bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reaching Highly Stable Specific Capacity with Integrated 0.6Li2MnO3 : 0.4LiNi0.6Co0.2Mn0.2O2 Cathode Materials
Authors: Penki Tirupathi Rao , Nayak Prasant Kumar , Levi Elena , Grinblat Judith , Elias Yuval , Luski Shalom , Markovsky Boris , Aurbach Doron 
Published: February 2018

AbstractThe work described herein was performed to find guidelines for the optimal selection of high‐specific‐capacity cathode materials for Li‐ion batteries. In this study, we compared the electrochemical behavior of three cathode materials working over wide potential domains in Li cells: Li1.2Ni0.24Co0.08Mn0.48O2 (0.6Li2MnO3 : 0.4LiNi0.6Co0.2Mn0.2O2), Li1.2Ni0.16Co0.08Mn0.56O2 (0.6Li2MnO3 : 0.4LiNi0.4Co0.2Mn0.4O2), and LiNi0.6Co0.2Mn0.2O2 (as a reference material). The first two compositions are Li‐ and Mn‐rich cathode materials that contain Li2MnO3 and LiNixCo1‐x‐yMnyO2 components, as established by structural analysis using X‐ray and electron diffraction. The main focus was the possibility to obtain a stable capacity and average voltage while working over a wide potential domain, in order to extract high specific capacity. The three materials were prepared through the self‐combustion reaction and were characterized by using SEM, ICP, HRTEM, and electrochemical techniques. Li1.2Ni0.24Co0.08Mn0.48O2 cathodes operating over the potential range 2.0–4.6 V vs. Li demonstrated stable specific capacities greater than 200 mAh g−1 and stable average voltages, thus rivaling LiNi0.6Co0.2Mn0.2O2 and Li1.2Ni0.16Co0.08Mn0.56O2 cathodes in terms of electrochemical performance. The consequences of these findings are discussed herein. Li‐ and Mn‐rich cathode materials may be advantageous compared to Ni‐rich cathode materials in terms of cost and safety.
Nitrogen and Phosphorus Co‐doped Hollow Carbon Spheres as Efficient Metal‐Free Electrocatalysts for the Oxygen Reduction Reaction
Authors: Zhang Chunmei , Hou Lin , Cheng Chunfeng , Zhuang Zhihua , Zheng Fuqin , Chen Wei 
Published: February 2018

AbstractReplacement of rare‐ and noble‐metal catalysts with earth‐abundant, low‐cost, stable, and efficient metal‐free catalyst substitutes is highly desirable, but full of challenges for the oxygen reduction reaction (ORR). Herein, N, P co‐doped hollow carbon spheres (N,P‐HCS) are prepared through a simple pyrolysis method, using hollow carbon spheres (HCS), melamine, and phytic acid (PA) as the C, N, and P sources, respectively. Compared to the N‐doped HCS (N‐HCS) and P‐doped HCS (P‐HCS), the N, P co‐doped sample exhibited much higher ORR catalytic activity. Moreover, in comparison with commercial Pt/C, the as‐prepared N,P‐HCS showed comparable ORR activity, but stronger endurance to methanol and higher durability in alkaline solution. The high performance of N,P‐HCS can be primarily ascribed to the large surface area, high conductivity, porous carbon structure, and high content of heteroatoms (N and P). Considering the excellent catalytic activity and durability, after further structural optimization, N,P‐HCS could be a promising metal‐free catalyst candidate for the ORR in fuel cells.
Synergistic Hematite–Fullerene Electron‐Extracting Layers for Improved Efficiency and Stability in Perovskite Solar Cells
Authors: Hou Qinzhi , Ren Jing , Chen Haijun , Yang Pan , Shao Qian , Zhao Min , Zhao Xiaochong , He Hongcai , Wang Ning , Luo Qiang , Guo Zhanhu 
Published: February 2018

AbstractThe front cover artwork is provided by Prof. Zhanhu Guo from the University of Tennessee, Knoxville (USA) and Profs. Ning Wang and Qiang Luo from the University of Electronic Science and Technology of China. The image shows that inorganic hematite can synergistically work with organic fullerene as an electron‐extracting material for efficient and stable heterojunction perovskite solar cells. Read the full text of the Communication at 10.1002/celc.201701054.
Recent Advances in the Cycloisomerizations of Methylenecyclopropanes using Gold Catalysis
Authors: Fang Wei , Shi Min 
Published: February 2018

AbstractDuring the past decades, cycloisomerizations of methylenecyclopropanes using gold catalysis have attracted much attention from organic chemists. The different patterns of gold(I)‐catalyzed cycloisomerizations of methylenecyclopropanes have been developed, and they can be classified as ring‐opening and ring‐expansion reaction patterns. This synthetic methodology provides a new approach to novel cyclic‐ or polycyclic compounds. The corresponding products have great potential for material science, medicinal chemistry and total synthesis. This Concept article will mainly focus on the recent advances in the cycloisomerizations of methylenecyclopropanes in the past four years.
Constrained Chemical Dynamics of CO Dissociation/Hydrogenation on Rh Surfaces
Authors: Kraus Peter , Frank Irmgard 
Published: February 2018

AbstractAmong noble metal catalysts, rhodium (Rh) is unique in its ability to perform a one‐step synthesis of ethanol from syngas. The first steps following the adsorption of syngas on Rh surfaces are assumed to be responsible for the conversion of CO and the selectivity effects between C1, C2, and oxygenated species. In the current work, constrained ab initio molecular dynamics are applied to investigate the kinetics of CO dissociation and hydrogenation over flat and stepped Rh surfaces. The obtained barriers for the Rh(111) surface are in good agreement with the literature data. On the stepped Rh(211) surface, a large site‐dependent variation in barrier height is shown, with the upper terrace exhibiting behavior comparable to the Rh(111) surface, whereas the barriers over the lower terrace site are generally significantly lower. The rate constants are calculated using transition state theory for both surfaces, and are applied successfully in a microkinetic model, confirming the predicted impact on CO conversion and CH4/C1‐oxygenate/C2Hn selectivity. In addition to the high‐accuracy energetics and rate constants reported for CO dissociation/hydrogenation and the presentation of an updated microkinetic mechanism for Rh catalysts, the applicability of constrained molecular dynamics for reaction barrier calculation is confirmed, and sensitive pathways affecting the selectivity between formaldehyde/methanol over Rh catalysts are highlighted.
Organoactinide‐Catalyzed Monohydroboration of Carbodiimides
Authors: Liu Heng , Kulbitski Kseniya , Tamm Matthias , Eisen Moris S. 
Published: February 2018

AbstractThe organoactinide‐catalyzed monohydroboration of carbodiimides is reported herein. The catalytic reactions proceed under very mild conditions in a highly atom‐efficient and highly selective fashion to afford the corresponding monohydroborated N‐borylformamidine products in high yields. A plausible mechanism is proposed based on stoichiometric and kinetic studies.
Chemoselective Glycosylation of Peptides through S‐Alkylation Reaction
Authors: Calce Enrica , Digilio Giuseppe , Menchise Valeria , Saviano Michele , De Luca Stefania 
Published: February 2018

AbstractAn efficient and rapid procedure for synthesizing S‐linked glycopeptides is reported. The approach uses activated molecular sieves as a base to promote the selective S‐alkylation of readily prepared cysteine‐containing peptides, upon reaction of appropriate glycosyl halides. Considering the very mild conditions employed, the chemoselective linkage of the electrophilic sugar with a peptide sulfhydryl group occurred in satisfactory yield, allowing the incorporation of mono and disaccharide moieties. The sugar–peptide conjugates obtained from α‐d‐glycosyl derivatives adopt a β‐S‐configuration, indicating the high stereoselectivity of the substitution reaction.
Efficient Catalytic Enantioselective Hydroxyamination of α‐Aryl‐α‐Cyanoacetates with 2‐Nitrosopyridines
Authors: Zhang Jingchuan , Fu Kai , Lin Lili , Lu Yan , Liu Xiaohua , Feng Xiaoming 
Published: February 2018

AbstractThe highly enantioselective totally N‐selective hydroxyamination reaction of α‐aryl‐α‐cyanoacetates with 2‐nitrosopyridines was realized by using a chiral N,N′‐dioxide/Mg(OTf)2 complex as catalyst, which enriches the nitroso chemistry. A variety of 2‐cyano‐2‐[hydroxyl(pyrydin‐2‐yl)amino]acetates with quaternary stereocenters and potential antibacterial activities were obtained in excellent yields with good to excellent ee values under as low as 0.05 mol % catalyst loading. The products could be easily transformed to useful α‐amino amides and 1,2‐diamines. Besides, a possible transition state model was proposed to elucidate the origin of the chirality induction.
Tandem Functionalization in a Highly Branched Polymer with Layered Structure
Authors: Cao Xiaosong , Shi Yi , Gan Weiping , Gao Haifeng 
Published: February 2018

AbstractA hyperbranched polymer with multilayer structure was developed to demonstrate the possibility of highly efficient tandem functionalization reactions at different domains within one nanostructured platform. The polymer scaffold was constructed by chain‐growth copper‐catalyzed azide–alkyne cycloaddition polymerization of three functional monomers with sequential monomer addition in one pot. Subsequent reactions with different monomer units resulted in efficient functionalization of each segment with construction of a highly sophisticated polymer structure by a robust procedure. As a proof of concept, the ability of this polymer structure to quantitatively load six species of guest molecules through three different types of conjugation reactions was demonstrated.
A sensitivity analysis for tissue development by varying model parameters and input variables
Authors: Paim Ágata , Tessaro Isabel C. , Pranke Patricia , Cardozo Nilo S. M. 
Published: February 2018

AbstractPhenomenological models can help in the study of the relation between mass transport and cell growth in three‐dimensional porous scaffolds, which is one of the main challenges of tissue engineering. Thus, using a model for cell proliferation and glucose diffusion and consumption, the dimensionless parameters and input variables were varied to determinate those which affect the model output the most. The simulations were performed with the software OpenFOAM, and the results were compared through a sensitivity analysis for the parameters. It was observed that the model is more sensitive to the dimensionless parameters related to cell proliferation, death, and nutrient uptake, and that dimensionless initial glucose concentration and scaffold porosity had a higher impact on cell volume fraction and on dimensionless glucose concentration. When compared to data from experimental studies, the computational results showed that the studied model is capable of representing the phenomena involved in tissue development in vitro.
Effect of type D personality on smoking status and their combined impact on outcome after acute myocardial infarction
Authors: Imbalzano Egidio , Vatrano Marco , Quartuccio Sebastiano , Ceravolo Roberto , Ciconte Vincenzo Antonio , Rotella Paola , Pardeo Renato , Trapani Giovanni , De Fazio Pasquale , Segura‐Garcia Cristina , Costantino Rossella , Saitta Antonino , Mandraffino Giuseppe 
Published: February 2018

BackgroundSmoking cessation is correlated with several psychological, social, biological, and pharmacological aspects. The combined tendency to experience negative emotions and to inhibit the expression of these emotions is indicated as “type D personality,” an independent risk marker for clinical outcome in cardiac disease. Despite this effect of type D personality on cardiovascular disease, it is still unclear whether this personality trait may influence smoking cessation after a myocardial infarction.Hypothesiswe hypothesized that there is a relationship between type D personality and smoking persistence in acute coronary syndrome patients, and this association may predict a worse long‐term prognosis.MethodsThe study enrolled 231 patients with ST‐segment elevation myocardial infarction, treated with primary percutaneous coronary intervention. Type D scale 14 (ds 14) was administered upon admission to the hospital.ResultsAfter controlling for demographic and clinical confounders, non–type D patients reported statistically significant higher frequencies of smoking cessation when compared with the type D group. In addition, the presence of this psychological factor anticipates significantly the onset of smoking during adolescence. Furthermore, current type D smokers had a higher incidence of cardiovascular events during long‐term follow‐up.ConclusionsType D personality and smoking status increase the risk of cardiac events. An emotionally stressed personality and persistence of smoking after the first cardiac event, and mostly their mutual influence, indicate a population at high cardiovascular risk.
Synthesis and Characterization of the R27S Genetic Variant of Insulin‐like Peptide 5
Authors: Zaykov Alexander N. , Gelfanov Vasily M. , Liu Fa , DiMarchi Richard D. 
Published: February 2018

AbstractWe report the synthesis and in vitro bioactivity assessment for an insulin‐like peptide 5 (INSL5) analogue that was recently discovered as a genetic mutation in an Amish population. The mutation was associated with improved metabolic status, and receptor‐based antagonism was proposed as a potential mechanism for the altered phenotype. We determined the specific peptide analogue to be fully potent and of maximal efficacy at the human relaxin family peptide receptor 4 (RXFP4), suggesting an alternative basis for the observed effect. In preparation of this synthetically challenging hormone, we have introduced several improvements such as implementation of isoacyl chemistry for high‐efficiency preparation of INSL5 B‐chain and selective intramolecular A6‐11 disulfide formation as a first step in sequential disulfide assembly.
Simulation, design, and test of an elliptical surface coil for magnetic resonance imaging and spectroscopy
Authors: Giovannetti Giulio , Flori Alessandra , De Marchi Daniele , Matarazzo Giuseppe , Frijia Francesca , Burchielli Silvia , Montanaro Domenico , Aquaro Giovanni Donato , Menichetti Luca 
Published: February 2018

AbstractThe simplest design of surface coils for magnetic resonance imaging (MRI) applications is circular and square loops, both producing a magnetic field perpendicular to the coil plane in the central region‐of‐interest (ROI), with an amplitude that decreases along the coil axis. However, a surface coil constituted by a loop with different geometry could be necessary when particular field‐of‐views (FOVs) are desired, especially for performing imaging in an elongated region. This can be achieved by using an elliptical loop, which can guarantee a wide longitudinal FOV and a good penetration in deep sample regions. This work proposes the application of a method for elliptical coil Signal‐to‐Noise Ratio (SNR) estimation previously developed for circular and square loop design, in which coil inductance and resistance are analytically calculated and the magnetic field pattern is estimated using the magnetostatic approach, while the sample‐induced resistance is calculated with the vector potential calculation method. In the second part of the paper, we propose the simulation and the design of a transmit/receive elliptical coil for MRI in mice with a 3T clinical scanner. We also evaluated the coil performance in a preliminary magnetic resonance spectroscopy (MRS) study in phantom.
Visible Light‐Driven Water Oxidation on an In Situ N2‐Intercalated WO3 Nanorod Photoanode Synthesized by a Dual‐Functional Structure‐Directing Agent
Authors: Li Dong , Takeuchi Ryouchi , Chandra Debraj , Saito Kenji , Yui Tatsuto , Yagi Masayuki 
Published: February 2018

AbstractWith a view to developing a photoanode for visible light‐driven water oxidation in solar water splitting cells, pure‐monoclinic WO3 nanorod crystals with N2 intercalated into the lattice were synthesized by using hydrazine with a dual functional role—as an N atom source for the in situ N2 intercalation and as a structure‐directing agent for the nanorod architecture—to gain higher incident photon‐to‐current conversion efficiency at 420 nm than with most previously reported WO3 electrodes.
Sufficient Utilization of Zirconium Ions to Improve the Structure and Surface properties of Nickel‐Rich Cathode Materials for Lithium‐Ion Batteries
Authors: He Tao , Lu Yun , Su Yuefeng , Bao Liying , Tan Jing , Chen Lai , Zhang Qiyu , Li Weikang , Chen Shi , Wu Feng 
Published: February 2018

AbstractWe doped Zr4+ ions in the outer layer of Ni0.8Co0.1Mn0.1(OH)2 by coprecipitation. The distribution of Zr4+ in the final cathode materials showed a gradient distribution because of ion migration during the thermal treatment. The doped layer was confirmed by using various analysis methods (energy‐dispersive X‐ray spectroscopy, XRD, X‐ray photoelectron spectroscopy, and TEM), which implies that Zr4+ can not only occupy both the transition metal slabs and Li slabs but also form a Li2ZrO3 layer on the surface as a highly ion‐conductive layer. The doped Zr4+ in the transition metal slabs can stabilize the crystal structure because of the strong Zr−O bond energy, and the doped Zr4+ in the Li slabs can act as pillar ions to improve the structural stability and reduce cation mixing. The gradient doping can take advantage of the “pillar effect” and restrain the “blocking effect” of the pillar ions, which reduces irreversible capacity loss and improves the cycling and rate performance of the Ni‐rich cathode materials. The capacity retention of the modified sample reached 83.2 % after 200 cycles at 1C (200 mA g−1) at 2.8–4.5 V, and the discharge capacity was up to 164.7 mAh g−1 at 10C. This effective strategy can improve the structure stability of the cathode material while reducing the amount of non‐electrochemical active dopant because of the gradient distribution of the dopant. In addition, the highly ion‐conductive layer of Li2ZrO3 on the surface can improve the rate performance of the cathode.
Aqueous Hydrogenation of Levulinic Acid to 1,4‐Pentanediol over Mo‐Modified Ru/Activated Carbon Catalyst
Authors: Cui Jinglei , Tan Jingjing , Zhu Yulei , Cheng Fangqin 
Published: February 2018

AbstractA highly efficient and green process was developed for direct conversion of levulinic acid into 1,4‐pentanediol over Mo‐modified Ru/activated carbon (AC) catalyst in a continuous fixed‐bed reactor. The Ru–MoOx/AC catalyst was found to be efficient for the aqueous‐phase hydrogenation of levulinic acid to 1,4‐pentanediol, whereby a high yield (96.7 mol %) of 1,4‐pentanediol was obtained under mild reaction conditions (70 °C, 4 MPa H2).
FPGA‐based implementation for improved control scheme of grid‐connected PV system with 3‐phase 3‐level NPC‐VSI
Authors: Jena Satabdy , Panda Gayadhar , Peesapati Rangababu 
Published: February 2018

SummaryThe large scale penetration of renewable energy resources has boosted the need of using improved control technique and modular power electronic converter structures for efficient and reliable operation of grid‐connected systems. This study investigates the performance of a grid‐connected 3‐phase 3‐level neutral‐point clamped voltage source inverter for renewable energy integration by using improved current control technique. For medium or high‐voltage grid interfacing, the multilevel inverter structure is generally used to reduce the voltage stress across the switching device as well as the harmonic distortion. The neutral‐point clamped voltage source inverter is controlled by using decoupling technique along with the proper grid synchronization via moving average filter–based phase‐locked loop. The moving average filter–based phase‐locked loop is used to reduce the delay in grid angle estimation under balanced as well as distorted grid conditions. A Lyapunov‐based approach for analysing the stability of the system has also been discussed. In this study, the hardware‐in‐loop (HIL) simulation of the control algorithm and the grid synchronization technique is realized using Virtex‐6 FPGA ML605 evaluation kit. The performance of the system is analyzed by conducting a time‐domain simulation in the Matlab/Simulink platform and its performance is examined in the HIL environment. The simulation and the hardware cosimulation results are presented to validate the effectiveness of the proposed control scheme.
An efficient in‐network caching decision algorithm for Internet of things
Authors: Doan Van Dong , Ai Qingsong 
Published: February 2018

SummaryRecently, content‐centric networking (CCN) has become one of the important technologies for enabling the future networks. Along with its recognized potentialities as a content retrieval and dissemination solution, CCN has been also recently considered as a promising architecture for the Internet of things (IoT), because of 2 main features such as named‐based routing and in‐network caching. However, IoT is characterized by challenging features: small storage capacity of resource‐constrained devices due to cost and limitation of energy and especially transient data that impose stringent requirements on the information freshness. As a consequence, the intrinsic caching mechanisms existing in CCN approach do not well suit IoT domains; hence, providing a specific caching policy at intermediate nodes is a very challenging task. This paper proposes an effective multiattribute in‐network caching decision algorithm that performs a caching strategy in CCN‐IoT network by considering a set of crucial attributes including the content store size, hop count, particularly key temporal properties like data freshness, and the node energy level. Simulation results proved that our proposed approach outperforms 2 cache management schemes (probabilistic least recently used and AlwaysCache–first in first out in terms of improving total hit rate, reducing data retrieval delay, and enhancing content reusability in IoT environment).
Cytologic features of needle aspiration of ovarian sex cord tumor with annular tubules: Report of two cases and literature review
Authors: Chen Xiaowei , Crapanzano John P. , Gonzalez Abel A. , Hamele‐Bena Diane 
Published: February 2018

ABSTRACTSex cord tumor with annular tubules (SCTAT) is a rare ovarian tumor with characteristic microscopic morphologic features. Diagnosis most often is based on examination of tissue specimens. Cytologic features of this tumor rarely have been described in the English literature. Herein, we report cytologic findings of cyst aspiration fluid in two cases of SCTAT, with cyto‐histologic correlation.