bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomistic Origins of Ductility Enhancement in Metal Oxide Coated Silicon Nanowires for Li‐Ion Battery Anodes
Authors: Gao Anthony , Mukherjee Sankha , Srivastava Ijya , Daly Matthew , Singh Chandra Veer 
Published: October 2017

AbstractSilicon nanowires (SiNWs) are a promising anode material for Li‐ion batteries due to their exceptionally high charge capacity. However, direct implementation is hindered by large volume expansion induced during lithiation, which results in mechanical failure during repeated charge cycling. Recent experimental works show thin metal oxide coatings can significantly increase the cycle stability of SiNWs. However, the deformation mechanisms underpinning this performance enhancement are not understood, presenting an opportunity for a fundamental investigation of core–shell mechanics. In this study, molecular dynamics simulations investigating the mechanical behavior of silica‐ and alumina‐coated SiNWs under uniaxial tension are performed. Metal oxide coated nanowires possess significantly improved ductility, increasing the elongation to failure from 16% to greater than 47%. This occurs without significant reduction in tensile strength, resulting in apparent toughness 2–4 times that of uncoated nanowires. During loading, the oxide coating absorbs strain energy through breaking of bonds between highly coordinated atoms. At the same time, the coating maintains the structural integrity of the silicon core by increasing the defect nucleation rate from the core‐coating interface, preventing localized deformation. Under both athermal (0 K) and room temperature conditions, the underlying deformation mechanism changes from amorphization within a localized shear band to dislocation twinning and large‐scale amorphization.
Arrays of ZnSe/MoSe2 Nanotubes with Electronic Modulation as Efficient Electrocatalysts for Hydrogen Evolution Reaction
Authors: Wu Meihui , Huang Yanyan , Cheng Xialan , Geng Xiangshun , Tang Qiong , You Yu , Yu Yongqiang , Zhou Ru , Xu Jun 
Published: October 2017

AbstractFew‐layered MoSe2 nanosheets have great promise as a low‐cost alternative to noble Pt‐based electrocatalysts for electrochemical hydrogen evolution reaction (HER). In this work, arrays of ZnSe/MoSe2 nanotubes on fluorine‐doped tin oxide (FTO) glass substrates are synthesized and employed as an efficient binder‐free HER electrocatalyst for the first time. The hybrid ZnSe/MoSe2 nanotubes have thicknesses of 3–20 nm. The growth of ZnSe layer is attributed to ion exchange with ZnO nanorods while the formation of MoSe2 layer is resulted from chemical bath deposition. Compared with the bare MoSe2 electrocatalyst, the hybrid ZnSe/MoSe2 nanotube electrocatalyst exhibits striking kinetic metrics with a small Tafel slope (73 mV per decade) and a low onset potential (68 mV). Beside benefits from the nanoarray structure as binder‐free electrode as well as interlayer expansion of layered MoSe2, electron transfer from n‐type ZnSe to MoSe2 induced by alignment of energy levels at heterointerface contributes to fast electron transport and active electrocatalytic behavior of MoSe2 at the electrocatalyst–electrolyte interface, which is responsible for the significant improvement in HER performance. This work opens up a new door for developing high‐performance HER electrocatalysts by designing semiconductor heterojunction.
Development and Demonstration of Air Stable rGO‐EC@AB5 Type Hydrogenated Intermetallic Hybrid for Hydrogen Fuelled Devices
Authors: Bhatnagar Ashish , Gupta Bipin Kumar , Tripathi Prashant , Veziroglu Ayfer , Hudson Michael Sterlin Leo , Shaz Mohammad Abu , Srivastava Onkar Nath 
Published: October 2017

AbstractHydrogen is a promising alternative energy vector, but its use at an appropriate site requires storage, which is a crucial aspect. Hydrogen storage (HS) in the form of metal hydrides represents an attractive possibility, and is being investigated worldwide. La(Ni0.95Fe0.05)5 (LNF) has achieved significant attention as a HS media due to its suitable thermodynamics. However, its use as an effective storage material is hindered due to burning of hydrogenated LNF (LNFH) on exposure to air. The pristine LNFH catches fire rapidly on exposure to atmosphere. Here, a breakthrough strategy is demonstrated for design of hydrogenated air‐stabilized hybrid material by encapsulating LNF inside reduced graphene oxide‐ethyl cellulose. This novel hybrid material does not ignite upon exposure to air. This proposed hybrid material could be the ultimate choice for air‐stable and safe storage for fuel cell/internal combustion engine‐based vehicles. Further, the effectiveness of this hydrogen storage material is demonstrated for fuel cells.
Enhanced Efficiency of Perovskite Solar Cells by using Core–Ultrathin Shell Structure Ag@SiO2 Nanowires as Plasmonic Antennas
Authors: Wang Yang , Zhou Xue , Liang Chao , Li Pengwei , Hu Xiaotian , Cai Qingbin , Zhang Yiqiang , Li Fengyu , Li Mingzhu , Song Yanlin 
Published: October 2017

AbstractThe structural advantages and localized surface plasmon resonance (LSPR) effect of Ag@SiO2 nanowires when used as plasmonic antennas possess the features of fast electron transmission by 1D metal nanomaterials, high light harvesting, and electron–hole separation through the LSPR effect. By optimizing the concentration of Ag@SiO2 nanowires (0.06 wt%) in the active layer of a device, high power conversion efficiency of 18.03% and a negligible photocurrent hysteresis are obtained.
High‐Efficiency Low‐Temperature ZnO Based Perovskite Solar Cells Based on Highly Polar, Nonwetting Self‐Assembled Molecular Layers
Authors: Azmi Randi , Hadmojo Wisnu Tantyo , Sinaga Septy , Lee Chang‐Lyoul , Yoon Sung Cheol , Jung In Hwan , Jang Sung‐Yeon 
Published: October 2017

AbstractHerein, this study reports high‐efficiency, low‐temperature ZnO based planar perovskite solar cells (PSCs) with state‐of‐the‐art performance. They are achieved via a strategy that combines dual‐functional self‐assembled monolayer (SAM) modification of ZnO electron accepting layers (EALs) with sequential deposition of perovskite active layers. The SAMs, constructed from newly synthesized molecules with high dipole moments, act both as excellent surface wetting control layers and as electric dipole layers for ZnO‐EALs. The insertion of SAMs improves the quality of PbI2 layers and final perovskite layers during sequential deposition, while charge extraction is enhanced via electric dipole effects. Leveraged by SAM modification, our low‐temperature ZnO based PSCs achieve an unprecedentedly high power conversion efficiency of 18.82% with a VOC of 1.13 V, a JSC of 21.72 mA cm−2, and a FF of 0.76. The strategy used in this study can be further developed to produce additional performance enhancements or fabrication temperature reductions.
p‐Type CuI Islands on TiO2 Electron Transport Layer for a Highly Efficient Planar‐Perovskite Solar Cell with Negligible Hysteresis
Authors: Byranvand Mahdi Malekshahi , Kim Taewan , Song Seulki , Kang Gyeongho , Ryu Seung Un , Park Taiho 
Published: October 2017

AbstractCompact TiO2 is widely used as an electron transport material in planar‐perovskite solar cells. However, TiO2‐based planar‐perovskite solar cells exhibit low efficiencies due to intrinsic problems such as the unsuitable conduction band energy and low electron extraction ability of TiO2. Herein, the planar TiO2 electron transport layer (ETL) of perovskite solar cells is modified with ionic salt CuI via a simple one‐step spin‐coating process. The p‐type nature of the CuI islands on the TiO2 surface leads to modification of the TiO2 band alignment, resulting in barrier‐free contacts and increased open‐circuit voltage. It is found that the polarity of the CuI‐modified TiO2 surface can pull electrons to the interface between the perovskite and the TiO2, which improves electron extraction and reduces nonradiative recombination. The CuI solution concentration is varied to control the electron extraction of the modified TiO2 ETL, and the optimized device shows a high efficiency of 19.0%. In addition, the optimized device shows negligible hysteresis, which is believed to be due to the removal of trap sites and effective electron extraction by CuI‐modified TiO2. These results demonstrate the hitherto unknown effect of p‐type ionic salts on electron transport material.
Inside‐Out: Representational Ethics and Diverse Communities
Authors: Haarlammert Miryam , Birman Dina , Oberoi Ashmeet , Moore Wendy Jordana 
Published: October 2017

AbstractThe purpose of this paper is to write about insights and special considerations for researchers who are, to some degree, “insiders” to the communities they study by expanding on the concept of representational ethics as applied to research in community psychology with diverse and marginalized groups. Representational ethics refers to the ways that researchers, artists, or corporations represent the identities of the people they portray in their communications. As community psychologists we generate and disseminate knowledge about the communities we work with, and in that process, create narratives about the people who participate in our studies. In preparing a report on psychological issues among Evangelical Christian refugees from the former Soviet Union, Dina Birman struggled with her portrayal of this group and her own status of being both an insider and an outsider to this community. When investigating academic aspirations and psychological distress among Muslim high school students, Ashmeet Oberoi was forced to acknowledge the one‐sidedness of the discourse on autonomy and cultural socialization of Muslim adolescents. In her research with Cuban‐educated doctors in Miami, Florida, Wendy Moore encountered similar issues as she considered how to represent gender dynamics among her participants.
Holographical Aspects of Dyonic Black Holes: Massive Gravity Generalization
Authors: Hendi S. H. , Riazi N. , Panahiyan S. 
Published: October 2017

AbstractThe content of this paper includes studying holographical and thermodynamical aspects of dyonic black holes in the presence of massive gravity. For the first part of paper, thermodynamical properties of the bulk which includes black holes are studied and the main focus is on critical behavior. It will be shown that the existence of massive gravitons introduces remnant for temperature after evaporation of black holes, van der Waals phase transition for non‐spherical black holes and etc. The consistency of different thermodynamical approaches toward critical behavior of the black holes is presented and the physical properties near the region of thermal instability are given. Next part of the paper studies holographical aspects of the boundary theory. Magnetization and susceptibility of the boundary are extracted and the conditions for having diamagnetic and paramagnetic behaviors are investigated. It will be shown that generalization to massive gravity results into the existence of diamagnetic/paramagnetic phases in phase structure of the hyperbolic and horizon flat of boundary conformal field theory.
Anisotrope Hydrogele – Synthese und Anwendungen
Authors: Sano Koki , Ishida Yasuhiro , Aida Takuzo 
Published: October 2017

AbstractHydrogele gelten wegen ihrer wasserreichen Strukturen, die denjenigen von biologischen Geweben ähneln, seit langem als vielversprechende Trägermaterialien für künstliche Gewebe und Organe. Allerdings unterscheiden sich die meisten synthetischen Hydrogele hinsichtlich der strukturellen Anisotropie erheblich von biologischen Systemen. Synthetische Hydrogele sind üblicherweise aus zufällig ausgerichteten, dreidimensionalen Polymernetzwerken zusammengesetzt. Demgegenüber nehmen biologische Systeme anisotrope Strukturen mit hierarchisch strukturierten Baueinheiten an. Solche anisotropen Strukturen spielen bei biologischen Systemen oft eine entscheidende Rolle für die Ausübung bestimmter Funktionen. In diesem Zusammenhang eröffnen anisotrope Hydrogele einen Zugang zur Erforschung biomimetischer Hydrogelanwendungen. In letzter Zeit haben Untersuchungen anisotroper Hydrogele zugenommen. Dieser Kurzaufsatz beleuchtet die Anwendung und die Perspektiven dieser anisotropen Hydrogele unter besonderer Berücksichtigung ihrer Herstellung und Strukturen.
A Decatwistacene with an Overall 170° Torsion
Authors: Fan Wei , Winands Thorsten , Doltsinis Nikos L. , Li Yan , Wang Zhaohui 
Published: October 2017

AbstractTwo different lengths of twistacenes, namely hexatwistacene and decatwistacene, induced by steric hindrance between imide groups and neighboring annulated benzene rings, were synthesized by bottom‐up synthesis of palladium‐catalyzed Suzuki cross‐coupling and C−H activation. Single‐crystal X‐ray analyses revealed that decatwistacene, which is the longest twistacene reported, exhibits an astonishing overall end‐to‐end torsion angle of about 170°, the largest torsion angle reported. Both twistacenes have an enhanced solubility and stability with respect to light and oxygen owing to their large twisting deformations together with much lower LUMO levels caused by the introduction of imide groups, opening a window to the narrowest chiral graphene nanoribbons with good stability and processability.
Effects of medium phases on the thermal degradation of hydrogenated nitrile rubber O‐rings under compression
Authors: Lou Weitao , Zhang Weifang , Liu Xuerong , Lou Taishan , Xu Dan 
Published: October 2017

ABSTRACTThe degradation of hydrogenated nitrile rubber O‐rings under exposure to either air or hydraulic oil under compression were investigated at elevated temperatures. The physical and chemical changes of the samples aged for various durations were studied by measuring the weight, compression set, tensile strength, elongation at break, crosslinking density, fracture morphology, and attenuated total reflection–Fourier transform infrared (ATR–FTIR) spectroscopy. The results indicate that the weight decreased with exposure time and temperature and that weight loss was greater in oil. Crosslinking and chain scission both occurred during the aging process. The significant changes in the mechanical properties indicate that more severe degradation occurs in air. The fracture morphologies results show that the fracture surfaces aged in oil become rougher and have more defects. The ATR–FTIR results demonstrate that the hydroxyl groups were formed in air and oil, while carboxyl groups were only generated in air. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45864.
Knitting N‐doped Hierarchical Porous Polymers to Stabilize Ultra‐small Pd Nanoparticles for Solvent‐Free Catalysis
Authors: Sun Yan , Wang Tao , Li Ang , Zhang Ling , Huo Qisheng , Qiao Zhen‐An 
Published: October 2017

AbstractHierarchical porous polymers with more than one pore size distributions can effectively support noble metal catalysts and circumvent the limitation of the diffusion of the reactants, and thus exhibit both excellent catalytic activity and superior diffusive properties. Herein, we report a simple one‐step Friedel–Crafts reaction to knit a series of benzene heterocycle monomers, such as indane, indoline, indole and tetrahydronaphthalene to obtain hierarchical porous polymers with high surface areas and/or abundant N sites. These polymers can be directly used to immobilize Pd ions, and stabilize Pd nanoparticles during the thermal reduction process to obtain Pd/polymer catalysts. In particular, indoline‐ and indole‐based polymers with high N content up to 7 wt % exhibit outstanding ability to stabilize uniform ultrasmall Pd nanoparticles. The obtained Pd‐polymers exhibit excellent catalytic activity in the solvent‐free oxidation of benzyl alcohol with O2.
Neurexin gene family variants as risk factors for autism spectrum disorder
Authors: Wang Jia , Gong Jianhua , Li Li , Chen Yanlin , Liu Lingfei , Gu HuaiTing , Luo Xiu , Hou Fang , Zhang Jiajia , Song Ranran 
Published: October 2017

Increasing evidence suggests that abnormal synaptic function leads to neuronal developmental disorders and is an important component of the etiology of autism spectrum disorder (ASD). Neurexins are presynaptic cell‐adhesion molecules that affect the function of synapses and mediate the conduction of nerve signals. Thus, neurexins are attractive candidate genes for autism. Since gene families have greater power to reveal genetic association than single genes, we designed this case‐control study to investigate six genetic variants in three neurexin genes (NRXN1, NRXN2, and NRXN3) in a Chinese population including 529 ASD patients and 1,923 healthy controls. We found that two SNPs were significantly associated with ASD after false discovery rate (FDR) adjustment for multiple comparisons. The NRXN2 rs12273892 polymorphism T allele and AT genotype were significantly associated with increased risk of ASD (respectively: OR = 1.328, 95% CI = 1.133–1.557, P < 0.001; OR = 1.528; 95% CI = 1.249–1.868, P < 0.001). The dominant model showed the same association (OR = 1.495, 95% CI = 1.231–1.816, P < 0.001). The NRXN3 rs12879016 polymorphism played a significant role in ASD susceptibility under the dominant model (OR = 0.747, 95% CI= 0.615–0.908, P = 0.023), with the same trend detected for the G allele and GT genotype (respectively: OR = 0.811, 95% CI = 0.699–0.941, P = 0.036; OR = 0.755, 95% CI = 0.615–0.928, P = 0.035). In conclusion, this study supports the importance of two genetic variants in the neurexin gene family in ASD susceptibility in China. Autism Res 2018, 11: 37–43. © 2017 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryAutism spectrum disorder (ASD) is a neurodevelopmental disorder that is highly heritable, and studies have found a number of candidate genes that might contribute to ASD. Neurexins are presynaptic cell‐adhesion molecules that affect the function of synapses and mediate the conduction of nerve signals, and they play an important role in normal brain development and become candidate genes for autism. The purpose of our study is to explore the association between variants of the neurexins gene family and ASD in a Chinese population through a case‐control study.
Comparison of plasma pharmacokinetics of Tanreqing solution between intratracheal aerosolization and intravenous injection in rats
Authors: Li Cui , Liu Siyu , Luo Gan , Wang Guohua , Zhang Baoxian , Nie Qixia 
Published: October 2017

AbstractA rapid ultra high performance liquid chromatography tandem mass spectrometry method was developed for the simultaneous analysis of baicalin, oroxylin A‐7‐O‐β‐d‐glucoronide and chlorogenic acid in rats plasma, and applied to comparison of pharmacokinetics of Tanreqing solution between intratracheal aerosolization and intravenous injection. Results of the analytical method validation assay showed high sensitivity, accuracy and suitable recovery. Results of pharmacokinetics showed similar decline phases for baicalin, oroxylin A‐7‐O‐β‐d‐glucoronide and chlorogenic acid in two different delivery routes. The half‐lives of intratracheal aerosolization and intravenous injection were 0.90 and 1.22 h for baicalin, 0.47 and 0.17 h for oroxylin A‐7‐O‐β‐d‐glucoronide and 0.22 and 0.13 h for chlorogenic acid, and this implies that compounds were retained in the lung for a relatively short time. This study was the first to provide important pharmacokinetics information for traditional Chinese medicine delivery to the lung.
Chemical interaction between Lilium brownii and Rhizoma Anemarrhenae, the herbal constituents of Baihe Zhimu decoction, by liquid chromatography coupled to hybrid triple quadrupole linear ion trap mass spectrometer
Authors: Yang Bo , Liu Zhirui , Wang Qian , Xia Peiyuan 
Published: October 2017

AbstractDuring the course of decoction, the components of herbal formula interact with each other, such that chemical extraction characteristics are altered. The crude drugs, Lilium brownii (Baihe) and Rhizoma Anemarrhenae (Zhimu), are the herbal constituents of Baihe Zhimu decoction, a traditional herbal formula. To investigate the chemical interaction between Baihe and Zhimu when decocting together, eight marker components in Baihe Zhimu decoction were simultaneously characterized and quantified in one run by a hybrid triple quadrupole linear ion trap mass spectrometer in the multiple reactions monitoring–information dependent acquisition–enhanced product ion mode. The results showed that Zhimu significantly suppressed the extraction of phenolic glycosides (the components from Baihe) when co‐decocting, and Baihe clearly suppressed the extraction of xanthones and steroidal saponins (the components from Zhimu). Overall, the presently developed method would be a preferred candidate for the investigation of the chemical interaction between herbal medicines.
From food waste to value‐added surplus products (VASP): Consumer acceptance of a novel food product category
Authors: Bhatt Siddharth , Lee Jeonggyu , Deutsch Jonathan , Ayaz Hasan , Fulton Benjamin , Suri Rajneesh 
Published: October 2017

AbstractOver one third of the food we produce is never consumed. Such a high rate of food waste is appalling. To address this, researchers have focused on creating foods from surplus ingredients or ingredients obtained during the manufacturing of other foods. We term such foods as value‐added surplus products. But will consumers accept products made from ingredients destined for the trash bin? A series of studies that test 3 different cues that consumers utilize to evaluate foods suggests strong potential for consumer acceptance, and even preference for such foods. Study 1 tested description for value‐added surplus products alongside those for conventional and organic foods to understand whether consumers discriminate between these foods. Study 2 tested consumer preference for 9 product labels for value‐added surplus products. Study 3 examined whether benefits to self or to others will differentially influence consumers' perceptions of such value‐added foods. Collectively, these studies suggest a strong potential for such foods to command position as a new category of foods that is distinct from both conventional as well as organic foods.
Hydrogen‐Borrowing Alcohol Bioamination with Coimmobilized Dehydrogenases
Authors: Böhmer Wesley , Knaus Tanja , Mutti Francesco G. 
Published: October 2017

AbstractThe amination of alcohols is an important transformation in chemistry. The redox‐neutral (i.e., hydrogen‐borrowing) asymmetric amination of alcohols is enabled by the combination of an alcohol dehydrogenase (ADH) with an amine dehydrogenase (AmDH). In this work, we enhanced the efficiency of hydrogen‐borrowing biocatalytic amination by co‐immobilizing both dehydrogenases on controlled porosity glass FeIII ion‐affinity beads. The recyclability of the dual‐enzyme system was demonstrated (5 cycles) with total turnover numbers of >4000 and >1000 for ADH and AmDH, respectively. A set of (S)‐configured alcohol substrates was aminated with up to 95 % conversion and >99 % ee (R). Preparative‐scale amination of (S)‐phenylpropan‐2‐ol resulted in 90 % conversion and 80 % yield of the product in 24 h.