bluuebunny/crossref_metadata_2025 huggingface dataset:
Controlling Magnetic and Optical Properties of the van der Waals Crystal CrCl3−xBrx via Mixed Halide Chemistry
Authors: Abramchuk Mykola , Jaszewski Samantha , Metz Kenneth R. , Osterhoudt Gavin B. , Wang Yiping , Burch Kenneth S. , Tafti Fazel
Published: May 2018

Magnetic van der Waals (vdW) materials are the centerpiece of atomically thin devices with spintronic and optoelectronic functions. Exploring new chemistry paths to tune their magnetic and optical properties enables significant progress in fabricating heterostructures and ultracompact devices by mechanical exfoliation. The key parameter to sustain ferromagnetism in 2D is magnetic anisotropy—a tendency of spins to align in a certain crystallographic direction known as easy‐axis. In layered materials, two limits of easy‐axis are in‐plane (XY) and out‐of‐plane (Ising). Light polarization and the helicity of topological states can couple to magnetic anisotropy with promising photoluminescence or spin‐orbitronic functions. Here, a unique experiment is designed to control the easy‐axis, the magnetic transition temperature, and the optical gap simultaneously in a series of CrCl3−xBrx crystals between CrCl3 with XY and CrBr3 with Ising anisotropy. The easy‐axis is controlled between the two limits by varying spin–orbit coupling with the Br content in CrCl3−x Brx. The optical gap, magnetic transition temperature, and interlayer spacing are all tuned linearly with x. This is the first report of controlling exchange anisotropy in a layered crystal and the first unveiling of mixed halide chemistry as a powerful technique to produce functional materials for spintronic devices.
Novel and Facile Route for the Synthesis of Tunable Boron Nitride Nanotubes Combining Atomic Layer Deposition and Annealing Processes for Water Purification
Authors: Weber Matthieu , Iatsunskyi Igor , Coy Emerson , Miele Philippe , Cornu David , Bechelany Mikhael
Published: May 2018

The synthesis of tunable boron nitride (BN) nanotubes is the subject of intense research because of their potential applications in various fields, from smart textile materials to emerging environmental technologies. However, the preparation of these nanomaterials remains extremely challenging. Herein, proof‐of‐concept results on the scalable synthesis of boron nitride nanotubes with tunable dimensions are reported. Combining atomic layer deposition (ALD) of boron nitride on carbon nanofibers template supports and successive annealing steps at high temperature, BN nanotubes with controllable properties are prepared. The successive annealing steps enable the crystallization of BN and the combustion of the initial carbon supports. The self‐limiting nature of the ALD process allows for the scalable coating of large scale carbon fibers matrix. High‐resolution transmission electron microscopy measurements demonstrate the exquisite dimensions control at the nanoscale and the presence of crystalline BN. The proof‐of‐concept results presented allow for independent control of the inner and external diameter dimensions, opening up unique possibilities for the precise engineering of BN nanotubes properties. The nanotubes present good mechanical properties, are easy to handle, and the assessment of their sorption properties shows that they absorb up to 110 times their own weight in oils while repelling water, which opens prospects for water purification.
Colloidal Synthesis of Mo–Ni Alloy Nanoparticles as Bifunctional Electrocatalysts for Efficient Overall Water Splitting
Authors: Zhang Taotao , Liu Xiaowang , Cui Xin , Chen Meilin , Liu Shoujie , Geng Baoyou
Published: May 2018

The practical use of overall water electrolysis is largely hindered by the need for precious noble metal‐based catalysts. Here, the colloidal synthesis of earth‐abundant electrocatalysts of Mo–Ni nanoparticles for efficient water splitting by thermal decomposition of Ni(acac)2 and Mo(CO)6 in the presence of 1‐octadecene and oleylamine at 320 °C is reported. It is shown that the optimized catalysts (Mo0.6Ni0.4) only require low overpotentials of 0.065 V for the hydrogen evolution reaction (HER) and of 290 mV for the oxygen evolution reaction (OER) to deliver a current density of 10 mA cm−2 in KOH (1.0 m). The as‐prepared Mo–Ni alloy nanoparticles also show extraordinary durability for both the HER and OER. A low potential of ≈1.62 V is required to yield a current density of 10 mA cm−2 when utilizing the alloy nanoparticles as bifunctional catalysts in a two‐electrode electrolyzer system. The ease of preparing either rigid or flexible high‐performance electrodes by making use of the alloy nanoparticle electrocatalysts without the need for binder further suggests the attractive application of colloidally stable nanoparticles in the field of electrochemical water splitting.
Structural Locality and Early Stage of Aggregation of Micelles in Water: An Adaptive Resolution Molecular Dynamics Study
Authors: Shadrack Jabes B. , Klein Rupert , Delle Site Luigi
Published: May 2018

The adaptive resolution simulation technique is employed to perform molecular dynamics simulations of a single micelle and two micelles in water. It is shown how, by identifying the essential atomistic degrees of freedom in the solvation process, the adaptive technique can be used to devise an optimal strategy for studying the aggregation of two micelles with atomistic accuracy and at a reduced computational cost. Atomistic accuracy is highly desired in such studies; in fact, if any water‐mediated effect that requires the explicit hydrogen bond network is present, then the adaptive resolution will be able to describe it. Instead, this is not possible if a generic coarse‐grained model, for example, spherical molecules without orientational bonds, is employed. In particular, the potential of mean force for the aggregation of two micelles is calculated and it is shown that the results obtained agree in a satisfactory way with the full atomistic simulation of reference. In perspective, this paper offers an example of how similar systems/problems can be efficiently treated with the adaptive resolution technique.
A New Simulation Approach for Performance Prediction of Vertically Integrated Nanogenerators
Authors: Doumit Nicole , Poulin‐Vittrant Guylaine
Published: May 2018

The vertically integrated nanogenerator (VING) is one of the most used designs in mechanical energy harvesting using piezoelectric nanowires, due to its easiest manufacturing process. Here, a new modeling approach is presented in order to reduce the computation time of a whole VING finite element simulation. In this work, the effect of the polymer layer (Parylene C), in which nanowires are immersed, on the electromechanical behavior of the whole VING is taken into account. The active part of the VING (nanowires–polymer composite) is considered as a 1–3 piezocomposite. It is formed with ZnO piezoelectric nanowires; however, this study can be applied to any type of piezoelectric nanowires (PZT, GaN, PVDF, etc.) and matrix materials (PDMS, PMMA, Al2O3, etc.). The present method relies on the finite element method applied to a single nanowire‐composite cell in open‐circuit condition, combined with an analytical modeling of the full VING. This approach allows the computation time to be drastically reduced without inducing significant approximation errors. The expected maximum power, internal capacitance, and optimum resistance can be deduced thanks to this efficient modeling tool, offering wide perspectives for the optimization of such VING devices.
Simultaneous Imaging of Ribonucleic Acid and Hydrogen Sulfide in Living Systems with Distinct Fluorescence Signals Using a Single Fluorescent Probe
Authors: Liu Yong , Niu Jie , Wang Weishan , Ma Yanyan , Lin Weiying
Published: May 2018

Ribonucleic acid (RNA) and hydrogen sulfide (H2S) are important genes and gaseous signal molecules in physiological environment. However, simultaneous investigation of distribution and interrelation of RNA and H2S in living systems is restricted by lack of functional molecular tools. To address this critical challenge, the development of TP‐MIVC is described as the first paradigm of the probes that can concurrently report ribonucleic acid and hydrogen sulfide with distinct fluorescence signals in the cancer cells, zebrafish, and living animals. The advantageous features of the probe include high stability, low background fluorescence, high sensitivity, and two‐photon imaging property. Significantly, regardless of normal mice or tumor mice, tumor tissues exhibit stronger fluorescence intensity than other organs. More interestingly, it is found that TP‐MIVC is capable of distinguishing normal mice and tumor mice by in vivo imaging. This study may open a new pathway for distinguishing malignant and benign tumor by fluorescence imaging of RNA.
Er3+ Sensitized 1530 nm to 1180 nm Second Near‐Infrared Window Upconversion Nanocrystals for In Vivo Biosensing
Authors: Liu Lu , Wang Shangfeng , Zhao Baozhou , Pei Peng , Fan Yong , Li Xiaomin , Zhang Fan
Published: May 2018

Fluorescent bioimaging in the second near‐infrared window (NIR‐II) can probe deep tissue with minimum auto‐fluorescence and tissue scattering. However, current NIR‐II fluorophore‐related biodetection in vivo is only focused on direct disease lesion or organ bioimaging, it is still a challenge to realize NIR‐II real‐time dynamic biosensing. A new type of Er3+ sensitized upconversion nanoparticles are presented with both excitation (1530 nm) and emission (1180 nm) located in the NIR‐II window for in vivo biosensing. The microneedle patch sensor for in vivo inflammation dynamic detection is developed based on the ratiometric fluorescence by combining the effective NIR‐II upconversion emission and H2O2 sensing organic probes under the Fenton catalysis of Fe2+. Owing to the large anti‐Stokes shifting, low auto‐fluorescence, and tissue scattering of the NIR‐II upconversion luminescence, inflammation can be dynamically evaluated in vivo at very high resolution (200×200 μm).
A Long Cycle Life, Self‐Healing Zinc–Iodine Flow Battery with High Power Density
Authors: Xie Congxin , Zhang Huamin , Xu Wenbin , Wang Wei , Li Xianfeng
Published: May 2018

A zinc–iodine flow battery (ZIFB) with long cycle life, high energy, high power density, and self‐healing behavior is prepared. The long cycle life was achieved by employing a low‐cost porous polyolefin membrane and stable electrolytes. The pores in the membrane can be filled with a solution containing I3− that can react with zinc dendrite. Therefore, by consuming zinc dendrite, the battery can self‐recover from micro‐short‐circuiting resulting from overcharging. By using KI, ZnBr2, and KCl as electrolytes and a high ion‐conductivity porous membrane, a very high power density can be achieved. As a result, a ZIFB exhibits an energy efficiency (EE) of 82 % at 80 mA cm−2, which is 8 times higher than the currently reported ZIFBs. Furthermore, a stack with an output of 700 W was assembled and continuously run for more than 300 cycles. We believe this ZIFB can lead the way to development of new‐generation, high‐performance flow batteries.
Eosin Y as a Direct Hydrogen‐Atom Transfer Photocatalyst for the Functionalization of C−H Bonds
Authors: Fan Xuan‐Zi , Rong Jia‐Wei , Wu Hao‐Lin , Zhou Quan , Deng Hong‐Ping , Tan Jin Da , Xue Cheng‐Wen , Wu Li‐Zhu , Tao Hai‐Rong , Wu Jie
Published: May 2018

Eosin Y, a well‐known economical alternative to metal catalysts in visible‐light‐driven single‐electron transfer‐based organic transformations, can behave as an effective direct hydrogen‐atom transfer catalyst for C−H activation. Using the alkylation of C−H bonds with electron‐deficient alkenes as a model study revealed an extremely broad substrate scope, enabling easy access to a variety of important synthons. This eosin Y‐based photocatalytic hydrogen‐atom transfer strategy is promising for diverse functionalization of a wide range of native C−H bonds in a green and sustainable manner.
Formal Nickelate(−I) Complexes Supported by Group 13 Ions
Authors: Vollmer Matthew V. , Xie Jing , Cammarota Ryan C. , Young Victor G. , Bill Eckhard , Gagliardi Laura , Lu Connie C.
Published: May 2018

Formal nickelate(−I) complexes bearing Group 13 metalloligands (M=Al and Ga) were isolated. These 17 e− complexes were synthesized by one‐electron reduction of the corresponding Ni0→MIII precursors, and were investigated by single‐crystal X‐ray diffraction, EPR spectroscopy, and quantum chemical calculations. Collectively, the experimental and computational data support: 1) the strengthening of the Ni−M bond upon one‐electron reduction, and 2) the delocalization of the unpaired spin across the Ni and M atoms. An intriguing electronic configuration is revealed where three valence electrons occupy two σ‐type bonding interactions: Ni(3d
)2→M and σ‐(Ni−M)1. The latter is an unusual Ni−M σ‐bonding molecular orbital that comprises primarily the Ni 4pz and M npz/ns atomic orbitals.
Die Interhalogenkationen [Br2F5]+ und [Br3F8]+
Authors: Ivlev Sergei I. , Karttunen Antti J. , Buchner Magnus R. , Conrad Matthias , Kraus Florian
Published: May 2018

Die bislang einzigen Polyhalogenkationen, in denen verbrückende Fluoratome vorliegen, wurden synthetisiert und charakterisiert. Das [Br2F5]+‐Kation enthält eine symmetrische [F2Br‐μ‐F‐BrF2]‐Brücke, das [Br3F8]+‐Kation enthält unsymmetrische μ‐F‐Brücken. Die Fluoronium‐Ionen wurden in Form ihrer [SbF6]−‐Salze erhalten und Raman‐ und 19F‐NMR‐spektroskopisch sowie durch Röntgenbeugung am Einkristall untersucht. Quantenchemische Rechnungen, sowohl für die isolierten Kationen in der Gasphase als auch für die Festkörper selbst, wurden durchgeführt. Populationsanalysen ergaben, dass die μ‐F‐Atome die am stärksten negativ partialgeladenen Atome der Kationen sind.
Amorphous Pure Organic Polymers for Heavy‐Atom‐Free Efficient Room‐Temperature Phosphorescence Emission
Authors: Ma Xiang , Xu Chao , Wang Jie , Tian He
Published: May 2018

Pure organic, heavy‐atom‐free room‐temperature phosphorescence (RTP) materials have attracted much attention and have potential applications in photoelectric and biochemical material fields owing to their rich excited state properties. They offer long luminescent lifetime, diversified design, and facile preparation. However, recent achievements of efficient phosphorescence under ambient conditions mainly focus on ordered crystal lattices or embedding into rigid matrices, which require strict growth conditions and have poor reproducibility. Herein, we developed a concise approach to give RTP with a decent quantum yield and ultralong phosphorescence lifetime in the amorphous state by radical binary copolymerization of acrylamide and different phosphors with oxygen‐containing functional groups. The cross‐linked hydrogen‐bonding networks between the polymeric chains immobilize phosphors to suppress non‐radiative transitions and provide a microenvironment to shield quenchers.
Trimethyl Orthoacetate and Ethylene Glycol Mono‐Vinyl Ether as Enolate Surrogates in Enantioselective Iridium‐Catalyzed Allylation
Authors: Sempere Yeshua , Carreira Erick M.
Published: May 2018

Trimethyl orthoacetate and ethylene glycol mono‐vinyl ether are employed in iridium‐catalyzed enantioselective allylation reactions. The method documented enables their convenient use as surrogates for silyl ketene acetals and silyl enol ethers to prepare γ,δ‐unsaturated esters and protected aldehydes with excellent enantioselectivity. The utility of this novel method has been demonstrated by its implementation in a formal enantioselective synthesis of the meroterpenoid (+)‐conicol.
The Interhalogen Cations [Br2F5]+ and [Br3F8]+
Authors: Ivlev Sergei I. , Karttunen Antti J. , Buchner Magnus R. , Conrad Matthias , Kraus Florian
Published: May 2018

The synthesis and characterization of unique polyhalogen cations containing μ‐bridging fluorine atoms are reported. The [Br2F5]+ cation features a symmetric [F2Br–μ‐F–BrF2] bridge, whereas the [Br3F8]+ contains asymmetric μ‐F bridges. These fluoronium ions, obtained as [SbF6]− salts, were investigated using Raman and 19F NMR spectroscopy, as well as single‐crystal X‐ray diffraction. Quantum chemical calculations were carried out for the gas‐phase cations as well as for the solid‐state compounds. Population analyses show the μ‐F atoms to possess the most negative partial charge within the cations.
Oligomeric Composition of Polyols From Fatty Acid Methyl Ester: The Effect of Ring‐Opening Reactants of Epoxide Groups
Authors: Tuan Ismail Tuan Noor Maznee , Ibrahim Nor Azowa , Mohd Noor Mohd Azmil , Hoong Seng Soi , Poo Palam Kosheela Devi , Yeong Shoot Kian , Idris Zainab , Schiffman Christi M. , Sendijarevic Ibrahim , Abd Malek Emilia , Zainuddin Norhazlin , Sendijarevic Vahid
Published: May 2018

Commercial availability of fatty acid methyl ester (FAME) from palm oil targeted for biodiesel offers a good feedstock for the production of structurally well‐defined polyols for polyurethane applications. The effect of molecular weight (MW), odd and even carbon numbers, and the linear and branched structure reactants used in the ring‐opening reaction of epoxidized fatty acid methyl ester (E‐FAME) on the properties of polyols was investigated. Conversions of E‐FAME to PolyFAME polyols were confirmed by Fourier transform infrared analysis, oxirane oxygen content, and hydroxyl number. Gel permeation chromatography (GPC) calibrated against polyether polyols as a standard and vapor pressure osmometry were used for MW determination. GPC chromatograms of PolyFAME polyols clearly demonstrated the formation of oligomers during ring‐opening reactions. MW, and odd and even carbon numbers in a structure of linear diols and branched diol used in the syntheses of PolyFAME polyols did not have an effect on crystallinity, glass transition, or melt temperatures measured using Differential scanning calorimetry (DSC). PolyFAME polyols ring‐opened with water, methanol, and 1,2‐propanediol contained secondary hydroxyl groups, whereas PolyFAME polyols ring‐opened with linear diols contained a mixture of primary and secondary hydroxyl groups. It was found that the concentration of primary hydroxyl groups increased significantly by increasing the number of carbons from C2 to C3 in the linear diols. The viscosity of PolyFAME polyols also increased with the MW of linear diols used in the E‐FAME ring‐opening reaction. These findings would be beneficial for formulators in choosing the most cost effective polyols for polyurethane formulations.
Core–shell PVA/gelatin nanofibrous scaffolds using co‐solvent, aqueous electrospinning: Toward a green approach
Authors: Sengor Mustafa , Ozgun Alp , Corapcioglu Gulcan , Ipekoglu Mehmet , Garipcan Bora , Ersoy Nuri , Altintas Sabri
Published: May 2018

Electrospinning (ES) of gelatin often requires cytotoxic organic solvents or acidic environments, which deteriorate cell recognition sites. In this study, aqueous, non‐toxic, co‐solvent ES was performed to obtain core–shell poly(vinyl alcohol) (PVA)/gelatin nanofiber scaffolds. Effects of the core/shell feed rate ratio (FRR) were investigated on a morphological and mechanical basis. PVA:gelatin ratio of 1:4 was the limiting ratio for specific voltage and electrode distance parameters to obtain uniform fibers. Core–shell bead‐free structures were obtained at 8% PVA and gelatin aqueous solutions. A mean diameter of 280 nm was obtained for 1:1 FRR at 15 kV and 15 cm of electrode distance. Crosslinking resulted in slight improvement in tensile strengths and severe decrease in ductility. Fourier transform infrared spectra revealed retention and improvement of stable secondary structures of gelatin after ES. The scaffolds almost degraded more than 60% in 14 days. Based on the results, present scaffolds hold great promise as suitable candidates for biomedical applications. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46582.
Rapid screening test for flame retardation of wood, and its applicability to thermoplastic polymer systems
Authors: Deans Taneisha , Li Yuqin , Jefferson Lamia , Schiraldi David A.
Published: May 2018

A rapid screening process was developed to investigate the flame‐retardant properties of new materials and compositions. Wooden tongue depressors (“sticks”) were coated in solutions/suspensions of compositions of interest and tested in a method similar to that of the UL‐94 vertical burn test. The concentration of additives applied to the wooden sticks, as well as the additive application and drying times influenced the burning performance of the sticks, a useful screening method for testing flame retardants applied to wood products. The most promising combination of flame retardants from the wooden stick tests were then compounded into polyolefins, which were tested according to the UL(94) vertical burn protocol. A strong correlation was found between UL(94) results for low density polyethylene, high density polyethylene and polypropylene, and the wooden stick flammability data. This test, therefore, shows promise as a simple, inexpensive, and rapid way to screen new materials and compositions for flammability. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46602.
“Japan is back”: Autonomy and balancing amidst an unstable China–U.S.–Japan triangle
Authors: Fatton Lionel P.
Published: May 2018

Japan's security policy has changed dramatically in recent years. The country balances harder against China, and its armed forces are increasingly autonomous from their American counterparts. What explains Japan's growing autonomy and balancing tendency after decades of relative apathy? I argue that this new strategic orientation results from unprecedented doubts about the effectiveness of its traditional security policy amidst an unstable China–U.S.–Japan triangular relationship. Tokyo is increasingly uncertain about American security commitments in the face of a more assertive China. As both the alliance with the United States and the accommodation of China are becoming unsuitable strategies for guaranteeing national security, Japan reverts to a more autonomous and resolute posture. Japan's new security policy will have important consequences for the triangular relationship.
The antitumor effect of static and extremely low frequency magnetic fields against nephroblastoma and neuroblastoma
Authors: Yuan Lin‐Qing , Wang Can , Zhu Kun , Li Hua‐Mei , Gu Wei‐Zhong , Zhou Dong‐Ming , Lai Jia‐Qi , Zhou Duo , Lv Yao , Tofani Santi , Chen Xi
Published: May 2018

Certain magnetic fields (MF) have potential therapeutic antitumor effect whereas the underlying mechanism remains undefined. In this study, a well‐characterized MF was applied to two common childhood malignancies, nephroblastoma and neuroblastoma. This MF has a time‐averaged total intensity of 5.1 militesla (mT), and was generated as a superimposition of a static and an extremely low frequency (ELF) MF in 50 Hertz (Hz). In nephroblastoma and neuroblastoma cell lines including G401, CHLA255, and N2a, after MF exposure of 2 h per day, the cell viability decreased significantly after 2 days. After 3 days, inhibition rates of 17–22% were achieved in these cell lines. Furthermore, the inhibition rate was positively associated with exposure time. On the other hand, when using static MF only while maintaining the same time‐averaged intensity of 5.1 mT, the inhibition rate was decreased. Thus, both time and combination of ELF field were positively associated with the inhibitory effect of this MF. Exposure to the field decreased cell proliferation and induced apoptosis. Combinational use of MF together with chemotherapeutics cisplatin (DDP) was performed in both in vitro and in vivo experiments. In cell lines, combinational treatment further increased the inhibition rate compared with single use of either DDP or MF. In G401 nephroblastoma tumor model in nude mice, combination of MF and DDP resulted in significant decrease of tumor mass, and the side effect was limited in mild liver injury. MF exposure by itself did not hamper liver or kidney functions. In summary, the antitumor effect of an established MF against neuroblastoma and nephroblastoma is reported, and this field has the potential to be used in combination with DDP to achieve increased efficacy and reduce side effects in these two childhood malignancies. Bioelectromagnetics. 39:375–385, 2018. © 2018 Wiley Periodicals, Inc.
The behavioral study on the interactive aggravation between pruritus and depression
Authors: Wang Xiao‐Dong , Yang Gang , Bai Yang , Feng Yu‐Peng , Li Hui
Published: May 2018

Background

The interactive aggravation of pruritus and depression is well‐known, but an appropriate experimental model that could mimic this behavioral phenomenon is still lacking. Thus, a systematic animal behavioral investigation was carried out in this study. This will promote the research and treatment of pruritus and depression.

Methods

The 2,4‐dinitrofluorobenzene (DNFB)‐induced chronic itch model was established to measure the depression index by forced swimming test (FST), tail suspension test (TST), and splash test (ST). The chronic unpredicted mild stress (CUMS)‐induced depression model was established to measure spontaneous itch and acute histamine or chloroquine‐induced itch behaviors. A depression and itch combining model was also established to measure the scratching and depression behaviors. The motor function of DNFB mice was analyzed by the rotarod test.

Results

The scratching number, the immobility time in the FST and TST, and the grooming number in the ST test were all significantly increased in the chronic itch model. Mice receiving CUMS treatment showed significantly increased spontaneous scratching number, immobility time in the FST and TST tests, and grooming number in the ST. The combined model showed increased immobility time in FST and TST tests and increased grooming number in ST comparing to the depression model, and showed increased scratching number comparing to the chronic itch model. After histamine (His) or chloroquine (CQ) injection, the scratching numbers of CUMS mice were all significantly increased compared to those of His‐ and CQ‐control, respectively. Anti‐depression drug ketamine could significantly inhibit the depression‐like behaviors of CUMS mice, and simultaneously stopped the promoting effect on His‐induced acute itch.

Conclusions

This study established an appropriate cross aggravation experimental mode and demonstrated that there is cross aggravation between pruritus and depression. The illumination of related mechanisms underlying this cross aggravation effect will provide theoretical basis for the prevention and treatment of depression and pruritus.
A fast garment fitting algorithm using skeleton‐based error metric
Authors: Wu Nannan , Deng Zhigang , Huang Yue , Liu Chen , Zhang Dongliang , Jin Xiaogang
Published: May 2018

We present a fast and automatic method to fit a given 3D garment onto a human model with various shapes and poses, without using a reference human model. Our approach uses a novel skeleton‐based error metric to find the pose that best fits the input garment. Specifically, we first generate the skeleton of the given human model and its corresponding skinning weights. Then, we iteratively rotate each bone to find its best position to fit the garment. After that, we rig the surface of the human model according to the transformations of the skeleton. Potential penetrations are resolved using collision handling and physically based simulation. Finally, we restore the human model back to the original pose in order to obtain the desired fitting result. Our experiment results show that besides its efficiency and automation, our method is about two orders of magnitudes faster than existing approaches, and it can handle various garments, including jacket, trousers, skirt, a suit of clothing, and even multilayered clothing.
Effects of interface on procedural skill transfer in virtual training: Lifeboat launching operation study
Authors: Jung Jinki , Ahn Young Joong
Published: May 2018

A comparative study assessing the effect of interface type on procedural skill transfer during virtual training is presented. The aim of this research is to evaluate the transferability of two aspects of procedural skills, that is, procedural knowledge and technical skills. We established one group with a lecture and three virtual training groups with a combination of output and input devices: a monitor and keyboard/mouse, a head‐mounted display (HMD) and joypad, and an HMD and wearable sensors. The task for assessment was a lifeboat launching operation that requires a participant to memorize a 10‐step procedure utilizing 14 different pieces of equipment that should be manipulated in each step. Before and after training, we evaluated the participants' procedural knowledge and technical skill on a real lifeboat. The monitor and keyboard/mouse group showed the best performance in a procedural knowledge assessment that addressed visually induced recollections from the real lifeboat. Alternatively, in the assessment of technical skills that determined manipulation ability that requires word‐based mnemonics, the HMD and wearable sensors group outperformed the other groups. Moreover, the results showed that the virtual training was a more efficient training format for short‐term training than a lecture due to the freedom of observation viewpoint, despite simulator sickness.
The semantic space for motion‐captured facial expressions
Authors: Castillo S. , Legde K. , Cunningham D. W.
Published: May 2018

We cannot not communicate! During our daily lives, we convey information verbally and nonverbally. Most of the affective meaning of a message is transferred with the help of facial expressions, and thereby, when trying to establish a realistic human‐like virtual character, we should pay close attention to the animation. Motion capture is one of the most common techniques, but due to the wide range of expressions humans use, the recording time and data needed are vast. To address this problem, we propose the use of semantic spaces as they help in characterizing and positioning expressions by finding a correlation between them. In this paper, we extend prior research by providing the semantic spaces underlying real videos and motion capture data for a total of 62 conversational expressions. Our results highly correlate with previous work, showing that our new expressions were correctly recognized. Moreover, our results can be used in future work to directly project potential new recordings of these 62 expressions on the found spaces.
Evaluating enjoyment, presence, and emulator sickness in VR games based on first‐ and third‐ person viewing perspectives
Authors: Monteiro Diego , Liang Hai‐Ning , Xu Wenge , Brucker Marvin , Nanjappan Vijayakumar , Yue Yong
Published: May 2018

Many virtual reality (VR) games are based on a first‐person perspective (1PP). There are, however, advantages in using another perspective, such as the third‐person perspective (3PP). Although there has been some research evaluating the effect of 1PP and 3PP in gameplay experiences, it is largely unexplored for VR games played via the new generation of commercial head‐mounted display systems, such as the Oculus Rift. In this research we want to shed some light on the relationship between the different perspectives, when games are played using head‐mounted display VR, and simulator sickness, enjoyment, and presence. To do so, we perform an experiment using two different perspectives (1PP and 3PP) and displays (VR and a conventional display) with a popular game. Our findings indicate that 3PP‐VR is less likely to make people have simulator sickness when compared with 1PP‐VR. However, the former is not perceived as immersive, but this might not be a problem because our data also show that presence is not mandatory for enjoyment. Also, the data suggest that there is no clear preference between 1PP‐VR and 3PP‐VR for gameplay.
Overexpression of genes associated with hypoxia in cattle adapted to Trans Himalayan region of Ladakh
Authors: Verma Preeti , Sharma Ankita , Sodhi Monika , Thakur Kiran , Bharti Vijay K , Kumar Prabhat , Giri Arup , Kalia Sahil , Swami Shelesh Kumar , Mukesh Manishi
Published: May 2018

Ladakh is an important part of the Trans‐Himalayan region located between the Kunlun mountain range in the north and the main Great Himalayas to the south in the state of Jammu and Kashmir of India. The local cattle from Leh and Ladakh region, known as “Ladakhi cattle” is a unique germplasm having an excellent adaptation potential to high altitude hypobaric stress. In the present study, an effort was made to evaluate the transcriptional pattern of hypoxia inducing factor‐1 (HIF‐1) and several of its regulated genes in PBMCs of local Ladakhi cattle, Holstein Frisian crosses, Jersey (exotic) maintained at high altitude region and Sahiwal (Bos indicus) and Karan Fries (cross bred) cattle maintained in tropical environment. The combined data set indicated increased expression of HIF‐1 and its regulated genes viz., glucose transporter 1 (GLUT1), vascular endothelial growth factor (VEGF), and hexokinase (HK2) in high altitude cattle indicating their importance in maintaining cellular homeostasis during high altitude hypoxia. The data indicated that hypoxia associated genes accumulated under hypoxic conditions are part of an essential adaptive component for adaptation to the high altitude of the trans‐Himalayan region. In contrary, higher expression of molecular chaperons’ viz., HSP70 and HSP90 in tropically adapted cattle give tolerance to high ambient temperature prevalent in tropical condition. In conclusion, HIF‐1 and its regulatory genes could be termed as important candidates for producing homeostatic responses to hypoxia in cattle populations reared in higher altitudes of the Trans‐Himalayan region.
Oxygen Reduction on Fe‐ and Co‐Containing Nitrogen‐Doped Nanocarbons
Authors: Kisand Kaarel , Sarapuu Ave , Peikolainen Anna‐Liisa , Seemen Helina , Kook Mati , Käärik Maike , Leis Jaan , Sammelselg Väino , Tammeveski Kaido
Published: May 2018

Cobalt‐ and iron‐containing nitrogen‐doped carbon nanomaterials are synthesised from 5‐methylresorcinol‐formaldehyde resin nanospheres by pyrolysis in the presence of nitrogen and metal precursors. Two approaches used for the synthesis yield the catalysts of different morphology, consisting of spherical or irregular porous carbon structures. The electrocatalytic properties of the materials towards the oxygen reduction reaction (ORR) in alkaline solution are evaluated by thin‐film rotating disk electrode method. The catalysts containing transition metals exhibit enhanced electrocatalytic activity for ORR as compared to the metal‐free nitrogen‐doped materials, cobalt‐containing catalysts being slightly more active than iron‐based materials. The structure and surface composition of the materials are characterised by scanning electron microscopy, N2 adsorption studies and X‐ray photoelectron spectroscopy.
Composite Electrocatalyst Derived from Hybrid Nitrogen‐Containing Metal Organic Frameworks and g‐C3N4 Encapsulated In Situ into Porous Carbon Aerogels
Authors: Zhu Hong , Chen Minglin , Li Ke , Huang Xidai , Wang Fanghui
Published: May 2018

A novel composite Fe‐bpdc‐C3N4‐CA catalyst (where bpdc stands for 2,2′‐bipyridine‐3,3′‐dicarboxylic acid and CA stands for carbon aerogel) with a high nitrogen content was synthesized through the in situ encapsulation of nitrogen‐containing metal organic frameworks along with g‐C3N4 into porous CAs. The characteristics of the catalysts calcined at different temperatures were determined by means of TEM, XRD, Raman spectroscopy, XPS, and BET measurements. The results demonstrate the successful doping of N heteroatoms and the effective formation of Fe‐NX active sites. The electrocatalytic properties were investigated by using rotating disk electrode (RDE) and rotating ring disk electrode (RRDE) measurements. The Fe‐bpdc‐C3N4‐CA catalyst calcined at 800 °C exhibits the highest oxygen reduction reaction activity with the initial reduction potential and half‐wave potential reaching 1.09 and 0.96 V, respectively, versus RHE in 0.1 M KOH. It also possesses high stability and follows approximately a complete four‐electron (4e−) reaction pathway, as commercial Pt/C catalysts do.
Influence of the Crystal Structure of Titanium Oxide on the Catalytic Activity of Rh/TiO2 in Steam Reforming of Propane at Low Temperature
Authors: Yu Lin , Sato Katsutoshi , Toriyama Takaaki , Yamamoto Tomokazu , Matsumura Syo , Nagaoka Katsutoshi
Published: May 2018

Solid oxide fuel cells (SOFCs) with liquefied petroleum gas (LPG) reduce CO2 emissions due to their high‐energy‐conversion efficiency. Although SOFCs can convert LPG directly, coking occurs easily by decomposition of hydrocarbons, including C−C bonds on the electrode of fuel cell stacks. It is therefore necessary to develop an active steam pre‐reforming catalyst that eliminates the hydrocarbons at low temperature, in which waste heat of SOFCs is used. Herein, we show that the crystal structure of the TiO2 that anchors Rh particles is crucial for catalytic activity of Rh/TiO2 catalysts for propane pre‐reforming. Our experimental results revealed that strong metal support interaction (SMSI) induced during H2 pre‐reduction were optimized over Rh/TiO2 with a rutile structure; this catalyst catalyzed the reaction much more effectively than conventional Rh/γ‐Al2O3. In contrast, the SMSI was too strong for Rh/TiO2 with an anatase structure, and the surface of the Rh particles was therefore covered mostly with partially reduced TiO2. The result was very low activity.
Relativistic Effects on Donor–Acceptor Interactions in Coinage Metal Carbonyl Complexes [TM(CO)n]+ (TM=Cu, Ag, Au; n=1, 2)
Authors: Poggel Christina , Frenking Gernot
Published: May 2018

DFT calculations at the BP86+D3(BJ)/TZ2P level, with and without relativistic contributions, using the ZORA approximation have been carried out for the coinage metal carbonyl complexes [TM(CO)]+ and [TM(CO)2]+ with TM=Cu, Ag, Au. The nature of the metal‐CO interactions and the relativistic effects on the different energy terms were analyzed with the EDA‐NOCV method. The three terms Pauli repulsion, Coulomb attraction, and orbital interactions become stronger when relativistic effects are accounted for; the strengthening exhibits the order ΔEPauli>ΔEelstat>ΔEorb. The largest change in the calculated energy terms is, as expected, found for gold, followed by silver and copper. The relativistic contributions on the Cu+‐CO interactions are significant and thus, relativistic effects should not be neglected in quantum chemical calculations in copper compounds. Breakdown of the orbital term into individual contributions shows that the relativistic effect in [TM(CO)]+ is for the TM+←CO σ‐donation stronger than for TM+→CO π‐backdonation, except for TM=Cu. The trend in the dicarbonyls [TM(CO)2]+ has the order (+,+) σ‐donation > π‐backdonation > (+,−) σ‐donation. The bonding analysis reveals that there is a sizeable contribution from TM+→CO σ‐backdonation in all carbonyl complexes that further stabilizes the metal‐carbonyl bonds. In [Au(CO)2]+ it becomes even larger than the (+,−) OC→TM+←CO σ‐donation. The trends of the various orbital interactions and the effect of relativity on their strength can be understood when the valence orbitals of the metals and CO are considered.
Impact of delirium on patients hospitalized for myocardial infarction: A propensity score analysis of the National Inpatient Sample
Authors: Abdullah Abdullah , Eigbire George , Salama Amr , Wahab Abdul , Awadalla Mohanad , Hoefen Ryan , Alweis Richard
Published: May 2018

Background

Delirium is associated with worse outcomes in critically ill patients. In the subset of patients with myocardial infarction (MI), the impact on clinical outcomes of delirium is not as well elucidated.

Hypothesis

Delirium is associated with increased mortality in patients hospitalized for MI.

Methods

The study used data from the National Inpatient Sample 2012 to 2014, Healthcare Cost and Utilization Project. We included discharges associated with the primary diagnosis of MI using the relevant International Classification of Diseases, Ninth Revision, Clinical Modification codes. The outcome was inpatient mortality between the delirium group and propensity score–matched controls without delirium.

Results

The study included 1 330 020 weighted discharges with MI as the principal diagnosis. Within this cohort, 18 685 discharges (1.4%) had delirium. Delirium was associated with older age, lower rates of percutaneous coronary intervention, and increased comorbid conditions. The delirium group had higher mortality (10.5% vs 2.6%, P < 0.001). Propensity score–matching analysis showed increased mortality in the delirium group (10.5% vs 7.6%, relative risk: 1.39 [95% confidence interval: 1.2–1.6, P < 0.001) using nearest neighbor 1:1 matching.

Conclusions

In individuals with MI, delirium was associated with increased inpatient mortality.
A Hybrid Organogel of a Low Band Gap Diketopyrrolopyrrole with PC71BM: Phase Separated Morphology and Enhanced Photoconductivity
Authors: Ghosh Samrat , Das Satyajit , Saeki Akinori , Praveen Vakayil K. , Seki Shu , Ajayaghosh Ayyappanpillai
Published: May 2018

Organogels based on self‐assembled low band gap organic semiconductors are of great interest in the field of optoelectronics, although there are not many such systems known. Herein, we report a diketopyrrolopyrrole derivative (DPP‐Amide) with H‐bonding terminal groups that promote one‐dimensional (1D) assembly. This design leads to the formation of an organogelator having a low band gap of 1.5 eV, and near‐infrared (NIR) emission in the self‐assembled state. Furthermore, in the film state self‐assembled DPP‐Amide showed enhanced intrinsic photoconductivity when compared to isolated molecules upon the addition of different weight ratio of phenyl‐C71‐butyric acid methyl ester (PC71BM).
Enhancing the Kinetic Stability and Lifetime of Organic Light‐Emitting Diodes based on Bipolar Hosts by using Spiroconjugation
Authors: Son Won‐joon , Kwak Seung‐Yeon , Koo Hyun , Choi Byoungki , Kim Sunghan , Lee Hyo Sug , Whangbo Myung‐Hwan , Choi Hyeonho
Published: May 2018

We examined how to enhance the lifetime of organic light‐emitting diodes (OLEDs) based on bipolar host molecules ET‐HT, where ET and HT refer to electron‐ and hole‐transporting units, respectively, by analyzing their thermodynamic and kinetic stabilities. Our DFT calculations reveal that the thermodynamic stability of ET‐HT is determined by that of its anion, which is difficult to improve by chemical modifications of ET and HT. The kinetic stability of ET‐HT can be enhanced by the spiroconjugation between ET and HT, which occurs when their π‐frameworks are extended and have an orthogonal arrangement. Green OLED devices were fabricated by using ET‐HTs with and without spiroconjugation, to find that the device with spiroconjugation has a lifetime that is approximately 6 times longer than the one without spiroconjugation.
The Dorsal Column Lesion Model of Spinal Cord Injury and Its Use in Deciphering the Neuron‐Intrinsic Injury Response
Authors: Attwell Callan L. , van Zwieten Mike , Verhaagen Joost , Mason Matthew R. J.
Published: May 2018

The neuron‐intrinsic response to axonal injury differs markedly between neurons of the peripheral and central nervous system. Following a peripheral lesion, a robust axonal growth program is initiated, whereas neurons of the central nervous system do not mount an effective regenerative response. Increasing the neuron‐intrinsic regenerative response would therefore be one way to promote axonal regeneration in the injured central nervous system. The large‐diameter sensory neurons located in the dorsal root ganglia are pseudo‐unipolar neurons that project one axon branch into the spinal cord, and, via the dorsal column to the brain stem, and a peripheral process to the muscles and skin. Dorsal root ganglion neurons are ideally suited to study the neuron‐intrinsic injury response because they exhibit a successful growth response following peripheral axotomy, while they fail to do so after a lesion of the central branch in the dorsal column. The dorsal column injury model allows the neuron‐intrinsic regeneration response to be studied in the context of a spinal cord injury. Here we will discuss the advantages and disadvantages of this model. We describe the surgical methods used to implement a lesion of the ascending fibers, the anatomy of the sensory afferent pathways and anatomical, electrophysiological, and behavioral techniques to quantify regeneration and functional recovery. Subsequently we review the results of experimental interventions in the dorsal column lesion model, with an emphasis on the molecular mechanisms that govern the neuron‐intrinsic injury response and manipulations of these after central axotomy. Finally, we highlight a number of recent advances that will have an impact on the design of future studies in this spinal cord injury model, including the continued development of adeno‐associated viral vectors likely to improve the genetic manipulation of dorsal root ganglion neurons and the use of tissue clearing techniques enabling 3D reconstruction of regenerating axon tracts. © 2018 The Authors. Developmental Neurobiology Published by Wiley Periodicals, Inc. Develop Neurobiol 00: 000–000, 2018
N‐Doped Hollow Porous Carbon Spheres/Bismuth Hybrid Film Modified Electrodes for Sensitive Voltammetric Determination of Trace Cadmium
Authors: Qin Danfeng , Wang Le , Gao Sanshuang , Wang Ying , Mamat Xamxikamar , Li Yongtao , Wagberg Thomas , Cheng Hao , Hu Guangzhi
Published: May 2018

In this work, N‐doped hollow porous carbon spheres (N‐HPCSs) were synthesized by silicon dioxide template‐assisted polybenzoxazine (PB) coating strategy. The prepared N‐HPCSs have a smooth hollow ball structure surrounded by a well‐defined porous shell. Combining with in‐situ plating of Bi film, the N‐HPCSs were further fabricated a sensitive electrochemical platform for determination trace levels of Cd(II) by differential pulse anodic stripping voltammetry (DPASV). Under the optimized conditions, the Bi‐N‐HPCSs based sensor displays a linear response to Cd(II) over the range of 0.5 μg L−1 to 150 μg L−1. Meanwhile, the limit of detection (LOD, S/N=3) is estimated to be around 0.16 μg L−1 for Cd(II), which is 31 times lower than the safety values set by United States Environmental Protection Agency (EPA) for the drinking water. Moreover, the proposed method was successfully applied to detection of Cd(II) in tap water and lake water, and the analytical results of the presented method are agreed well with inductively coupled plasma‐mass spectrometry (ICP‐MS) data. Due to the excellent analytical performance, the fabricated electrode is promised for future development in monitoring of cadmium pollution in the environment.
Modeling temperature behaviors: Application to weather derivative valuation
Authors: Huang Jr‐Wei , Yang Sharon S. , Chang Chuang‐Chang
Published: May 2018

This article investigates temperature behavior to develop a temperature model. The proposed ARFIMA Seasonal GARCH model that allows for long memory effects and other important temperature properties provides better goodness of fits and forecasting accuracy using daily average temperatures in six U.S. cities. The effect of temperature behavior on pricing temperature derivatives is analyzed. We propose an equilibrium option pricing framework for HDD and CDD forward and option contracts under the ARFIMA Seasonal GARCH model. The investigation of temperature properties and the valuation framework in this study contributes to the development of a standardized temperature model for weather derivative markets.