Peter , Etzold Bastian J. M. 
Published: March 2018

AbstractThe possibility of immobilizing ex situ‐synthesized colloidal bimetallic nanoparticles (NPs) of well‐defined characteristics inside hollow core photonic crystal fiber (HC‐PCF) microreactors is demonstrated. With the developed method, PtNi clusters remain strongly attached to the fiber core and can be used as active catalysts for the hydrogenation of an azobenzene dye. The study revealed that optical transmission exhibits a size‐dependent behavior, i.e., smaller NPs bring in less optical signal loss. Sufficient light transmission was achieved for all particle sizes. Furthermore, with these catalytic PCF microreactors, kinetic data can be obtained with a much lower amount of precious metals compared to a conventional batch reactor, opening a new pathway for in situ catalyst screening.
Which Dimension of Corporate Social Responsibility is a Value Driver in the Oil and Gas Industry?
Authors: Chowdhury Reza H. , Choi Sungchul , Ennis Simon , Chung Dongseop 
Published: March 2018

AbstractThe oil and gas (O&G) industry suffers from a negative perception of poor sustainability. O&G companies are therefore engaged in several socially sustainable activities related to community development and environmental protection. This article determines whether the social, environmental, and economic dimensions of corporate social responsibility (CSR) are equally value‐additive to O&G companies. We measure the company‐specific level of CSR activities from the information provided in the annual financial reports of O&G companies and determine the effects of CSR dimensions on firm value. We find that CSR enhances firm value of O&G companies. While social activities such as employee well‐being and community development are key value‐drivers, environmental and economic sustainable activities have an insignificant impact on the market value of O&G companies. Copyright © 2018 ASAC. Published by John Wiley & Sons, Ltd
Ultrasound assisted wet stirred media mill of high concentration LiFePO4 and catalysts
Authors: Li He , Rostamizadeh Mohammad , Mameri Kahina , Boffito Daria C. , Saadatkhah Nooshin , Rigamonti Marco Giulio , Patience Gregory S. 
Published: March 2018

AbstractWet media mills grind solids to the nanometric size and the performance of the mills depends on solids loading, particle morphology, surfactant concentration, and material characteristics. As the particle size decreases, they tend to form clusters that reduce the grinding efficiency. Ultrasound deagglomerates these clusters thereby increasing efficiency but, surprisingly, it can operate at higher solids concentrations. We processed suspensions of (LFP) with a yttria stabilized zirconia media with a size from 0.3 mm to 0.4 mm, and surfactant‐to‐LFP mass ratio 0.008. The combined method ground the particle size from 35 m down to 0.2 m in 90 min with a throughput of 0.68 /h. We also tested the improved wet media milling on two catalysts: ( and vanadyl pyrophosphate (VPP) precursor) to confirm the trends. We adopt a model for the steady state and repeatable micronizing process with ultrasonic assistance. According to TEM imaging the catalyst primary particles (20 nm) are much smaller than the agglomerated ones measured by laser diffraction (470 nm). VPP precursor slurry is normally an unstable suspension that is hard to mill. It formed agglomerates with recrystallized silica and VPP flocculation. The ultrasound‐assisted wet milling technique produced nanometer scale particles (180 nm), which is otherwise impossible. We developed and updated the steady state micronizing process with ultrasonic assistance using a simplified population balance model. The model accounts for of the variance in the experimental data.
CFD modelling of gas flow characteristics for the gas‐heating holder in environmental transmission electron microscope
Authors: Zhao Zhijian , Wang Zhiyong , Wang Dan , Wang Jie‐Xin , Pu Yuan , Chen Jian‐Feng 
Published: March 2018

AbstractThe environmental transmission electron microscope (ETEM) is an effective tool for understanding the behaviour of materials at an atomic level. In the present work, we have characterized the dynamics of gas flow in ETEM using computational fluid dynamic (CFD) simulations. The gas pressure drop, pressure distribution, and gas flow of different inlet pressures for a gas chamber are investigated. Based on the detailed CFD simulations, the hydrodynamics for the gas‐heating holder are carried out. Also, an attempt has been made to optimize the structure, and it is proposed that the triangle shaped inlet tube is more suitable. The results presented are useful for understanding the dynamics of gas flow in a gas chamber and provide a basis for further structure optimizations.
Energie für Chemie oder Chemie für Energie?
Authors: Wagner Tom , Flint Alfred 
Published: March 2018

AbstractAls transdisziplinärer Knotenpunkt zwischen den Naturwissenschaften ist das Energie‐Konzept des Schulunterrichts auf einfache, leicht verständliche Definitionen angewiesen, die in den Fächern Chemie, Physik und Biologie gleichermaßen Gültigkeit besitzen. Auf Grundlage empirisch nachgewiesener (Fehl‐)Vorstellungen wird eine Definition für die Energie im Schulunterricht vorgeschlagen. Außerdem wird eine Möglichkeit aufgezeigt, auf den wissenschaftlich nicht haltbaren Begriff der chemischen Energie zu verzichten und stattdessen bereits im Chemieanfangsunterricht die Enthalpie einzuführen. Dazu werden einfache Experimente zu unterschiedlichen Aspekten des Themas „Energie“ in der Sekundarstufe I und die dazu passenden Enthalpie‐Diagramme vorgestellt
Prognostic relevance of subclinical coronary and carotid atherosclerosis in a diabetic and nondiabetic asymptomatic population
Authors: Guaricci Andrea Igoren , Lorenzoni Valentina , Guglielmo Marco , Mushtaq Saima , Muscogiuri Giuseppe , Cademartiri Filippo , Rabbat Mark , Andreini Daniele , Serviddio Gaetano , Gaibazzi Nicola , Pepi Mauro , Pontone Gianluca 
Published: March 2018

BackgroundWe sought to evaluate the incremental prognostic benefit of carotid artery disease and subclinical coronary artery disease (CAD) features in addition to clinical evaluation in an asymptomatic population.MethodsOver a 6‐year period, 10‐year Framingham risk score together with carotid ultrasound and coronary computed tomography angiography were evaluated for prediction of major adverse cardiac events (MACE).ResultsWe enrolled 517 consecutive asymptomatic patients (63% male, mean age 64 ±10 years; 17.6% with diabetes). Median (interquartile range) coronary artery calcium score (CACS) was 34 (0–100). Over a median follow‐up of 4.4 (3.4–5.1) years, there were 53 MACE (10%). Patients experiencing MACE had higher CACS, incidence of carotid disease, presence of CAD ≥50%, and remodeled plaque as compared with patients without MACE. At multivariable analyses, presence of CAD ≥50% (HR: 5.14, 95% CI: 2.1–12.4) and percentage of segments with remodeled plaque (HR: 1.04, 95% CI: 1.03–1.06) independently predicted MACE (P < 0.001). Models adding CAD ≥50% or percentage of segments with remodeled plaque resulted in higher discrimination and reclassification ability compared with a model based on 10‐year FRS, carotid disease, and CACS. Specifically, the C‐statistic improved to 0.75 with addition of CAD and 0.84 when adding percentage of segments with remodeled plaque, whereas net reclassification improvement indices were 0.86 and 0.92, respectively.ConclusionsIn an asymptomatic population, CAD and plaque positive remodeling increase MACE prediction compared with a model based on 10‐year FRS, carotid disease, and CACS estimation. In the diabetes subgroup, percentage of segments with remodeled plaque was the only predictor of MACE.
Electrocardiographic left ventricular hypertrophy predicts recurrence of atrial arrhythmias after catheter ablation of paroxysmal atrial fibrillation
Authors: Li Song‐Nan , Wang Lu , Dong Jian‐Zeng , Yu Rong‐Hui , Long De‐Yong , Tang Ri‐Bo , Sang Cai‐Hua , Jiang Chen‐Xi , Liu Nian , Bai Rong , Du Xin , Ma Chang‐Sheng 
Published: March 2018

BackgroundLeft ventricular hypertrophy (LVH) is an independent predictor of new‐onset atrial fibrillation. Whether LVH can predict the recurrence of arrhythmia after radiofrequency catheter ablation (RFCA) in patients with paroxysmal atrial fibrillation (PAF) remains unclear.HypothesisPAF patients with baseline‐electrocardiographic LVH has a higher recurrence rate after RFCA procedure compared with those without LVH.MethodsA total of 436 patients with PAF undergoing first RFCA were consecutively enrolled and clustered into 2 groups based on electrocardiogram (ECG) findings: non‐ECG LVH (218 patients) and ECG LVH (218 patients). LVH was characterized by the Romhilt‐Estes point score system; the score ≥5points were defined as LVH.ResultsAt 42 months' (interquartile range, 18.0–60.0 months) follow‐up after RFCA, 151 (69.3%) patients in the non‐ECG LVH group and 108 (49.5%) patients in the ECG LVH group maintained sinus rhythm without using antiarrhythmic drugs (P < 0.001). Patients with ECG LVH tended to experience a much higher prevalence of stroke and recurrence of atrial arrhythmia episodes compared with those without ECG LVH (log‐rank P < 0.001). Multivariate analysis found the presence of ECG LVH and left atrial diameter to be independent risk factors for recurrence after adjusting for confounding factors.ConclusionsThe presence of ECG LVH was a strong and independent predictor of recurrence in patients with PAF following RFCA.
CapsidMesh: Atomic‐detail structured mesh representation of icosahedral viral capsids and the study of their mechanical properties
Authors: Alonzo‐Velázquez José Luis , Botello‐Rionda Salvador , Herrera‐Guzmán Rafael , Carrillo‐Tripp Mauricio 
Published: March 2018

AbstractViruses are the most abundant pathogens affecting all forms of life. A major component of a virus is a protein shell, known as the viral capsid, that encapsulates the genomic material. The fundamental functions of the capsid are to protect and transport the viral genome and recognize the host cell. Descriptions of this macromolecular complex have been proposed at different scales of approximation. Here, we introduce a methodology to generate a structured volumetric mesh of icosahedral viral capsids (CapsidMesh) based on the atomic positions of their constituents. Material properties of the capsid proteins can be set on every mesh element individually. Hence, we have control over all levels of protein structure (atoms, amino acids, subunits, oligomers, and capsid). The CapsidMesh models are suitable for numerical simulations and analysis of a physical process using a third‐party package. In particular, we used our methodology to generate a CapsidMesh of several capsids previously characterized by atomic force microscopy experiments and then simulated the mechanical nanoindentation through the finite element method. By fitting to the experimental linear elastic response, we estimated the elastic modulus and mechanical stresses produced on the capsids. Our results show that the atomic detail of the CapsidMesh is sufficient to reproduce anisotropic properties of the particle.
Density Functional Theory Calculations of the Quantum Capacitance of Graphene Oxide as a Supercapacitor Electrode
Authors: Song Ce , Wang Jinyan , Meng Zhaoliang , Hu Fangyuan , Jian Xigao 
Published: March 2018

AbstractGraphene oxide has become an attractive electrode‐material candidate for supercapacitors thanks to its higher specific capacitance compared to graphene. The quantum capacitance makes relative contributions to the specific capacitance, which is considered as the major limitation of graphene electrodes, while the quantum capacitance of graphene oxide is rarely concerned. This study explores the quantum capacitance of graphene oxide, which bears epoxy and hydroxyl groups on its basal plane, by employing density functional theory (DFT) calculations. The results demonstrate that the total density of states near the Fermi level is significantly enhanced by introducing oxygen‐containing groups, which is beneficial for the improvement of the quantum capacitance. Moreover, the quantum capacitances of the graphene oxide with different concentrations of these two oxygen‐containing groups are compared, revealing that more epoxy and hydroxyl groups result in a higher quantum capacitance. Notably, the hydroxyl concentration has a considerable effect on the capacitive behavior.