bluuebunny/crossref_metadata_2025 huggingface dataset:
Simple growth of BCNO@C core shell fibres and luminescent BCNO tubes
Authors: Lin Liangxu , Ma Le , Zhang Shaowei , Huang Juntong , Allwood Dan A.
Published: January 2015

Homogenous BCNO shell has been grown on C fibres, giving feasible way to achieve BCNO materials with tunable electronic structures.
Using solvent effects to guide the design of a CL-20 cocrystal
Authors: Urbelis Jessica H. , Young Victor G. , Swift Jennifer A.
Published: January 2015

The crystal structure and thermal properties of a 1 : 2 cocrystal of the energetic material CL-20 and triphenylphosphine oxide is reported.
Sulfone-based electrolytes for aluminium rechargeable batteries
Authors: Nakayama Yuri , Senda Yui , Kawasaki Hideki , Koshitani Naoki , Hosoi Shizuka , Kudo Yoshihiro , Morioka Hiroyuki , Nagamine Masayuki
Published: January 2015

Non-corrosive aluminum rechargeable electrolytes working at ambient temperature have been developed, which are composed of AlCl3, sulfone, and dilutant.
Highly chromium contaminant tolerant BaO infiltrated La0.6Sr0.4Co0.2Fe0.8O3−δ cathodes for solid oxide fuel cells
Authors: Chen Kongfa , Ai Na , O'Donnell Kane M. , Jiang San Ping
Published: January 2015

BaO infiltration significantly enhances the tolerance and resistance towards chromium poisoning of La0.6Sr0.4Co0.2Fe0.8O3−δ cathodes of solid oxide fuel cells.
Long-range ion–water and ion–ion interactions in aqueous solutions
Authors: Chen Chen , Huang Congcong , Waluyo Iradwikanari , Weiss Thomas , Pettersson Lars G. M. , Nilsson Anders
Published: January 2015

Using small-angle X-ray scattering (SAXS), we obtained direct experimental evidence on the structure of hydrated polyatomic anions, with hydration effects starkly different from those of cations (J. Chem. Phys., 2011, 134, 064513).
Surface enhanced Raman scattering of a single molecular junction
Authors: Matsushita Ryuji , Kiguchi Manabu
Published: January 2015

Surface enhanced Raman scattering of a single molecular junction together with the conductance measurements.
Physical state and acidity of inorganic sulfate can regulate the production of secondary organic material from isoprene photooxidation products
Authors: Kuwata Mikinori , Liu Yingjun , McKinney Karena , Martin Scot T.
Published: January 2015

The production of secondary organic material (SOM) by the reactive uptake of isoprene photooxidation products was investigated using partially to wholly neutralized sulfuric acid particles.
Insights into the effects of mutations on Cren7–DNA binding using molecular dynamics simulations and free energy calculations
Authors: Chen Lin , Zheng Qing-Chuan , Zhang Hong-Xing
Published: January 2015

Cren7 is involved in regulating essential cellular processes. We applied MD simulations and free energy calculation to explore the structural and dynamic effects of W26A, L28A, and K53A mutations.
Insights into hydrogen bond donor promoted fixation of carbon dioxide with epoxides catalyzed by ionic liquids
Authors: Liu Mengshuai , Gao Kunqi , Liang Lin , Wang Fangxiao , Shi Lei , Sheng Li , Sun Jianmin
Published: January 2015

Experimental and DFT studies demonstrated that additional EG could cooperate with ILs to facilitate the cycloaddition reactionviahydrogen bond activation.
On the crossroads of current polyelectrolyte theory and counterion-specific effects
Authors: Malikova Natalie , Rollet Anne-Laure , Čebašek Sašo , Tomšič Matija , Vlachy Vojko
Published: January 2015

Aqueous solutions of ionene polyelectrolytes highlight the need for combining the scaling concepts of polyelectrolyte solutions with those of ion specificity, to encompass the wealth of phenomena taking place in these systems.
Activation of a MnO2 cathode by water-stimulated Mg2+ insertion for a magnesium ion battery
Authors: Song Jaehee , Noked Malakhi , Gillette Eleanor , Duay Jonathon , Rubloff Gary , Lee Sang Bok
Published: January 2015

We demonstrate that MnO2 nanowire electrode is “activated” for efficient Mg2+ insertion/deinsertion by introducing water molecules in to the electrolyte.
On the dissolution of lithium sulfate in water: anion photoelectron spectroscopy and density functional theory calculations
Authors: Feng Gang , Hou Gao-Lei , Xu Hong-Guang , Zeng Zhen , Zheng Wei-Jun
Published: January 2015

Microscopic insight into the dissolution of Li2SO4in water was gained using photoelectron spectroscopy combined with DFT calculations.
The critical role of intragap states in the energy transfer from gold nanoparticles to TiO2
Authors: Naldoni Alberto , Fabbri Filippo , Altomare Marco , Marelli Marcello , Psaro Rinaldo , Selli Elena , Salviati Giancarlo , Dal Santo Vladimiro
Published: January 2015

Cathodoluminescence spectroscopy allows the elucidation of energy transfer mechanisms between gold nanoparticles and semiconductors occurring during hydrogen production by photo-steam reforming.
Site-dependence of van der Waals interaction explains exciton spectra of double-walled tubular J-aggregates
Authors: Megow Jörg , Röhr Merle I. S. , Schmidt am Busch Marcel , Renger Thomas , Mitrić Roland , Kirstein Stefan , Rabe Jürgen P. , May Volkhard
Published: January 2015

Van der Waals interaction causes energy splitting in the optical spectrum of a double-walled tubular J-aggregate.
Benzene partial hydrogenation: advances and perspectives
Authors: Foppa Lucas , Dupont Jairton
Published: January 2015

This review highlights key aspects of benzene partial hydrogenation reaction as well as main contributions to the development of a sustainable catalytic system over the last decades.
Black titanium dioxide (TiO2) nanomaterials
Authors: Chen Xiaobo , Liu Lei , Huang Fuqiang
Published: January 2015

Recent progress in the preparation, properties and applications of black TiO2nanomaterials is reviewed.
Luminescent cation sensors: from host–guest chemistry, supramolecular chemistry to reaction-based mechanisms
Authors: Yeung Margaret Ching-Lam , Yam Vivian Wing-Wah
Published: January 2015

This highlight provides a brief overview on luminescent cation detection strategies derived from a wide variety of organic and organometallic architectures, including those based on the ion-receptor complementarity, integrated with the extension of the concept of supramolecular chemistry and those using the irreversible analyte-specific reactions.
Process for the synthesis of symmetric and unsymmetric oxygen bridged dimers of boron subphthalocyanines (μ-oxo-(BsubPc)2s)
Authors: Dang Jeremy D. , Fulford Mabel V. , Kamino Brett A. , Paton Andrew S. , Bender Timothy P.
Published: January 2015

Unsymmetric oxygen bridged dimers of boron subphthalocyanines have been prepared for the first time.
Influence of microwave power on the preparation of NiO nanoflakes for enhanced magnetic and supercapacitor applications
Authors: Anandha Babu G. , Ravi G. , Mahalingam T. , Kumaresavanji M. , Hayakawa Y.
Published: January 2015

Nanoflake-structured NiO were synthesized by a microwave assisted method without the use of additives.
Synthesis of alloy AuCu nanoparticles with the L10 structure in an ionic liquid using sputter deposition
Authors: Suzuki Shushi , Tomita Yousuke , Kuwabata Susumu , Torimoto Tsukasa
Published: January 2015

Synthesis of alloy AuCu nanoparticles with the L10 structure in an ionic liquid using sputter deposition.
A blue luminescent MOF as a rapid turn-off/turn-on detector for H2O, O2and CH2Cl2, MeCN: 3∞[Ce(Im)3ImH]·ImH
Authors: Meyer L. V. , Schönfeld F. , Zurawski A. , Mai M. , Feldmann C. , Müller-Buschbaum K.
Published: January 2015

A blue emitting MOF is presented as a fast turn-off/turn-on detector for various analytes utilising 5d–4f-transitions of Ce3+.
Beyond biocompatibility: an approach for the synthesis of ZnS quantum dot-chitosan nano-immunoconjugates for cancer diagnosis
Authors: Mansur Herman S. , Mansur Alexandra A. P. , Soriano-Araújo Amanda , Lobato Zélia I. P.
Published: January 2015

Nanomedicine meets green chemistry: Biocompatible ZnS-immunoconjugates were developed to detectin vitroNHL cancer cells using an environmentally-friendly aqueous process.
Position along the nasal/temporal plane affects synaptic development by adult photoreceptors, revealed by micropatterning
Authors: Kung Frank , Wang Jianfeng , Perez-Castillejos Raquel , Townes-Anderson Ellen
Published: January 2015

Micropatterning reduces variability and demonstrates that regenerating rod cells preferentially contact other retinal cells based on their region of origin.
A comparative study of Hispano-Moorish and Italian Renaissance lustred majolicas by using X-ray absorption spectroscopy
Authors: Guglieri Rodriguez C. , Fermo P. , Olivi L. , Padeletti G.
Published: January 2015

Lustre is characterized by a few hundreds of nanometers thick heterogeneous metal-glassy nano-composite film.
Capacitive deionization on-chip as a method for microfluidic sample preparation
Authors: Roelofs Susan H. , Kim Bumjoo , Eijkel Jan C. T. , Han Jongyoon , van den Berg Albert , Odijk Mathieu
Published: January 2015

We demonstrate capacitive deionization in a microfluidic chip and monitor the salt concentration between the desalination electrodes in real-time.
Polyhedral Fe3O4 nanoparticles for lithium ion storage
Authors: Liang Chaolun , Huang Senchuan , Zhao Wenxia , Liu Wenyue , Chen Jian , Liu Hong , Tong Yexiang
Published: January 2015

Fe3O4 nanoparticles composed of 14-facet and 26-facet polyhedrons exhibited a high initial discharge capacity of 1067 mA h g−1.
Evaluation of the nitroaldol reaction in the presence of metal ion-crosslinked alginates
Authors: Kühbeck Dennis , Mayr Judith , Häring Marleen , Hofmann Martin , Quignard Françoise , Díaz Díaz David
Published: January 2015

Calcium alginate hydrogel beads have been found to promote the Henry reaction under mild conditions.
Facile synthesis of single crystalline n-/p-type ZnO nanorods by lithium substitution and their photoluminescence, electrochemical and photocatalytic properties
Authors: Thakur Indrani , Chatterjee Sriparna , Swain Smrutirekha , Ghosh Arnab , Behera Swaroop K. , Chaudhary Yatendra S.
Published: January 2015

Photocatalytic efficiency of unsubstituted ZnO is greater than Li substituted ZnO nanorods due to the presence of defect states and higher charge carrier density.
Tuning temperature responsive poly(2-alkyl-2-oxazoline)s by supramolecular host–guest interactions
Authors: de la Rosa Victor R. , Nau Werner M. , Hoogenboom Richard
Published: January 2015

A poly[(2-ethyl-2-oxazoline)-ran-(2-nonyl-2-oxazoline)] random copolymer was synthesized and its thermoresponsive behavior in aqueous solution modulated by the addition of different supramolecular host molecules.
Synthesis of drug-crosslinked polymer nanoparticles
Authors: Xie Chen , Yang Chenchen , Zhang Peng , Zhang Jialiang , Wu Wei , Jiang Xiqun
Published: January 2015

A new kind of drug-crosslinked polymer nanoparticle was synthesized. The nanoparticles were composed by a phenylboronic acid modified 10-hydroxycamptothecin (the crosslinker) and 1,2-diol-rich PEG-PGMA diblock copolymer (the backbone), and crosslinked by phenylboronic ester bond.
Electrochemical sensing application of poly(acrylic acid modified EDOT-co-EDOT):PSS and its inorganic nanocomposite with high soaking stability, adhesion ability and flexibility
Authors: Wang Zifei , Wang Zhipeng , Zhang Hui , Duan Xuemin , Xu Jingkun , Wen Yangping
Published: January 2015

A novel and simple strategy to prevent swelling, disintegration, cracking and peeling-off of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) film in water was developed.
Intermolecular proton transfer in cyclic carbonate synthesis from epoxide and carbon dioxide catalyzed by azaphosphatranes: a DFT mechanistic study
Authors: Zhang Zhiqiang , Xu Liancai , Feng Wenkai
Published: January 2015

The activity of azaphosphatranes, novel types of non-metal and solvent-free catalysts for the synthesis of cyclic carbonates from epoxides and CO2, is unraveled by DFT calculations.
Hydrogel adsorbents of poly(N-isopropylacrylamide-co-methacryloyloxymethyl-12-crown-4) for Li+ recovery prepared by droplet microfluidics
Authors: Kim Yong Seok , Lee Hyang Moo , Kim Jung Hyun , Joo Jin , Cheong In Woo
Published: January 2015

This article describes the synthesis and application of hydrogel adsorbents for lithium ion (Li+) recovery from seawater.
Rapid scavenging of methylene blue dye from a liquid phase by adsorption on alumina nanoparticles
Authors: Banerjee Sushmita , Gautam Ravindra Kumar , Jaiswal Amita , Chandra Chattopadhyaya Mahesh , Chandra Sharma Yogesh
Published: January 2015

The adsorption behavior of methylene blue on as-synthesized alumina nanoparticles has been investigated.
Composition-structure–physical property relationship and nonlinear optical properties of multiferroic hexagonal ErMn1−xCrxO3 nanoparticles
Authors: Raneesh B. , Nandakumar K. , Saha A. , Das D. , Soumya H. , Philip J. , Sreekanth P. , Philip R.
Published: January 2015

Nanocrystalline multiferroic ErMn1−xCrxO3 exhibits canted antiferromagnetism with a spin-glass transition and strong nonlinear optical absorption.
Functionalization of biodegradable hyperbranched poly(α,β-malic acid) as a nanocarrier platform for anticancer drug delivery
Authors: Su Ting , Peng Xinyu , Cao Jun , Chang Jing , Liu Rong , Gu Zhongwei , He Bin
Published: January 2015

A facile strategy for fabricating hyperbranched poly(α,β-malic acid) nanoparticles with multiple functions was developed for anticancer drug delivery.
Development of negatively charged particulate surfaces through a dry plasma-assisted approach
Authors: Akhavan Behnam , Jarvis Karyn , Majewski Peter
Published: January 2015

A completely dry method has been introduced for the development of negatively charged oxidized sulfur-terminated particles.
The effects of solvent composition on the affinity of a peptide towards hair keratin: experimental and molecular dynamics data
Authors: Antunes Egipto , Cruz Célia F. , Azoia Nuno G. , Cavaco-Paulo Artur
Published: January 2015

Molecular dynamics simulations with a developed hair protofibril model demonstrated the ability to improve peptide uptake by hair shafts.
Ionic liquids and γ-butyrolactone mixtures as electrolytes for supercapacitors operating over extended temperature ranges
Authors: Dagousset Laure , Nguyen Giao T. M. , Vidal Frédéric , Galindo Christophe , Aubert Pierre-Henri
Published: January 2015

Ionic liquid/solvent as high conductive electrolyte (2 mS cm−1at −50 °C) with suppression of phase transition and large electrochemical window (8 V).
Influence of acid type and concentration on the synthesis of nanostructured titanium dioxide photocatalysts from titanium-bearing electric arc furnace molten slag
Authors: Li Yang , Yang Yang , Guo Min , Zhang Mei
Published: January 2015

TiO2 photocatalysts with different crystal phases and morphologies were synthesized from Ti-bearing EAF slag.
Si doped highly crystalline mesoporous In2O3nanowires: synthesis, characterization and ultra-high response to NOxat room temperature
Authors: Yao Liyuan , Kan Kan , Lin Yufei , Song Jiabao , Wang Jingchao , Gao Jun , Shen Peikang , Li Li , Shi Keying
Published: January 2015

The synthesized INW-2 has an ultrathin surface layer and high density defects. The special structure offers available active centers for gas/surface reactions. INW-2 sensor possesses the ultrahigh response and selectivity to NOxat room temperature.
One-pot conversion of carbohydrates into gamma-valerolactone catalyzed by highly cross-linked ionic liquid polymer and Co/TiO2
Authors: Zhou Huacong , Song Jinliang , Kang Xinchen , Hu Jiayin , Yang Yingying , Fan Honglei , Meng Qinglei , Han Buxing
Published: January 2015

The PDVB-IL polymer and Co/TiO2 is efficient and facilely recyclable for one-pot conversion of FAL, HMF, and fructose into GVL.
Review on carbon-based composite materials for capacitive deionization
Authors: Liu Yong , Nie Chunyang , Liu Xinjuan , Xu Xingtao , Sun Zhuo , Pan Likun
Published: January 2015

Carbon-based composite electrode materials, including carbon–carbon, carbon–metal oxide, carbon–polymer and carbon–polymer–metal oxide for efficient capacitive deionization are summarized.
Dielectric properties of ultraviolet cured poly(dimethyl siloxane) sub-percolative composites containing percolative amounts of multi-walled carbon nanotubes
Authors: Goswami K. , Daugaard A. E. , Skov A. L.
Published: January 2015

Novel preparation scheme allows for heterogeneous distributions of conductive filler such that percolative amounts can be added without obtaining percolative properties.
Synthesis and characterization of Pt magnetic nanocatalysts with a TiO2 or CeO2 layer
Authors: Zhang Chao , Zhou Yuming , Zhang Yiwei , Wang Qianli , Xu Yuanmei
Published: January 2015

The Pt magnetic nanocatalysts with a TiO2 or CeO2 layer have been fabricated successfully.
A new chemosensor for Ga3+ detection by fluorescent nitrogen-doped graphitic carbon dots
Authors: Wang Hao , Wang Yun , Guo Jun , Su Ying , Sun Cheng , Zhao Jie , Luo Hongmei , Dai Xiao , Zou Guifu
Published: January 2015

Nitrogen-doped graphitic carbon dots as chemosensors show a sensitive response (209 nM) to Ga3+ in range of 0–20 μM.
Novel magnetic lignin composite sorbent for chromium(vi) adsorption
Authors: Song Zhanxin , Li Wei , Liu Wentao , Yang Yan , Wang Ningning , Wang Haijun , Gao Haiyan
Published: January 2015

A novel magnetic lignin composite removes Cr(vi).
Continuous polyacrylonitrile nanofiber yarns: preparation and dry-drawing treatment for carbon nanofiber production
Authors: Xie Zhigang , Niu Haitao , Lin Tong
Published: January 2015

Drawing of electrospun polyacrylonitrile nanofiber yarns in dry conditions can significantly improve tensile strength as well as fiber and yarn quality.
Nitrogen removal from municipal wastewater by a bioreactor containing ceramic honeycomb
Authors: Cao Wenping
Published: January 2015

Ceramic honeycombs were used as bio-carriers for removal of nitrogen from municipal wastewater by a bioreactor under aerobic conditions.
Development and application of a novel screening method and experimental use of the mutant bacterial strain Clostridium beijerinckii NCIMB 8052 for production of butanol via fermentation of fresh cassava
Authors: Su Haifeng , Zhao Yun , Wang Maolin , Xu Yuanjian
Published: January 2015

Classic chemical mutagenesis has a demonstrated potential to create a strain ofClostridiumwith improved fermentation performance for obtaining high butanol yield.
Coupled effects of applied load and surface structure on the viscous forces during peeling
Authors: Dhong Charles , Fréchette Joëlle
Published: January 2015

Surface structure only change the peeling force if the fluid film thickness is sufficiently small.
Optical, electronic, and photoelectrochemical properties of the p-type Cu3−xVO4 semiconductor
Authors: Sahoo Prangya P. , Zoellner Brandon , Maggard Paul A.
Published: January 2015

Formation of surface nanoparticles on p-type Cu3VO4 (shown) and their critical role in enhancing its photocurrents for solar energy conversion.
Temperature-induced modulation of mesopore size in hierarchically porous amorphous TiO2/ZrO2 beads for improved dye adsorption capacity
Authors: Kimling Maryline Chee , Chen Dehong , Caruso Rachel A.
Published: January 2015

Temperature-based processes combined with a sol–gel templating technique were used to prepare hierarchically porous amorphous TiO2/ZrO2 beads with tunable mesopore sizes for improved dye sorption capacities.
Aluminium-rich Beta zeolite-supported platinum nanoparticles for the low-temperature catalytic removal of toluene
Authors: Chen Chunyu , Wu Qinming , Chen Fang , Zhang Ling , Pan Shuxiang , Bian Chaoqun , Zheng Xiaoming , Meng Xiangju , Xiao Feng-Shou
Published: January 2015

Pt/KBeta-SDS shows extraordinary activity in the catalytic removal of 1000 ppm toluene. Such an active catalyst has not previously been reported.
Extraction of palladium from nuclear waste-like acidic solutions by a metal–organic framework with sulfur and alkene functions
Authors: Zha Meiqin , Liu Jie , Wong Yan-Lung , Xu Zhengtao
Published: January 2015

Hard-and-soft combo does the trick: hard and robust Zr(iv)-carboxylate nodes build up the net, while soft allyl and sulfur donors selectively extract Pd(ii)-from amongst other elements in nuclear wastes.
Low temperature preparation of TiO2 nanoparticle chains without hydrothermal treatment for highly efficient dye-sensitized solar cells
Authors: Cui Yan , Zhang Lu , Lv Kai , Zhou Gang , Wang Zhong-Sheng
Published: January 2015

Titania chains composed of 5 nm nanoparticles are prepared at low temperatures without hydrothermal treatment for efficient dye-sensitized solar cells.
MIL-101(Fe) as a lithium-ion battery electrode material: a relaxation and intercalation mechanism during lithium insertion
Authors: Shin JaeWook , Kim Min , Cirera Jordi , Chen Shawn , Halder Gregory J. , Yersak Thomas A. , Paesani Francesco , Cohen Seth M. , Meng Ying Shirley
Published: January 2015

The electrochemical performance and mechanism of a MIL-101(Fe) metal–organic framework (MOF) as a lithium ion battery electrode is reported for the first time.
Organic dyes containing dithieno[2,3-d:2′,3′-d′]thieno[3,2-b:3′,2′-b′]dipyrrole core for efficient dye-sensitized solar cells
Authors: Wang Zhihui , Liang Mao , Tan Yulin , Ouyang Liyan , Sun Zhe , Xue Song
Published: January 2015

We report two new triarylamine-cyanoacrylic acid based push–pull dyes, X76 and X77, featuring the π-conjugated linkers of dihexyl- and dihexyloxybenzene-substituted dithieno[2,3-d:2′,3′-d′]thieno[3,2-b:3′,2′-b′]dipyrrole (DTDP), respectively.
Origin of light manipulation in nano-honeycomb structured organic light-emitting diodes
Authors: Shi Xiao-Bo , Qian Min , Zhou Dong-Ying , Wang Zhao-Kui , Liao Liang-Sheng
Published: January 2015

The origin of light manipulation in nano-honeycomb structured organic light-emitting diodes is analyzed both experimentally and theoretically.
Wide tunable lasing in photoresponsive chiral liquid crystal emulsion
Authors: Zheng Zhi-gang , Liu Bo-wei , Zhou Lu , Wang Wei , Hu Wei , Shen Dong
Published: January 2015

Light tunable lasing in photoresponsive chiral liquid crystal emulsion.
Simultaneous modification of N-alkyl chains on cyclometalated and ancillary ligands of cationic iridium(iii) complexes towards efficient piezochromic luminescence properties
Authors: Han Yi , Cao Hong-Tao , Sun Hai-Zhu , Shan Guo-Gang , Wu Yong , Su Zhong-Min , Liao Yi
Published: January 2015

Cationic Ir(iii)-based piezochromic luminescent (PCL) materials exhibiting efficient PCL features as well as excellent reversibility can be achieved by simultaneously modifying both ligands using appropriateN-alkyl chains.
Task-specific ionic liquid and CO2-cocatalysed efficient hydration of propargylic alcohols to α-hydroxy ketones
Authors: Zhao Yanfei , Yang Zhenzhen , Yu Bo , Zhang Hongye , Xu Huanjun , Hao Leiduan , Han Buxing , Liu Zhimin
Published: January 2015

Task-specific ionic liquid and CO2-cocatalysed efficient hydration of propargylic alcohols to α-hydroxy ketones.
Correction: Intramolecular charge transfer (ICT) of a chiroptically active conjugated polymer showing green colour
Authors: Kawashima Hirotsugu , Kawabata Kohsuke , Goto Hiromasa
Published: January 2015

Correction for ‘Intramolecular charge transfer (ICT) of a chiroptically active conjugated polymer showing green colour’ by H. Kawashima et al., J. Mater. Chem. C, 2015, DOI: 10.1039/c4tc02124j.
Correction: Highly efficient cuprous complexes with thermally activated delayed fluorescence and simplified solution process OLEDs using the ligand as host
Authors: Chen Xu-Lin , Lin Chen-Sheng , Wu Xiao-Yuan , Yu Rongming , Teng Teng , Zhang Qi-Kai , Zhang Qing , Yang Wen-Bing , Lu Can-Zhong
Published: January 2015

Correction for ‘Highly efficient cuprous complexes with thermally activated delayed fluorescence and simplified solution process OLEDs using the ligand as host’ by X.-L. Chen et al., J. Mater. Chem. C, 2015, DOI: 10.1039/c4tc02255f.
Multi‐hop delay reduction for safety‐related message broadcasting in vehicle‐to‐vehicle communications
Authors: Li Xiaohuan , Hu Bin‐jie , Chen Hongbin , Li Bing , Teng Huanglong , Cui Manman
Published: January 2015

In vehicle‐to‐vehicle (V2V) communications, low delay and long propagation distance are very important for multi‐hop safety‐related message broadcasting. Most earlier studies focused on one‐hop broadcasting while little attention has been paid to multi‐hop delay and propagation distance. In this study, a new model for analysing the connectivity probability, average hop count and one‐hop delay of multi‐hop safety‐related message broadcasting in V2V communications is built, taking into account the following factors: propagation distance, one‐hop transmission range, distribution of vehicles, vehicle density, average length of vehicles and minimum safe distance between vehicles. Simulation results demonstrate that the proposed model can provide better performance in terms of multi‐hop delay and there exists an optimal one‐hop transmission range to minimise the multi‐hop delay. After that, A new scheme is proposed to track the optimal one‐hop transmission range by using a Genetic Algorithm. With this scheme, vehicles are allowed to adjust the one‐hop transmission range based on vehicle density to reduce the multi‐hop delay. The proposed scheme is validated by simulations using realistic vehicular traces.
User‐specific link adaptation scheme for device‐to‐device network coding multicast
Authors: Zhou Ting , Xu Bin , Xu Tianheng , Hu Honglin , Xiong Lei
Published: January 2015

User‐specific network controlled device‐to‐device (D2D) communication is a promising method to improve the system performance of the future cellular networks. It is a challenging task to realise the optimal link adaptation for D2D reliable multicast because of the nature of wireless radio channels. In this study, network coding is employed to enhance D2D multicast by introducing the characteristic that different information network‐coded into a single multicast packet is destined to different receivers. A user‐specific bit mapping algorithm is then proposed to make different information having a different equivalent coding rate before network‐coded. A corresponding user‐specific link adaptation scheme is proposed to adaptively choose an optimal modulation and coding scheme (MCS) for D2D multicast. Furthermore, the receiver detection procedure is then derived to recover the expected information for different users. As a result, different users obtain their respective information from a single network‐coded multicast packet with different equivalent MCS according to the respective channel quality from the transmitter to them. Numerical results show that the user‐specific link adaptation scheme can improve the capacity performance of network controlled D2D multicast. The throughput gain varies from 13 to 45% in different channel quality scenarios.
Joint energy‐efficient power allocation and subcarrier pairing in orthogonal frequency division multiple‐based multi‐relay networks
Authors: Zhikang Zhou , Qi Zhu
Published: January 2015

In this study, a resource allocation scheme for energy‐efficient communication in a cooperative orthogonal frequency division multiple (OFDM) network based on subcarrier pairing is proposed. Different from traditional cooperative OFDM networks, in the concerned network, one subcarrier pair can be forwarded by multiple relays, and the source is allowed to retransmit the signals sent in the first phase. The problem aimed at maximising the system energy efficiency (EE) under total power constraint and minimum spectral efficiency constraint is formulated into a mixed‐integer nonlinear programming (MINLP) problem, which in general has intractable complexity because of its combinatorial nature. The authors simplify the optimising model as a typical fractional programming problem to solve the complex the MINLP problem. The simplified fractional programming problem is proved to be quasi‐concave, thus Dinkelbach's method consisting of outer iterations and inner iterations can be used to find the optimal solution to the proposed MINLP problem.
Kinematics, dynamics and control design of 4WIS4WID mobile robots
Authors: Lee Ming‐Han , Li Tzuu‐Hseng S.
Published: January 2015

Kinematic and dynamic modelling and corresponding control design of a four‐wheel‐independent steering and four‐wheel‐independent driving (4WIS4WID) mobile robot are presented in this study. Different from the differential or car‐like mobile robot, the 4WIS4WID mobile robot is controlled by four steering and four driving motors, so the control scheme should possess the ability to integrate and manipulate the four independent wheels. A trajectory tracking control scheme is developed for the 4WIS4WID mobile robot, where both non‐linear kinematic control and dynamic sliding‐mode control are designed. All of the stabilities of the kinematic and dynamic control laws are proved by Lyapunov stability analysis. Finally, the feasibility and validity of the proposed trajectory tracking control scheme are confirmed through computer simulations.
Minimum jitter‐based adaptive decision feedback equaliser for giga‐bit‐per‐second serial links
Authors: Al‐Taee Alaa Rahman , Yuan Fei , Ye Andy
Published: January 2015

This study presents a minimum jitter‐based adaptive decision feedback equaliser (DFE) for giga‐bit‐per‐second (Gbps) serial links. The adaptation in search for the optimal tap coefficients of DFE is carried out with the objective to minimise data jitter at the edge of data eyes. Jitter minimisation is achieved by adjusting the slope of the DFE that counteracts that of the channel. The effectiveness of the proposed adaptive DFE is evaluated by embedding the DFE in a 2 Gbps serial link. The data link is analysed using Spectre from Cadence Design Systems with BSIM4 device models. Simulation results demonstrate that the proposed adaptive DFE is capable of opening closed data eyes with 83% vertical opening, 68% horizontal opening and 16% data jitter over 1 m FR4 channel while consuming 15.45 mW.
Performance analysis of energy detection over hyper‐Rayleigh fading channels
Authors: Chatziantoniou Eleftherios , Allen Ben , Velisavljevic Vladan
Published: January 2015

This study investigates the performance of energy detection (ED)‐based spectrum sensing over two‐wave with diffused power (TWDP) fading channels, which have been found to provide accurate characterisation for a variety of fading conditions. A closed‐form expression for the average detection probability of ED‐based spectrum sensing over TWDP fading channels is derived. This expression is then used to describe the behaviour of ED‐based spectrum sensing for a variety of channels that include Rayleigh, Rician and hyper‐Rayleigh fading models. Such fading scenarios present a reliable behavioural model of machine‐to‐machine wireless nodes operating in confined structures such as in‐vehicular environments.
Fibrinogen Level Deteriorates before Other Routine Coagulation Parameters and Massive Transfusion in the Early Phase of Severe Trauma: A Retrospective Observational Study
Authors: Hayakawa Mineji , Gando Satoshi , Ono Yuichi , Wada Takeshi , Yanagida Yuichiro , Sawamura Atsushi
Published: January 2015

In trauma, hemostatic functions should be maintained appropriately to prevent massive bleeding. This study elucidated the time-dependent changes in platelet count and coagulation variables, and the effects of disseminated intravascular coagulation (DIC) on these changes during the early phase of trauma. Trauma patients with an injury severity score ≥16 were enrolled. The critical levels of platelet count and coagulation variables were defined according to recent trauma guidelines. Massive transfusion was defined as >10 units red cell concentrate. The time from arrival at the emergency department to reaching the critical levels and meeting the criteria for massive transfusion were evaluated. Eighty trauma patients were enrolled; 35 were diagnosed with DIC on arrival. Among all patients, fibrinogen levels reached the critical level earliest among routine coagulation parameters; other routine coagulation parameters deteriorated after the patients met the criteria for massive transfusion. Routine coagulation parameters reached their critical levels earlier in DIC patients than patients without DIC. Massive transfusion was performed more frequently in DIC patients, who met the criteria earlier. During the early phase of trauma, fibrinogen levels deteriorate earlier than other routine coagulation parameters, especially in DIC patients.
Hemostatic and Thrombotic Issues in Cardiac Surgery
Authors: Ranucci Marco
Published: January 2015

Cardiac surgery with cardiopulmonary bypass determines a serious imbalance of the hemostatic system. The clinical pattern is multifactorial, involving patient-related, drug-related, and surgery-related factors. As a result, the patient is prone to both hemorrhagic and thrombotic complications. To address the clinical management of a bleeding patient after cardiac surgery, avoiding empirical administration of drugs and blood derivates, it is mandatory to correctly identify the factor(s) responsible for bleeding. Bleeding after cardiac operations can be ascribed to seven basic mechanisms: residual heparin effect; reduced thrombin generation; fibrinogen deficiency; thrombocytopenia; platelet dysfunction; hyperfibrinolysis; and surgical sources. These factors may interact together, creating a complex coagulopathy. Point-of-care coagulation tests are useful to orienteer the clinician in this complex scenario. Viscoelastic coagulation tests find their greater usefulness in the diagnosis of the bleeding mechanism(s), whereas platelet function tests appear more useful for the preoperative assessment of patients under the effects of antiplatelet agents. Thromboembolic complications are the other side of the coin, and their prevention is still a matter of debate. Consumption of natural anticoagulants and endothelial disturbance are important mechanisms underlying this condition. Strategies to limit antithrombin (AT) consumption or to correct low postoperative levels of AT are still a matter of discussion.
Hemostasis and Thrombosis in Major Liver Resection
Authors: Cross Andrea , Connor Saxon
Published: January 2015

The liver plays an important role in the balance between hemostasis and thrombosis. Hepatic resection, particularly when performed in the presence of underlying parenchymal liver disease, can cause perturbation of this balance. This review summarizes the changes that occur in normal hemostasis and thrombosis before, during, and after nontransplant hepatic resection and, wherever possible, provides strategies for the perioperative management of bleeding and thrombosis.
A finite-element visualization of quantum reactive scattering. II. Nonadiabaticity on coupled potential energy surfaces
Authors: Warehime Mick , Kłos Jacek , Alexander Millard H.
Published: January 2015

This is the second in a series of papers detailing a MATLAB based implementation of the finite element method applied to collinear triatomic reactions. Here, we extend our previous work to reactions on coupled potential energy surfaces. The divergence of the probability current density field associated with the two electronically adiabatic states allows us to visualize in a novel way where and how nonadiabaticity occurs. A two-dimensional investigation gives additional insight into nonadiabaticity beyond standard one-dimensional models. We study the F(2P) + HCl and F(2P) + H2 reactions as model applications. Our publicly available code (http://www2.chem.umd.edu/groups/alexander/FEM) is general and easy to use.
Magnetoresistance of polycrystalline gadolinium with varying grain size
Authors: Chakravorty Manotosh , Raychaudhuri A. K.
Published: January 2015

In this paper, we report a study of evolution of low field magnetoresistance (MR) of Gadolinium as the grain size in the sample is changed from few microns (∼4 μm) to the nanoscopic regime (∼35 nm). The low field MR has a clear effect on varying grain size. In large grain sample (few μm), the magnetic domains are controlled by local anisotropy field determined mainly by the magnetocrystalline anisotropy. The low field MR clearly reflects the temperature dependence of the magnetocrystalline anisotropy. For decreasing gain size, the contribution of spin disorder at the grain boundary increases and enhances the local anisotropy field.
Deviations from piecewise linearity in the solid-state limit with approximate density functionals
Authors: Vlček Vojtěch , Eisenberg Helen R. , Steinle-Neumann Gerd , Kronik Leeor , Baer Roi
Published: January 2015

In exact density functional theory, the total ground-state energy is a series of linear segments between integer electron points, a condition known as “piecewise linearity.” Deviation from this condition is indicative of poor predictive capabilities for electronic structure, in particular of ionization energies, fundamental gaps, and charge transfer. In this article, we take a new look at the deviation from linearity (i.e., curvature) in the solid-state limit by considering two different ways of approaching it: a large finite system of increasing size and a crystal represented by an increasingly large reference cell with periodic boundary conditions. We show that the curvature approaches vanishing values in both limits, even for functionals which yield poor predictions of electronic structure, and therefore cannot be used as a diagnostic or constructive tool in solids. We find that the approach towards zero curvature is different in each of the two limits, owing to the presence of a compensating background charge in the periodic case. Based on these findings, we present a new criterion for functional construction and evaluation, derived from the size-dependence of the curvature, along with a practical method for evaluating this criterion. For large finite systems, we further show that the curvature is dominated by the self-interaction of the highest occupied eigenstate. These findings are illustrated by computational studies of various solids, semiconductor nanocrystals, and long alkane chains.
On the edge energy of lipid membranes and the thermodynamic stability of pores
Authors: Pera H. , Kleijn J. M. , Leermakers F. A. M.
Published: January 2015

To perform its barrier function, the lipid bilayer membrane requires a robust resistance against pore formation. Using a self-consistent field (SCF) theory and a molecularly detailed model for membranes composed of charged or zwitterionic lipids, it is possible to predict structural, mechanical, and thermodynamical parameters for relevant lipid bilayer membranes. We argue that the edge energy in membranes is a function of the spontaneous lipid monolayer curvature, the mean bending modulus, and the membrane thickness. An analytical Helfrich-like model suggests that most bilayers should have a positive edge energy. This means that there is a natural resistance against pore formation. Edge energies evaluated explicitly in a two-gradient SCF model are consistent with this. Remarkably, the edge energy can become negative for phosphatidylglycerol (e.g., dioleoylphosphoglycerol) bilayers at a sufficiently low ionic strength. Such bilayers become unstable against the formation of pores or the formation of lipid disks. In the weakly curved limit, we study the curvature dependence of the edge energy and evaluate the preferred edge curvature and the edge bending modulus. The latter is always positive, and the former increases with increasing ionic strength. These results point to a small window of ionic strengths for which stable pores can form as too low ionic strengths give rise to lipid disks. Higher order curvature terms are necessary to accurately predict relevant pore sizes in bilayers. The electric double layer overlap across a small pore widens the window of ionic strengths for which pores are stable.
Hybrid pathwise sensitivity methods for discrete stochastic models of chemical reaction systems
Authors: Wolf Elizabeth Skubak , Anderson David F.
Published: January 2015

Stochastic models are often used to help understand the behavior of intracellular biochemical processes. The most common such models are continuous time Markov chains (CTMCs). Parametric sensitivities, which are derivatives of expectations of model output quantities with respect to model parameters, are useful in this setting for a variety of applications. In this paper, we introduce a class of hybrid pathwise differentiation methods for the numerical estimation of parametric sensitivities. The new hybrid methods combine elements from the three main classes of procedures for sensitivity estimation and have a number of desirable qualities. First, the new methods are unbiased for a broad class of problems. Second, the methods are applicable to nearly any physically relevant biochemical CTMC model. Third, and as we demonstrate on several numerical examples, the new methods are quite efficient, particularly if one wishes to estimate the full gradient of parametric sensitivities. The methods are rather intuitive and utilize the multilevel Monte Carlo philosophy of splitting an expectation into separate parts and handling each in an efficient manner.
Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions
Authors: Miceli Giacomo , de Gironcoli Stefano , Pasquarello Alfredo
Published: January 2015

We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal density functional augmented with nonlocal van der Waals interactions. The adopted scheme offers the advantage of simulating liquid water at essentially the same computational cost of standard semilocal functionals. Applied to the water dimer and to ice Ih, we find that the hydrogen-bond energy is only slightly enhanced compared to a standard semilocal functional. We simulate liquid water through molecular dynamics in the NpH statistical ensemble allowing for fluctuations of the system density. The structure of the liquid departs from that found with a semilocal functional leading to more compact structural arrangements. This indicates that the directionality of the hydrogen-bond interaction has a diminished role as compared to the overall attractions, as expected when dispersion interactions are accounted for. This is substantiated through a detailed analysis comprising the study of the partial radial distribution functions, various local order indices, the hydrogen-bond network, and the selfdiffusion coefficient. The explicit treatment of the van der Waals interactions leads to an overall improved description of liquid water.
Contributed Review: Review of integrated correlative light and electron microscopy
Authors: Timmermans F. J. , Otto C.
Published: January 2015

New developments in the field of microscopy enable to acquire increasing amounts of information from large sample areas and at an increased resolution. Depending on the nature of the technique, the information may reveal morphological, structural, chemical, and still other sample characteristics. In research fields, such as cell biology and materials science, there is an increasing demand to correlate these individual levels of information and in this way to obtain a better understanding of sample preparation and specific sample properties. To address this need, integrated systems were developed that combine nanometer resolution electron microscopes with optical microscopes, which produce chemically or label specific information through spectroscopy. The complementary information from electron microscopy and light microscopy presents an opportunity to investigate a broad range of sample properties in a correlated fashion. An important part of correlating the differences in information lies in bridging the different resolution and image contrast features. The trend to analyse samples using multiple correlated microscopes has resulted in a new research field. Current research is focused, for instance, on (a) the investigation of samples with nanometer scale distribution of inorganic and organic materials, (b) live cell analysis combined with electron microscopy, and (c) in situ spectroscopic and electron microscopy analysis of catalytic materials, but more areas will benefit from integrated correlative microscopy.
Space- and time-dependent quantum dynamics of spatially indirect excitons in semiconductor heterostructures
Authors: Grasselli Federico , Bertoni Andrea , Goldoni Guido
Published: January 2015

We study the unitary propagation of a two-particle one-dimensional Schrödinger equation by means of the Split-Step Fourier method, to study the coherent evolution of a spatially indirect exciton (IX) in semiconductor heterostructures. The mutual Coulomb interaction of the electron-hole pair and the electrostatic potentials generated by external gates and acting on the two particles separately are taken into account exactly in the two-particle dynamics. As relevant examples, step/downhill and barrier/well potential profiles are considered. The space- and time-dependent evolutions during the scattering event as well as the asymptotic time behavior are analyzed. For typical parameters of GaAs-based devices, the transmission or reflection of the pair turns out to be a complex two-particle process, due to comparable and competing Coulomb, electrostatic, and kinetic energy scales. Depending on the intensity and anisotropy of the scattering potentials, the quantum evolution may result in excitation of the IX internal degrees of freedom, dissociation of the pair, or transmission in small periodic IX wavepackets due to dwelling of one particle in the barrier region. We discuss the occurrence of each process in the full parameter space of the scattering potentials and the relevance of our results for current excitronic technologies.
Low energy electron attachment to cyanamide (NH2CN)
Authors: Tanzer Katrin , Pelc Andrzej , Huber Stefan E. , Czupyt Z. , Denifl Stephan
Published: January 2015

Cyanamide (NH2CN) is a molecule relevant for interstellar chemistry and the chemical evolution of life. In the present investigation, dissociative electron attachment to NH2CN has been studied in a crossed electron–molecular beams experiment in the electron energy range from about 0 eV to 14 eV. The following anionic species were detected: NHCN−, NCN−, CN−, NH2−, NH−, and CH2−. The anion formation proceeds within two broad electron energy regions, one between about 0.5 and 4.5 eV and a second between 4.5 and 12 eV. A discussion of possible reaction channels for all measured negative ions is provided. The experimental results are compared with calculations of the thermochemical thresholds of the anions observed. For the dehydrogenated parent anion, we explain the deviation between the experimental appearance energy of the anion with the calculated corresponding reaction threshold by electron attachment to the isomeric form of NH2CN—carbodiimide.
High thermal stability Sb3Te-TiN2 material for phase change memory application
Authors: Ji Xinglong , Wu Liangcai , Zhou Wangyang , Zhu Min , Rao Feng , Song Zhitang , Cao Liangliang , Feng Songlin
Published: January 2015

For phase change memory (PCM) applications, it has been widely accepted that δ phase Sb-Te has fast operation speed and good phase stability. However, the fast growth crystallization mechanism will cause poor amorphous phase stability and overlarge grain size. We introduce TiN2 into δ phase Sb-Te (Sb3Te) to enhance the amorphous thermal stability and refine the grain size. With TiN2 incorporating, the temperature for 10-year data retention increases from 79 °C to 124 °C. And the grain size decreases to dozens of nanometers scale. Based on X-ray photoelectron spectroscopy and transmission electron microscopy results, we knew that nitrogen atoms bond with titanium, forming disorder region at the grain boundary of Sb3Te-TiN2 (STTN). Thus, STTN has a quite different crystallization mechanism from Sb3Te. Furthermore, PCM device based on STTN can realize reversible phase change under 20 ns electrical pulse.