bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Study on the Effect of pH Value of Impregnation Solution in Nickel Catalyst Preparation for Methane Dry Reforming Reaction
Authors: Li Hangjie , Cheng Shilin , He Yingluo , Javed Mudassar , Yang Guohui , Yang Ruiqin , Tsubaki Noritatsu 
Published: August 2019

AbstractThe nickel particle size, distribution and interaction with support are crucial to the catalytic performance in dry reforming of methane reaction (DRM). Despite numerous literatures on dry reforming catalysis, the effect of solution pH on the catalytic performance is not well studied. Herein, we designed a series of Ni/SiO2 catalysts with different Ni particle sizes. The Ni particle size was controlled with altering the pH of the Ni nitrate solution via the addition of HNO3 or NH4OH. X‐ray diffraction (XRD) revealed that NH4OH promoted Ni/SiO2 catalysts present smaller NiO nanoparticles, and enhanced metal‐support interaction was evidenced from X‐ray photoelectron spectra (XPS) and H2 temperature‐programmed reduction (H2‐TPR) analyses. In addition, according to thermogravimetric analysis and differential scanning calorimetry (TG‐DSC) and transmission electron microscopy (TEM) results, the spent catalysts produced less carbon deposition and maintained Ni nanoparticles in smaller size after DRM reaction. Catalysts with nearly uniform and small particle size demonstrated a satisfying resistance to aggregation and carbon deposition, while realizing a high CH4, CO2 and Ctotal conversion (74.5, 83.7 and 79.7%, respectively). The present study provides a simple but effective way to change the metal‐support interaction and metal particle size.
A Metal‐Free, Organo Lewis Acid Catalyzed Synthesis of Highly Substituted Oxazoles
Authors: Kumaraswamy Gullapalli , Gangadhar Maram 
Published: August 2019

AbstractOrganoboron Lewis acid‐catalyzed synthesis of oxazole derivatives from α‐diazocarbonyl ketones/esters and aryl/alkyl nitriles has been accomplished. This protocol is compatible with an array of functional groups and results in various scaffolds of oxazole derivatives in good to high yields. Through this process, substitution variation can be achieved easily. Also, the tentative mechanism for the product formation was proposed.
High‐Temperature Reduction of Calcium Alginate to Carbon Sphere for Efficient Removal of Bivalent Cadmium
Authors: Cheng Yalin , Wang Kaiqian , Tu Biyang , Xia Yang , Zhang Jiaqian , Xue Shan , Tao Haisheng 
Published: August 2019

AbstractA carbon sphere was synthesized by high temperature reduction using alginate as a carbon source. The material was characterized by Fourier transform infrared spectrometer, X‐ray diffraction, scanning electron microscopy and energy dispersive analysis. The carbon sphere is reticulated and porous at the microscopic level. For Cd(II) removal experiments, the results showed that the carbon sphere had an excellent effect for the remove of Cd(II), and the adsorption obeyed pseudo‐second‐order kinetic model and the Langmuir adsorption isotherm model. The adsorption capacities of Langmuir isotherm were 149, 167, 196 mg⋅g−1 at 288 K, 298 K and 308 K, respectively. In general, the carbon sphere has a good application prospect for treating cadmium‐containing wastewater.
Simultaneous Quantification of the Interplay Between Molecular Turnover and Cell Mechanics by AFM–FRAP
Authors: Skamrahl Mark , Colin‐York Huw , Barbieri Liliana , Fritzsche Marco 
Published: August 2019

AbstractQuantifying the adaptive mechanical behavior of living cells is essential for the understanding of their inner working and function. Yet, despite the establishment of quantitative methodologies correlating independent measurements of cell mechanics and its underlying molecular kinetics, explicit evidence and knowledge of the sensitivity of the feedback mechanisms of cells controlling their adaptive mechanics behavior remains elusive. Here, a combination of atomic force microscopy and fluorescence recovery after photobleaching is introduced offering simultaneous quantification and direct correlation of molecule kinetics and mechanics in living cells. Systematic application of this optomechanical atomic force microscopy–fluorescence recovery after photobleaching platform reveals changes in the actin turnover and filament lengths of ventral actin stress fibers in response to constant mechanical force at the apical actin cortex with a dynamic range from 0.1 to 10 nN, highlighting a direct relationship of active mechanosensation and adaptation of the cellular actin cytoskeleton. Simultaneous quantification of the relationship between molecule kinetics and cell mechanics may thus open‐up unprecedented insights into adaptive mechanobiological mechanisms of cells.
Boosting the Reversibility of Sodium Metal Anode via Heteroatom‐Doped Hollow Carbon Fibers
Authors: Zheng Xueying , Li Peng , Cao Zhang , Luo Wei , Sun Fazhe , Wang Zhongqiang , Ding Bing , Wang Guoxiu , Huang Yunhui 
Published: August 2019

AbstractSodium (Na) metal anodes stand out with their remarkable capacity and natural abundance. However, the dendritic Na growth, infinite dimensional changes, and low Coulombic efficiency (CE) present key bottlenecks plaguing practical applications. Here, heteroatom‐doped (nitrogen, sulfur) hollow carbon fibers (D‐HCF) are rationally synthesized as a nucleation‐assisting host to enable a highly reversible Na metal. The “sodiophilic” functional groups introduced by the heteroatom‐doping and large surface area (≈1052 m2 g−1) synchronously contribute to a homogenous plating morphology with dissipated local current density. High “sodiophilicity” of the D‐HCF is confirmed by first‐principle calculations and experimental results, where strong adsorption energy of −3.52 eV with low Na+ nucleation overpotential of 3.2 mV at 0.2 mA cm−2 is realized. As such, highly reversible plating/stripping is achieved at 1.0 mA cm−2 with average CE approximating 99.52% over 600 cycles. The as‐assembled Na@D‐HCF symmetric cells exhibit a prolonged lifetime for 1000 h. A full‐cell paired with Na3V2(PO4)3 cathode further demonstrates stable electrochemical behavior for 200 cycles at 1 C along with excellent rate performance (102 mAh g−1 at 5 C). The results clearly show the effectiveness of the D‐HCF in manipulating Na+ deposition and thus the significance of nucleation control in realizing dendrite‐free metal anodes.
Copper‐Halide Polymer Nanowires as Versatile Supports for Single‐Atom Catalysts
Authors: Kim Min‐Seok , Park Haedong , Won Sung Ok , Sharma Aditya , Kong Jimin , Park Hyun S. , Sung Yun‐Mo , Park Tae Joon , Moon Myoung‐Woon , Hur Kahyun 
Published: August 2019

AbstractSingle‐atom catalysts are heterogeneous catalysts with atomistically dispersed atoms acting as a catalytically active center, and have recently attracted much attention owing to the minimal use of noble metals. However, a scalable and inexpensive support that can stably anchor isolated atoms remains a challenge due to high surface energy. Here, copper‐halide polymer nanowires with sub‐nanometer pores are proposed as a versatile support for single‐atom catalysts. The synthesis of the nanowires is straightforward and completed in a few minutes. Well‐defined sub‐nanometer pores and a large free volume of the nanowires are advantageous over any other support material. The nanowires can anchor various atomistically dispersed metal atoms into the sub‐nanometer pores up to ≈3 at% via a simple solution process, and this value is at least twice as big as previously reported data. The hydrogen evolution reaction activity of −18.0 A mgPt−1 at −0.2 V overpotential shows its potential for single‐atom catalysts support.
Strain‐Guided Oxidative Nanoperforation on Graphene
Authors: Liao Xiangbiao , Zhang Baidu , Furutani Takumi , Chen Youlong , Xiao Hang , Ni Yong , Yonezu Akio , Chen Xi 
Published: August 2019

AbstractIncreased applications of nanoporous graphene in nanoelectronics and membrane separations require ordered and precise perforation of graphene, whose scalablility and time/cost effectiveness represent a significant challenge in existing nanoperforation methods, such as catalytical etching and lithography. A strain‐guided perforation of graphene through oxidative etching is reported, where nanopores nucleate selectively at the bulges induced by the prepatterned nanoprotrusions underneath. Using reactive molecular dynamics and theoretical models, the perforation mechanisms are uncovered through the relationship between bulge‐induced strain and enhanced etching reactivity. Parallel experiments of chemical vapor deposition (CVD) of graphene on SiO2 NPs/SiO2 substrates verify the feasibility of such strain‐guided perforation and evolution of pore size by exposure of varied durations to oxygen plasma. This scalable method can be feasibly applied to a broad variety of 2D materials (e.g., graphene and h‐boron nitride) and nanoprotrusions (e.g., SiO2 and C60 nanoparticles), allowing rational fabrication of 2D material‐based devices.
Quantitative evaluation of tailoring within SPICE‐compliant security‐informed safety‐oriented process lines
Authors: Gallina Barbara 
Published: August 2019

AbstractIn the context of SPICE‐compliant and (security‐informed) safety processes, efficient process tailoring is necessary due to the increasing proliferation of requirements, which, if not systematised, may become an unmanageable cognitive overload leading to process degradation instead of improvement. Recently, security‐informed safety‐oriented process line engineering (SiSoPLE) has been proposed as a sound solution to systematise common and variable process elements in the context of security‐informed safety‐oriented processes described within security as well as safety‐related standards. SiSoPLE represents an extension of safety‐oriented process line engineering (SoPLE). The gain of the application of SoPLE in terms of efficient tailoring via reuse was measured in a previous work, where the GQM+ Strategies model, an extension of the goal/question/metric (GQM) paradigm, was adopted to develop a measurement model for achieving quantitative evidence. In this paper, we develop further our previously proposed measurement model to achieve quantitative evidence regarding the benefits of using process line engineering extended to SPICE‐compliant security‐informed safety processes. We then apply our extended GQM+ Strategies model on a SPICE for space‐compliant SiSoPL to illustrate and assess its usefulness. Finally, we discuss our findings and provide our perspectives on quantitative evaluation of tailoring in the context of critical‐systems engineering.
Health, safety, and well‐being through ethical behaviours in computer and information systems development and deployment
Authors: Rahanu Harjinder , Georgiadou Elli , Siakas Kerstin , Ross Margaret 
Published: August 2019

AbstractLiterature on systems development has been progressively identifying the importance of social aspects in systems development. However, there is often a failure of participants in the recognition, and fulfilment, of ethical duties concerning the concepts of health, safety, and well‐being. A rational appeal can be made to normative defensible ethical rules in order to arrive at a judicious, morally justifiable judgement. In this paper, our first step is to report on the findings of a literature review, which presents the current health and safety issues concerning usage of computers in organisations and the workplace. Building on our earlier research on basic generic deontological and teleological moral principles and theories, we prescribe a set of moral rights and duties that must be exercised and fulfilled by stakeholders in systems development in order for them to exhibit moral behaviour. By identifying, and recommending a set of defensible moral obligations that must be fulfilled in the development and deployment of systems, protagonists—such as, project managers, software engineering teams, systems analysts, and clients—can fulfil their ethical duties, thus increasing the likelihood of deployed systems that are compliant with principles of health, safety, and well‐being of its users.
Seismic fragility analysis of concrete encased frame‐reinforced concrete core tube hybrid structure based on quasi‐static cyclic test
Authors: Xiao Yunfeng , Zeng Lei , Chen Yiguang , Du Guofeng , Zhang Jicheng , Chen Juan 
Published: August 2019

SummaryConcrete‐encased frame‐core tube hybrid structural system has been widely employed in high‐rise buildings. This paper intends to analyze the seismic fragility of this structural system under ground motion excitation. The quasistatic cyclic test on a 1/5‐scaled, 10‐story three‐bay specimen is introduced. Fiber‐based finite element model is developed and integrated with numerical techniques that would be able to simulate the nonlinear response based on the OpenSees program. As the model is verified by the experimental data, a series of incremental dynamic analyses (IDAs) considering different frame‐tube stiffness ratios are carried out. IDA curves are drawn to describe each structural performance state. Fragility curves and probabilistic demand models are proposed for quantifying failure probability. The collapse margin ratio is employed to evaluate the collapse probability. The result shows that the collapse probability under rare earthquake still meets the requirement of Applied Technology Committee‐63 Report. The hybrid structure is proved to perform superior collapse resistance ability. The proper increase in the stiffness of core tube can reduce the collapse probability and enhance the collapse resistance capacity.
Photoexcited charge carrier behaviors in solar energy conversion systems from theoretical simulations
Authors: Wei Wei , Huang Baibiao , Dai Ying 
Published: August 2019

AbstractSolar energy bears great potential in the substitution of conventional fossil fuels to enable a sustainable world. In order to harness and use solar energy, photocatalytic and photovoltaic systems made of semiconductor materials have been developed to convert sunlight into energy (electricity) based on the photoelectrochemical effects. Photoelectric events are related with the light–energy (electricity) conversion process, including photon absorption, photoexcited charge carrier separation and recombination, charge carrier transport, and photocurrent generation, as well as electron plasmonic resonance. We focus on the recent state‐of‐the‐art simulation methods correspondingly mimicking these photogenerated charge carrier behaviors, taking electron–phonon, electron–exciton, and exciton–exciton interactions into account. Results can be obtained from the standard density function theory (DFT) for ground‐state properties, many‐body perturbation theory for band gap renormalization and optical absorption, time‐domain DFT in combination with nonadiabatic molecular dynamics for photoexcitation dynamics, nonequilibrium Green's function and self‐consistent theory for charge carrier transport properties, and classical Maxwell's equations in discrete dipole approximation for localized surface plasmon resonance absorption and near‐field enhancement. In combination of the results from these simulation methods, a complete and consistent picture describing the fundamental photoelectric process in light–energy (electricity) conversion could be obtained. Simulation results offer guidelines for experimental efforts and provide new basic insights into the underlying mechanisms and the design principles for next‐generation photocatalytic and photovoltaic devices of high solar light utilization efficiency.This article is categorized under:
Structure and Mechanism > Computational Materials Science
Electronic Structure Theory > Ab Initio Electronic Structure Methods
Software > Simulation Methods
Electric bias dependence of piezoelectric wave reflection upon a rotating half‐plane
Authors: Yuan Xiaoguang 
Published: August 2019

AbstractMain theory concerned with the piezoelectric wave reflection subjected the action of electric bias and rotation is presented, in which the higher order tensors of piezoelectric, elastic, dielectric and electrostrictive constants are involved. Some calculations for Lithium Niobate reveals that the electric bias and rotation are important factors of the wave reflection problems.
Entanglement entropy, OTOC and bootstrap in 2D CFTs from Regge and light cone limits of multi-point conformal block
Authors: Kusuki Yuya , Miyaji Masamichi 
Published: August 2019

Abstract

We explore the structures of light cone and Regge limit singularities of n-point Virasoro conformal blocks in c > 1 two-dimensional conformal field theories with no chiral primaries, using fusion matrix approach. These CFTs include not only holographic CFTs dual to classical gravity, but also their full quantum corrections, since this approach allows us to explore full 1/c corrections. As the important applications, we study time dependence of Renyi entropy after a local quench and out-of-time ordered correlator (OTOC) at late time.
We first show that, the n-th (n > 2) Renyi entropy after a local quench in our CFT grows logarithmically at late time, for any c and any conformal dimensions of excited primary. In particular, we find that this behavior is independent of c, contrary to the expectation that the finite c correction fixes the late time Renyi entropy to be constant. We also show that the constant part of the late time Renyi entropy is given by a monodromy matrix.
We also investigate OTOCs by using the monodromy matrix. We first rewrite the monodromy matrix in terms of fusion matrix explicitly. By this expression, we find that the OTOC decays exponentially in time, and the decay rates are divided into three patterns, depending on the dimensions of external operators. We note that our result is valid for any c > 1 and any external operator dimensions. Our monodromy matrix approach can be generalized to the Liouville theory and we show that the Liouville OTOC approaches constant in the late time regime.
We emphasize that, there is a number of other applications of the fusion and the monodromy matrix approaches, such as solving the conformal bootstrap equation. Therefore, it is tempting to believe that the fusion and monodromy matrix approaches provide a key to understanding the AdS/CFT correspondence.
The expression, secretion and activity of the aspartic protease MpAPr1 in Metschnikowia pulcherrima IWBT Y1123
Authors: Snyman C , Theron L W , Divol B 
Published: August 2019

Abstract
Protease-secreting yeasts have broad biotechnological potential for application to various industrial processes, including winemaking. However, this activity is influenced by the yeast response to environmental factors such as nitrogen and protein sources, as are found in grape juice. In this study, the wine-relevant yeast Metschnikowia pulcherrima IWBT Y1123, with known protease-secreting ability, was subjected to different nitrogen-containing compounds to monitor their impact on protease secretion and activity. Protease activity increased above basal levels for haemoglobin-containing treatments, indicating an inductive influence of proteins. On the other hand, treatments containing both haemoglobin and assimilable nitrogen sources led to a delayed increase in protease activity and protein degradation, suggesting a nitrogen catabolite repression mechanism at work. Protease activity and expression were furthermore evaluated in grape juice, which revealed increased expression and activity levels over time as promising results for further investigations into the impact of this yeast on wine properties.
Incidence and Risk of Severe Ileus after Orthopedic Surgery: A Case-Control Study
Authors: Mandl Lisa A. , Sasaki Mayu , Yang Jingyan , Choi Sara , Cummings Kelianne , Goodman Susan M. 
Published: August 2019

Background Post-operative ileus (POI) is common and can be associated with significant morbidity. Questions/Purposes We aimed to identify the incidence of and risk factors associated with severe post-operative ileus (SPOI) after elective orthopedic surgery. Methods We conducted a retrospective case–control study of patients undergoing elective orthopedic procedures at a single musculoskeletal specialty hospital. SPOI cases matched 1:2 to non-POI controls. International Classification of Diseases, Ninth Revision (ICD-9), codes were used to identify patients who were coded as having an episode of POI. After chart review, a subset was classified as clinical SPOI cases, based on set criteria. Regression models were constructed to identify variables associated with SPOI. Results Of 273 POI cases, 77 (28.2%) were classified as SPOI. Overall rates of SPOI were 2.74/1000 orthopedic discharges, with SPOI most common in spine surgeries (9.07/1000 spine procedure discharges). Hypothesis-generating multivariable conditional logistic regression suggested that, for hip and knee cases, not being on a full diet by post-operative day (POD) 2 posed an increased risk of SPOI. For spine cases, not being on a full diet on POD 2 and longer surgery times were associated with risk of SPOI. Conclusions In this retrospective case–control study, patients undergoing elective orthopedic procedures who had not progressed to full diet by POD 2 and spine patients with longer operative times were most at risk for SPOI. These data can be used clinically by peri-operative physicians to stratify patients according to risk.
A Dreadful Scourge: Cholera in early nineteenth-century India
Authors: HARRISON MARK 
Published: August 2019

AbstractIn 1817–21, the Indian subcontinent was ravaged by a series of epidemics which marked the beginning of what has since become known as the First Cholera Pandemic. Despite their far-reaching consequences, these epidemics have received remarkably little attention and have never been considered as historical subjects in their own right. This article examines the epidemics of 1817–21 in greater detail and assesses their significance for the social and political history of the Indian subcontinent. Additionally, it examines the meanings that were attached to the epidemics in the years running up to the first appearance of cholera in the West. In so doing, the article makes comparisons between responses to cholera in India and in other contexts, and tests the applicability of concepts used in the study of epidemics in the West. It is argued that the official reaction to cholera in India was initially ameliorative, in keeping with the East India Company's response to famines and other supposedly natural disasters. However, this view was gradually supplemented and replaced by a view of cholera as a social disease, requiring preventive action. These views were initially rejected in Britain, but found favour after cholera epidemics in 1831–32. Secondly, in contrast to later epidemics, it is argued that those of 1817–21 did little to exacerbate tensions between rulers and the ruled. On the rare occasions when cholera did elicit a violent reaction, it tended to be intra-communal rather than anti-colonial in nature.