bluuebunny/crossref_metadata_2025 huggingface dataset:
Testing departure from additivity in Tukey's model using shrinkage: application to a longitudinal setting
Authors: Ko Yi‐An , Mukherjee Bhramar , Smith Jennifer A. , Park Sung Kyun , Kardia Sharon L. R. , Allison Matthew A. , Vokonas Pantel S. , Chen Jinbo , Diez‐Roux Ana V.
Published: August 2014

While there has been extensive research developing gene–environment interaction (GEI) methods in case‐control studies, little attention has been given to sparse and efficient modeling of GEI in longitudinal studies. In a two‐way table for GEI with rows and columns as categorical variables, a conventional saturated interaction model involves estimation of a specific parameter for each cell, with constraints ensuring identifiability. The estimates are unbiased but are potentially inefficient because the number of parameters to be estimated can grow quickly with increasing categories of row/column factors. On the other hand, Tukey's one‐degree‐of‐freedom model for non‐additivity treats the interaction term as a scaled product of row and column main effects. Because of the parsimonious form of interaction, the interaction estimate leads to enhanced efficiency, and the corresponding test could lead to increased power. Unfortunately, Tukey's model gives biased estimates and low power if the model is misspecified. When screening multiple GEIs where each genetic and environmental marker may exhibit a distinct interaction pattern, a robust estimator for interaction is important for GEI detection. We propose a shrinkage estimator for interaction effects that combines estimates from both Tukey's and saturated interaction models and use the corresponding Wald test for testing interaction in a longitudinal setting. The proposed estimator is robust to misspecification of interaction structure. We illustrate the proposed methods using two longitudinal studies—the Normative Aging Study and the Multi‐ethnic Study of Atherosclerosis. Copyright © 2014 John Wiley & Sons, Ltd.
Biomedical informatics and panomics for evidence‐based radiation therapy
Authors: El Naqa Issam
Published: August 2014

More than half of all cancer patients receive ionizing radiation as part of their treatment. Treatment outcomes are determined by complex interactions between cancer genetics, treatment regimens, and patient‐related variables. A key component of modern radiation oncology research is to predict at the time of treatment planning or during the course of fractionated radiation treatment, the probability of tumor eradication and normal tissue risks for the type of treatment being considered for the individual patient. A typical radiotherapy treatment scenario can generate a large pool of panomics data that may comprise 3D/4D anatomical and functional imaging information (noted as radiomics), in addition to biological markers (genomics, proteomics, metabolomics, etc.) derived from peripheral blood and tissue specimens. Radiotherapy data informatics constitutes a unique interface between physical and biological processes. It can benefit from the general advances in biomedical informatics research while still requires the development of its own technologies within this framework to address specific issues related to its unique physics–biology interface. We review recent advances and discuss current challenges to interrogate panomics data in radiotherapy using bioinformatics tools for data aggregation, sharing, visualization, and outcomes modeling. We provide examples based on our and others experiences using systems radiobiology and machine learning to develop predictive models of outcomes in radiotherapy. We also highlight the potential opportunities in this field for evidence‐based personalized medicine research for bioinformaticians and clinical decision‐makers.

This article is categorized under:

Algorithmic Development > Biological Data Mining

Application Areas > Health Care
Mixed Metals Sandwich‐Type Polyoxotungstogermanate with Morpholine Ligand: Synthesis, Crystal Structure, and Magnetic Properties
Authors: Jiang Ning , Li Bo , Xu Lin , Wang Yu‐Chao , Li Jian‐Mei
Published: August 2014

The polyoxotungstate (C4H10ON)9H3[Mn2Na2(C4H10ON)2(GeW9O34)2]·9H2O (1) was synthesized in aqueous solution and characterized by single‐crystal and powder X‐ray diffraction, IR spectroscopy, TGA, and variable temperature susceptibility measurements. The polyoxoanion framework of 1 is built on the lacunary Keggin‐type polyanion [GeW9O34]10–. The central core shows [Mn2Na2(μ4‐O)2(μ3‐O)6(μ2‐O)8(C4H10ON)2] where the morpholine molecule is bound to the Na+ ion. The polyanions of 1 are further bridged into a one‐dimensional (1D) chain by the hydrogen bonding interactions. The magnetic investigations demonstrate the presence of antiferromagnetic exchange interactions for 1.
Syntheses, Structures, and Fluorescent Properties of ­Lanthanide Complexes Based on the Ligand Benzotriazole‐5‐carboxylic Acid
Authors: Sun Chang‐Yan , Zhou Di , Li Yang , Li Wen‐Jun , Kang Zhi‐Tao
Published: August 2014

Three lanthanide complexes with the formula [Ln(Hbtca)3(4,4′‐bpy)(H2O)2]n·nH2O [Ln = Eu (1), Gd (2), Tb (3)] (4,4′‐bpy = 4,4′‐bipyridine; H2btca = benzotriazole‐5‐carboxylic acid) were synthesized and characterized. Single‐crystal X‐ray diffraction analysis shows that complexes 1–3 possess 1D chain structures. There are O–H···N, O–H···O, and N–H···N hydrogen bonds, which result in the formation of 3D supramolecular networks. When excited at 360 nm, complexes 1 and 3 give characteristic emissions of EuIII and TbIII ions, respectively, whereas in the mixed Eu/Tb complex, EuIII emissions are strengthened and TbIII emissions are quenched, which indicates that energy may be transferred from TbIII to EuIII ions.
High‐Resolution Powder Neutron Diffraction on Mn3C
Authors: Dierkes Hannes , Dronskowski Richard
Published: August 2014

The ground state of Mn3C, a metastable but nonetheless fundamental phase in the context of high‐manganese steels, is still a matter of debate, and even the atomic structure of Mn3C has never been refined in the past. Moreover, Mn3C has been described as being nonmagnetic, antiferromagnetic, and also ferrimagnetic. Herein, Mn3C's crystal structure and its magnetic ground state were probed for the first time by high‐resolution neutron diffraction between 3.5 and 300 K using well‐crystalline samples. Although the neutron‐diffraction quality is perfectly able to detect even the magnetic states of the impurities MnO and γ‐Mn, there is no sign of a magnetic ordering for Mn3C down to 3.5 K. Hence, it is justified to characterize Mn3C as paramagnetic at the time being.
Endophytic fungi: expanding the arsenal of industrial enzyme producers
Authors: Corrêa Rúbia Carvalho Gomes , Rhoden Sandro Augusto , Mota Thatiane Rodrigues , Azevedo João Lúcio , Pamphile João Alencar , de Souza Cristina Giatti Marques , Polizeli Maria de Lourdes Teixeira de Moraes , Bracht Adelar , Peralta Rosane Marina
Published: August 2014

Endophytic fungi, mostly belonging to the Ascomycota, are found in the intercellular spaces of the aerial plant parts, particularly in leaf sheaths, sometimes even within the bark and root system without inducing any visual symptoms of their presence. These fungi appear to have a capacity to produce a wide range of enzymes and secondary metabolites exhibiting a variety of biological activities. However, they have been only barely exploited as sources of enzymes of industrial interest. This review emphasizes the suitability and possible advantages of including the endophytic fungi in the screening of new enzyme producing organisms as well as in studies aiming to optimize the production of enzymes through well-known culture processes. Apparently endophytic fungi possess the two types of extracellular enzymatic systems necessary to degrade the vegetal biomass: (1) the hydrolytic system responsible for polysaccharide degradation consisting mainly in xylanases and cellulases; and (2) the unique oxidative ligninolytic system, which degrades lignin and opens phenyl rings, comprises mainly laccases, ligninases and peroxidases. The obvious ability of endophytic fungi to degrade the complex structure of lignocellulose makes them useful in the exploration of the lignocellulosic biomass for the production of fuel ethanol and other value-added commodity chemicals. In addition to this, endophytic fungi may become new sources of industrially useful enzymes such as lipases, amylases and proteases.
Links between patterns of racial socialization and discrimination experiences and psychological adjustment: A cluster analysis
Authors: Ajayi Alex A. , Syed Moin
Published: August 2014

This study used a person‐oriented analytic approach to identify meaningful patterns of barriers‐focused racial socialization and perceived racial discrimination experiences in a sample of 295 late adolescents. Using cluster analysis, three distinct groups were identified: Low Barrier Socialization‐Low Discrimination, High Barrier Socialization‐Low Discrimination, and High Barrier Socialization‐High Discrimination clusters. These groups were substantively unique in terms of the frequency of racial socialization messages about bias preparation and out‐group mistrust its members received and their actual perceived discrimination experiences. Further, individuals in the High Barrier Socialization‐High Discrimination cluster reported significantly higher depressive symptoms than those in the Low Barrier Socialization‐Low Discrimination and High Barrier Socialization‐Low Discrimination clusters. However, no differences in adjustment were observed between the Low Barrier Socialization‐Low Discrimination and High Barrier Socialization‐Low Discrimination clusters. Overall, the findings highlight important individual differences in how young people of color experience their race and how these differences have significant implications on psychological adjustment.
Dynamic Viscoelastic Incremental-Layerwise Finite Element Method for Multilayered Structure Analysis Based on the Relaxation Approach
Authors: Malakouti M. , Ameri M. , Malekzadeh P.
Published: August 2014

This paper presents an axisymmetric layerwise finite element formulation for dynamic analysis of laminated structures with embedded viscoelastic material whose constitutive behavior is represented by the Prony-generalized Maxwell series. To account the time dependence of the constitutive relations of linear viscoelastic materials, the incremental formulation in the temporal domain is used. Layerwise finite element has been shown to provide an efficient and accurate tool for the simulation of laminated structure. Most of the previous work on numerical simulation of laminated structures has been limited to elastic material behavior. Thus, the current work focuses on layerwise finite element analysis of laminated structures with embedded viscoelastic material. A computer code based on the presented formulation has been developed to provide the numerical results. The present approach is verified by studying its convergence behavior and comparing the numerical results with those obtained using the ABAQUS software. Finally, and as an application of the presented formulation, the effects of load duration on the dynamic structural responses of multilayered pavements are studied.
A More Robust Compressible Lattice Boltzmann Model by using the Numerical Filters
Authors: Ghadyani M. , Esfahanian V.
Published: August 2014

The stability of the lattice Boltzmann model (LBM) is a challenging problem in the simulation of compressible flows with different types of embedded discontinuities. This study, proposes a complementary scheme for simulation of inviscid compressible flows by the lattice Boltzmann models using the numerical filters to improve the stability. The advantages and disadvantages of the implementation of numerical filters on the primitive and conservative variables, in addition to, mesoscopic and macroscopic variables are investigated. Moreover, a shock-detecting sensor, which activates a second-order linear filter near the discontinuities and a higher-order linear filter in smooth regions, is described and assessed. This study demonstrates that the proposed complementary scheme is practical. Also the accuracy and robustness of the utilized LB models are improved for inviscid compressible flows by implementation of the numerical filters on primitive variables. The validity of the procedure to capture shocks and to resolve contact discontinuity and rarefaction waves in well-known benchmarks is investigated and good agreements are obtained for all test cases.
Radiative Flow of Jeffrey Fluid Through a Convectively Heated Stretching Cylinder
Authors: Hayat T. , Asad S. , Alsaedi A. , Alsaadi F. E.
Published: August 2014

Two-dimensional flow of Jeffrey fluid by an inclined stretching cylinder with convective boundary condition is studied. In addition the combined effects of thermal radiation and viscous dissipation are taken into consideration. The developed nonlinear partial differential equations are reduced into the ordinary differential equations by suitable transformations. The governing equations are solved for the series solutions. The convergence of the series solutions for velocity and temperature fields is carefully analyzed. The effects of various physical parameters such as ratio of relaxation to retardation times, Deborah number, radiation parameter, Biot number, curvature parameter, local Grashof number, Prandtl number, Eckert number and angle of inclination are examined through graphical and numerical results of the velocity and temperature distributions.
Aspect Ratio Effect on Multiple Flow Solutions in a Two-Sided Parallel Motion Lid-Driven Cavity
Authors: Chen K.-T. , Tsai C.-C. , Luo W.-J. , Lu C.-W. , Chen C.-H.
Published: August 2014

A continuation method, accompanied with a linear stability analysis, is employed to investigate the bifurcation diagram of the flow solutions, as well as the multiple flow states in a cavity with different aspect ratios for parallel motion of two facing lids. The Reynolds number proportional to the wall velocity is used as the continuation parameter, and the evolution of the bifurcation diagrams in cases with different aspect ratios is illustrated. The induced flow patterns are highly dependent upon both the aspect ratios and the moving velocity of the walls. Three different types of bifurcation diagrams and their corresponding flow states are classified according to the aspect ratios. One stable symmetric flow state and one stable asymmetric flow state are identified. The stable asymmetric flow state is obtained at a high aspect ratio and a low Reynolds number. Meanwhile, the regions of stable and unstable flows are distinguished according to the different aspect ratios.
Vibration Analysis for Piezoceramic Circular Plates with V-Notches. Part 1: Theory
Authors: Huang C.-H. , Chen Y.-Y.
Published: August 2014

In this paper the transverse vibration characteristics of piezoceramic circular plates with V-notches are investigated theoretically through use of the Ritz's method incorporated with the defined equivalent constants. The Ritz's method is employed with two sets of admissible displacement functions, algebraic-trigonometric polynomials and corner functions, to guarantee convergence sufficiently and represent the stress singularity, respectively. Moreover, the equivalent constants derived by comparing the characteristic equations of transverse vibration between isotropic and piezoceramic disks are applied to suspend the electrical field consideration regarding the piezoelectricity. With the aid of theoretical analysis, the non-dimensional frequency parameters of transverse vibration modes for completely free V-notching circular plates are exhibited; in addition, the frequency variations depending on various notch angles and depths are explored. Numerical calculations using the finite element method (FEM) are performed and the results are compared with the theoretical analysis. It is shown that the resonant frequencies predicted by theoretical analysis and calculated by FEM are in good agreement.
Effect of CPU Cache Size on OpenMP Computing Performance in Fluid-Film Lubrication Analysis
Authors: Wang N. , Cha K.-C. , Huang H.-C. , Hsu C.-R.
Published: August 2014

The growth of the size of cache and the number of processor cores in modern CPUs is the major factor in advancing the computing performance of modern machines. The effect of CPU cache size in multicore computers on performance, however, has attracted little attention in lubrication and engineering analyses. In this study, the effect of cache size on the computational performance of two parallel iterative methods in solving two Reynolds equations is examined. Four computers, with CPU cache size from 4 to 40 MB and the number of processor cores from 4 to 16, were used. The sizes of the numerical grid were selected to simulate large gridwork (256 × 256) to small gridwork (2048 × 2048) tasks. It is found that the size of CPU cache is a major factor influencing the parallel efficiency in using the RBSOR method. On the other hand, the SPSOR method obtains much higher parallel efficiency than the RBSOR for medium-grained tasks, regardless of the size of CPU cache. The use of the SPSOR can, therefore, provide a much better parallel computing performance than the RBSOR in the cases of having a large number of grids or in a system with limited CPU cache.
The Rate of Fatality and Demographic Characteristics Associated With Various Suicide Methods
Authors: Lee Chun-Yi , Wu Ya-Wen , Chen Chih-Ken , Wang Liang-Jen
Published: August 2014

Background: Understanding lethality and risk factors of suicide methods is an initial step in suicide prevention. Aims: To investigate the fatality rate and demographic characteristics of various suicide methods. Method: This study enrolled consecutive individuals with episodes of suicide attempts registered in a surveillance database in a city with a high rate of suicide mortality in Taiwan, from January 1, 2006, to December 31, 2010. In total, 3,089 suicide attempt events (including 2,583 nonfatal suicides and 506 completed suicides) occurred during the study period. Results: Overall, the fatality rate of suicides was 16.4%. Charcoal burning accounted for the most suicide deaths (37.6%), with a fatality rate of 50.1%. Suicide by hanging carried the highest fatality rate (81.2%). Males tended to choose more lethal methods and had higher fatality rates compared with females. Elders and married persons were less likely to attempt suicide by charcoal burning. The case fatality ratio increased along with age among suicide attempts, but not in those using charcoal burning. Conclusion: The choice of suicide methods and lethality might be influenced by one’s demographic characteristics. Results from this study may provide clues for establishing suicide prevention strategies such as restricting access to common lethal suicide methods in the high-risk group.
YLT192, a Novel, Orally Active Bioavailable Inhibitor of VEGFR2 Signaling with Potent Antiangiogenic Activity and Antitumor Efficacy in Preclinical Models
Authors: Xia Yong , Song Xuejiao , Li Deliang , Ye Tinghong , Xu Youzhi , Lin Hongjun , Meng Nana , Li Guobo , Deng Senyi , Zhang Shuang , Liu Li , Zhu Yongxia , Zeng Jun , Lei Qian , Pan Youli , Wei Yuquan , Zhao Yinglan , Yu Luoting
Published: August 2014

Antagonizing vascular endothelial growth factor receptor 2 (VEGFR2) to block angiogenesis has been applied toward cancer therapy for its role in promoting cancer growth and metastasis. However, most these clinical anticancer drugs have unexpected side effects. Development of novel VEGFR2 inhibitors with less toxicity remains an urgent need. In this study, we describe a novel, well-tolerated and orally active VEGFR2 inhibitor, YLT192, which inhibits tumor angiogenesis and growth. YLT192 significantly inhibited kinase activity of VEGFR2 and suppressed proliferation, migration, invasion and tube formation of human umbilical vascular endothelial cells (HUVEC) in vitro. In addition, it inhibited VEGF-induced phosphorylation of VEGFR2 and its downstream signaling regulator in HUVEC. Zebrafish embryonic models and alginate-encapsulated tumor cell assays indicated YLT192 also inhibited angiogenesis in vivo. Moreover, YLT192 could directly inhibit proliferation and induce apoptosis of cancer cells in vitro and in vivo. Oral administration of YLT192 at a dose of 100 mg/kg/day could markedly inhibited human tumor xenograft growth without causing obvious toxicities. It decreased microvessel densities (MVD) in tumor sections. It also shows good safety profiles in the studies with mice and rats. Taken together, these preclinical evaluations suggest that YLT192 inhibits angiogenesis and may be a promising anticancer drug candidate.
Testing the accuracy of an observation-based classifier for rapid detection of autism risk
Authors: Duda M , Kosmicki J A , Wall D P
Published: August 2014

Current approaches for diagnosing autism have high diagnostic validity but are time consuming and can contribute to delays in arriving at an official diagnosis. In a pilot study, we used machine learning to derive a classifier that represented a 72% reduction in length from the gold-standard Autism Diagnostic Observation Schedule-Generic (ADOS-G), while retaining >97% statistical accuracy. The pilot study focused on a relatively small sample of children with and without autism. The present study sought to further test the accuracy of the classifier (termed the observation-based classifier (OBC)) on an independent sample of 2616 children scored using ADOS from five data repositories and including both spectrum (n=2333) and non-spectrum (n=283) individuals. We tested OBC outcomes against the outcomes provided by the original and current ADOS algorithms, the best estimate clinical diagnosis, and the comparison score severity metric associated with ADOS-2. The OBC was significantly correlated with the ADOS-G (r=−0.814) and ADOS-2 (r=−0.779) and exhibited >97% sensitivity and >77% specificity in comparison to both ADOS algorithm scores. The correspondence to the best estimate clinical diagnosis was also high (accuracy=96.8%), with sensitivity of 97.1% and specificity of 83.3%. The correlation between the OBC score and the comparison score was significant (r=−0.628), suggesting that the OBC provides both a classification as well as a measure of severity of the phenotype. These results further demonstrate the accuracy of the OBC and suggest that reductions in the process of detecting and monitoring autism are possible.
A hybrid polyoxometalate–organic molecular catalyst for visible light driven water oxidation
Authors: Zhang C. , Lin X. , Zhang Z. , Long L.-S. , Wang C. , Lin W.
Published: August 2014

A novel organic–inorganic hybrid monocapped/bicapped Keggin structure [CoII(bpy)3]6(H2bpy)[(CoIIbpy)2(PMo8VIMo4VO40)]3 [(CoIIbpy)(PMo8VIMo4VO40)]·16H2O (bpy = 2,2′-bipyridine) was synthesized and shown to be an efficient visible light-driven catalyst for water oxidation.
Ag2S-hollow Fe2O3nanocomposites with NIR photoluminescence
Authors: Chen Yingjie , Dong Lifeng , Zhao Mei , Dong Hongzhou
Published: August 2014

A facile synthesis of Ag2S-hollow Fe2O3nanocomposites with NIR photoluminescence was firstly demonstrated by the sulfidation of Ag–Fe2O3core–shell nanoparticles.
High thermal stability of block copolymer-capped Au and Cu nanoparticles
Authors: Perepichka Iryna I. , Mezour Mohamed A. , Perepichka Dmitrii F. , Lennox R. Bruce
Published: August 2014

Pyridine-containing block copolymers (PS-P4VP) can effectively stabilize metal nanoparticles which survive prolonged heating in solutions at high temperatures.
Catalytic constructive deoxygenation of lignin-derived phenols: new C–C bond formation processes from imidazole-sulfonates and ether cleavage reactions
Authors: Leckie Stuart M. , Harkness Gavin J. , Clarke Matthew L.
Published: August 2014

Anticipating that 2-methoxyphenol could become an important renewable feedstock derived from lignin, various catalytic constructive deoxygenation reactions are reported (see scheme).
Reformation of organic dicarboxylate electrode materials for rechargeable batteries by molecular self-assembly
Authors: Yasuda Tomomi , Ogihara Nobuhiro
Published: August 2014

The capacity and resistance of the 2,6-naphthalene dicarboxylate dilithium electrode material can be enhanced by controlling the molecular self-assembly via ordering.
Manifestation of intrinsic defects in the band structures of quaternary chalcogenide Ag2In2SiSe6and Ag2In2GeSe6crystals
Authors: Makowska-Janusik M. , Kityk I. V. , Myronchuk G. , Zamuraeva O. , Parasyuk O. V.
Published: August 2014

Complex studies on the band structures of novel Ag2In2SiSe6and Ag2In2GeSe6crystals were performed.
Syntheses, topologies, and luminescence of four Ln–organic polymers constructed from aromatic tetracarboxylic acids
Authors: Fan Liming , Fan Weiliu , Song Weikuo , Liu Guangzeng , Zhang Xiutang , Zhao Xian
Published: August 2014

Four interesting Ln coordination polymers based on tetracarboxylate acids have been hydrothermally synthesized through the linker extension strategy.
Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution
Authors: Salorinne Kirsi , Lahtinen Tanja , Marjomäki Varpu , Häkkinen Hannu
Published: August 2014

Ethyl ester and carboxylic acid derivatives of WIN 61983 analogue were shown to crystallize either as polymorphs or solvates depending on their hydrogen bond forming abilities.
Large-scale first principles configuration interaction calculations of optical absorption in aluminum clusters
Authors: Shinde Ravindra , Shukla Alok
Published: August 2014

Optical absorption in Al clusters.
Unusual phenomena in the reduction process of vanadium(v) on a graphite electrode at high overpotentials
Authors: Wang Wenjun , Fan Xinzhuang , Liu Jianguo , Yan Chuanwei , Zeng Chaoliu
Published: August 2014

Two unusual phenomena are observed at a transition potential (EK) by steady-state potentiodynamic polarization and impedance spectroscopy measurements. The possible vanadium complexes such as V2O33+ might change the reduction mechanism at high overpotentials.
Theoretical-computational modeling of photo-induced charge separation spectra and charge recombination kinetics in solution
Authors: Piacente Giovanni , Amadei Andrea , D'Abramo Marco , Daidone Isabella , Aschi Massimiliano
Published: August 2014

A computational approach, based on molecular dynamics simulations and quantum-chemical calculations, is proposed for modelling the photo-induced charge separation and the kinetics of the subsequent charge recombination (CR) processes in solution.
Identification of synergistic Cu/V redox pair in VCu:AlPO-5; a comparison with VCu:ZSM-5
Authors: Bøyesen Katrine Lie , Kristiansen Tina , Mathisen Karina
Published: August 2014

The co-cation effect in AlPO-5 and ZSM-5 caused enhanced reducibility of vanadium and copper, also showing a broader activity window for acrolein formation during selective oxidation of propene.
Computational studies of electrochemical CO2 reduction on subnanometer transition metal clusters
Authors: Liu Cong , He Haiying , Zapol Peter , Curtiss Larry A.
Published: August 2014

Computational studies of electrochemical reduction of CO2 were carried out using tetra-atomic transition metal clusters.
Water-mediated interactions between trimethylamine-N-oxide and urea
Authors: Hunger Johannes , Ottosson Niklas , Mazur Kamila , Bonn Mischa , Bakker Huib J.
Published: August 2014

The osmoprotectant trimethylamine-N-oxide (TMAO) interacts with the protein denaturant ureaviathe hydrogen-bonded water network.
Atomistic origin of superior performance of ionic liquid electrolytes for Al-ion batteries
Authors: Kamath Ganesh , Narayanan Badri , Sankaranarayanan Subramanian K. R. S.
Published: August 2014

Ionic liquids are superior electrolytes for Al-ion batteries in comparison to traditional non-aqueous carbonates.
Cage-like effect in Au–Pt nanoparticle synthesis in microemulsions: a simulation study
Authors: Tojo C. , de Dios M. , Buceta D. , López-Quintela M. A.
Published: August 2014

Metal arrangement can be modified by changing the concentration.
Shining new light on the multifaceted dissociative photoionisation dynamics of CCl4
Authors: Harvey Jonelle , Tuckett Richard P. , Bodi Andras
Published: August 2014

Statisticality restored: high internal energy CCl4+ dissociates mostly according to statistical theory, and an intersystem crossing path precludes fluorescence.
The mechanism of N–Ag bonding determined tunability of surface-enhanced Raman scattering of pyridine on MAg (M = Cu, Ag, Au) diatomic clusters
Authors: Chen Lei , Gao Yang , Xu Haoran , Wang Zhigang , Li Zhengqiang , Zhang Rui-Qin
Published: August 2014

SERS spectra of the AuAg–Py complex: (a) an IE-enhanced spectrum at an incident wavelength of 369 nm, and (b) a CT-enhanced spectrum at an incident wavelength of 470 nm.
Synthesis, crystal structures and magnetic behaviour of four coordination compounds constructed with a phosphinic amide-TEMPO radical and [M(hfac)2] (M = CuII, CoIIand MnII)
Authors: Reis Samira G. , del Águila-Sánchez Miguel A. , Guedes Guilherme P. , Ferreira Glaucio B. , Novak Miguel A. , Speziali Nivaldo L. , López-Ortiz Fernando , Vaz Maria G. F.
Published: August 2014

The reaction of a phosphinic amide TEMPO radical with [M(hfac)2] complexes provides discrete or 1D molecular magnetic compounds.
An iron(ii) complex featuring κ3 and labile κ2-bound PNP pincer ligands – striking differences between CH2 and NH spacers
Authors: Bichler Bernhard , Glatz Mathias , Stöger Berthold , Mereiter Kurt , Veiros Luis F. , Kirchner Karl
Published: August 2014

By changing the spacer between the pyridine and the PPh2 unit from CH2 to NH the cationic octahedral complex [Fe(κ3-P,N,P-PNP)(κ2-P,N-PNP)Cl]+ featuring a κ2-P,N bound PNP ligand instead of [Fe(κ3-P,N,P-PNP)Cl2] is formed when FeCl2 is reacted with a PNP-Ph ligand.
Preparation, anti-trypanosomal activity and localisation of a series of dipeptide-based vinyl sulfones
Authors: Doherty William , James Jinju , Evans Paul , Martin Laura , Adler Nikoletta , Nolan Derek , Knox Andrew
Published: August 2014

An improved, Weinreb amide-based, synthesis of anti-trypanosomal lysine-containing vinyl sulfones is described incorporating, as a feature, diversity at the ε-lysine amino group.
Oxidative cleavage of benzylic C–N bonds under metal-free conditions
Authors: Gong Jin-Long , Qi Xinxin , Wei Duo , Feng Jian-Bo , Wu Xiao-Feng
Published: August 2014

An interesting and practical metal-free strategy has been developed for the synthesis of aromatic aldehydes using various N,N-dimethylbenzylamines as starting materials.
High surface area TiO2nanoparticles by a freeze-drying approach for dye-sensitized solar cells
Authors: Pai K. R. Narendra , Anjusree G. S. , Deepak T. G. , Subash Devika , Nair Shantikumar V. , Nair A. Sreekumaran
Published: August 2014

Titanium dioxide (TiO2) synthesized by freeze drying of a TiO2precursor–polyester composite followed by sintering and its performance when employed in dye-sensitized solar cells.
Nanoparticle retarded shape relaxation of dispersed droplets in polymer blends: an understanding from the viewpoint of molecular movement
Authors: Liu Xi-Qiang , Sun Zhen-Yi , Bao Rui-Ying , Yang Wei , Xie Bang-Hu , Yang Ming-Bo
Published: August 2014

Nanoparticle network in dispersed droplets of polymer blends retards the shape relaxation of droplets by inhibiting molecular movement.
Synthesis of nickel carbonate hydroxide/zeolitic imidazolate framework-8 as a supercapacitors electrode
Authors: Gao Yilong , Wu Jianxiang , Zhang Wei , Tan Yueyue , Gao Jing , Tang Bohejin , Zhao Jiachang
Published: August 2014

The zeolitic imidazolate framework-8 (ZIF-8), nickel carbonate hydroxide (Ni2CO3(OH)2) and Ni2CO3(OH)2/ZIF-8 composite material are synthesized by a typical solvothermal method.
Catalytic oxidation of acetone over CuCeOx nanofibers prepared by an electrospinning method
Authors: Qin Rui , Chen Jinghuan , Gao Xiang , Zhu Xinbo , Yu Xinning , Cen Kefa
Published: August 2014

A series of CuCeOx nanofiber catalysts with excellent performance toward acetone oxidation were prepared by an electrospinning method.
TiO2 nanoparticle/ZnO nanowire hybrid photoanode for enhanced quantum dot-sensitized solar cell performance
Authors: Deng Jianping , Wang Minqiang , Yang Chengao , Liu Jing , Song Xiaohui
Published: August 2014

A hybrid structured TiO2/ZnO photoanode was composed of highly ordered ZnO nanowires (NWs) and small TiO2 nanoparticles (NPs) filling the gaps among ZnO NWs.
A convenient and efficient C–OH bond activation, PdCl2(PPh3)2catalyzed, C–C bond formation of tautomerizable quinolinones with the aid of BOP reagent and boronic acids
Authors: Kumar Yadavalli Suneel , Dasaradhan C. , Prabakaran Kamalakannan , Nawaz Khan Fazlur-Rahman , Jeong Euh Duck , Chung Eun Hyuk , Hyun Gyu Kim Hyun Gyu Kim
Published: August 2014

C–C bond formation of tautomerizable quinolinones. C–OH bond activation using BOP reagent and boronic acids.
A highly efficient Nafion-H catalyst for vapour phase carbonylation of dimethoxymethane
Authors: Liu Shiping , Zhu Wenliang , Shi Lei , Liu Hongchao , Liu Yong , Ni Youming , Li Lina , Zhou Hui , Xu Shutao , Liu Zhongmin
Published: August 2014

Nafion-H resin catalyst exhibits a remarkably high activity and selectivity for methyl methoxyacetate in the vapor phase carbonylation of dimethoxymethane.
Ether solvent-induced chirality inversion of helical poly(quinoxaline-2,3-diyl)s containing l-lactic acid derived side chains
Authors: Nagata Yuuya , Kuroda Takuma , Takagi Keisuke , Suginome Michinori
Published: August 2014

Poly(quinoxaline-2,3-diyl) bearing PPh2 pendants along with chiral side chains derived from l-lactic acid exhibited induction of pure M- and P-helical conformations in 1,2-dimethoxyethane and t-butyl methyl ether, respectively, affording enantiomeric products in asymmetric Suzuki–Miyaura reaction.
A lithium peroxide precursor on the α-MnO2(100) surface
Authors: Crespo Yanier , Seriani Nicola
Published: August 2014

We have identified the most probable precursor for the formation of Li2O2nanoparticles on the α-MnO2(100) surface.
Expeditious fabrication of flower-like hierarchical mesoporous carbon superstructures as supercapacitor electrode materials
Authors: Liang Jiyuan , Chen Shenglan , Xie Mingjiang , Wang Yongzheng , Guo Xiangke , Guo Xuefeng , Ding Weiping
Published: August 2014

Flower-like hierarchical mesoporous carbon superstructures (FMCS), fabricated by one-pot hydrothermal reaction, exhibit outstanding supercapacitive performances.
Optical and structural properties of Nd doped SnO2 powder fabricated by the sol–gel method
Authors: Bouras K. , Rehspringer J.-L. , Schmerber G. , Rinnert H. , Colis S. , Ferblantier G. , Balestrieri M. , Ihiawakrim D. , Dinia A. , Slaoui A.
Published: August 2014

UV excitation of Nd doped SnO2 leads to visible & NIR emission: Nd3+ ions are optically active in SnO2 nanoparticles.
Cyclically permutable codes specified by roots of generator polynomial
Authors: Lemos‐Neto J.S. , da Rocha V.C.
Published: August 2014

A condition is proven on the roots of the generator polynomial of a q‐ary cyclic code of block length n which guarantees full cyclic order for all nonzero codewords. For such cyclic codes having n = qm − 1, a theorem is proven which allows to partition the set of all nonzero codewords into cyclic equivalence classes of order n.
Optimising node selection probabilities in multi‐hop M/D/1 queuing networks to reduce latency of Tor
Authors: Herbert S.J. , Murdoch S.J. , Punskaya E.
Published: August 2014

The expected cell latency for multi‐hop M/D/1 queuing networks, where users choose nodes randomly according to some distribution, is derived. It is shown that the resulting optimisation surface is convex, and thus gradient‐based methods can be used to find the optimal node assignment probabilities. This is applied to a typical snapshot of the Tor anonymity network at 50% usage, and leads to a reduction in expected cell latency from 11.7 ms using the original method of assigning node selection probabilities to 1.3 ms. It is also shown that even if the usage is not known exactly, the proposed method still leads to an improvement.
Frequency increase in terahertz oscillation of resonant tunnelling diode up to 1.55 THz by reduced slot‐antenna length
Authors: Maekawa T. , Kanaya H. , Suzuki S. , Asada M.
Published: August 2014

A report is presented on the dependence of oscillation frequency on antenna length in resonant‐tunnelling‐diode terahertz (THz) oscillators integrated with slot antennas. The upper limit of the oscillation frequency was maximised at an optimum antenna length. The highest oscillation frequency obtained in the experiment was 1.55 THz for a 16 μm‐long antenna at room temperature.
Optimal multi‐input–multi‐output relay transform matrix with a bounded condition number
Authors: Shariat Mohammad Hassan , Biguesh Mehrzad , Gazor Saeed
Published: August 2014

A relay communication system where its nodes are equipped with multiple antennas is considered. The relay applies a transformation matrix on its received signal and forwards it to the destination. The authors show that, given a limited relay transmit power, the transformation matrix which maximises the signal‐to‐noise power ratio (SNR) is almost surely a rank‐one matrix. Such a singular transformation matrix prevents accurate channel estimation. As a remedy, they impose a constraint on the condition number (CN) of the relay transformation matrix. They prove that the optimal relay matrix under this new constraint has up to two distinct singular values. Thus, the relay transmits some power in all directions, and this small energy allows better channel estimation. The author's simulation results show that imposing the CN constraint on the relay matrix results in some small loss in the SNR which is quantified in this study; however, the optimal relay matrix enables the receivers to track the channel state information.
Linear‐minimum‐mean‐square‐error observer for multi‐rate sensor fusion with missing measurements
Authors: Geng Hang , Liang Yan , Zhang Xiaojing
Published: August 2014

This note presents the problem of designing the linear‐minimum‐mean‐square‐error observer for a class of multi‐rate sensor fusion systems with missing measurements. Under the casuality constraint because of the multi‐rate nature, the covariances of the equivalent noises in the estimation error system are obtained via multi‐rate recursive computation. Through minimising the traces of the covariances of the estimation errors, the optimal observer is obtained. Fortunately, all the observer parameters can be calculated off‐line. A numerical example is given to show the effectiveness of the proposed observer.
Estimating rotor parameters in induction motors using high‐order sliding mode algorithms
Authors: Angulo Marco Tulio , Carrillo‐Serrano Roberto V.
Published: August 2014

A good estimate of the rotor's parameters is essential in high‐performance control of induction motors. It is shown that the structural impediment that prevents applying a usual adaptive observer to estimate these parameters is that the relative degree between the measured output and the unknown parameters is not one. Then, the high‐order sliding mode differentiator is used to circumvent this restriction allowing the construction of a usual adaptive observer. Simulation results are presented to illustrate the performance of the proposed observer under ideal conditions and in the presence of measurement noises.
Disturbance attenuation for systems with second‐order sliding modes via linear compensators
Authors: Rosales Antonio , Boiko Igor
Published: August 2014

Non‐ideal disturbance attenuation emerges in systems with sliding mode controllers when parasitic dynamics are present. In this work, the problem of non‐ideal disturbance attenuation in systems controlled by second‐order sliding modes is considered. Describing function and locus of a perturbed relay system (LPRS) methods are used for analysis of non‐ideal disturbance attenuation. The proposed solution is to introduce a linear compensator (series or parallel) in the control loop to modify the system frequency response, that is, the Nyquist plot or LPRS. The design methodology for both parallel and series compensators is presented. The proposed solution allows one to improve disturbance attenuation and tracking quality, thereby reducing the effect of parasitic dynamics which is reflected in the system frequency response. Experiments supporting the proposed approach and simulations are provided.
Data regeneration for an all‐photonic digital radio over fibre
Authors: Abdollahi Seyed Reza , Al‐Raweshidy Hamed Saffa , Owens Thomas John
Published: August 2014

All‐photonic digital radio over fibre (AP‐DRoF) is a suitable candidate for a digital optical link. In this study, the system and simulation modelling of the proposed photonic data regeneration architecture for the generated return to zero (RZ) pulses of an AP‐DRoF link is presented. The proposed data regeneration architecture is based on time stretching, optical sampling and optical hard limiting. Based on the system model, a comprehensive analysis and performance evaluation of the proposed system is presented. The results of simulations carried out to evaluate the performance of the system show that using the proposed regenerator in an AP‐DRoF link for regeneration of the ultra‐short RZ pulses at 65 Gbit/s reduced root‐mean‐squared timing jitter by about 90%, while the regenerated pulse eye opening height is improved by 65%.
One‐comparator counter‐based controller for synchronous DC/DC converters
Authors: Aldhaher Samer , Whidborne James F. , Luk Patrick Chi‐Kwong
Published: August 2014

A low complexity, low component‐count digital controller consisting of a single comparator and a digital counter is proposed for the purpose of providing control and voltage regulation for synchronous buck DC/DC converters used in voltage ripple insensitive applications. The system is modelled and analysed based on an averaged‐circuit representation of the buck converter including the parasitic resistances of its passive and active components. The existence of limit cycles is investigated by using a describing function to represent the comparator and the pulse‐width modulated generator. The simulation results are presented and are verified with experimental results for a 36 W prototype. The validity of the predicted performance of the proposed controller for higher loading conditions is thus confirmed.
Research on input‐voltage feedforward control for high‐order converter topologies
Authors: Li Yan , Jia Pengyu , Zheng Trillion Q.
Published: August 2014

The input‐voltage feedforward control for the high‐order converter is researched in this study. Input‐voltage feedforward control can significantly reduce the audio susceptibility, that is, the input voltage to output voltage transfer function of DC–DC converter. The unified feedforward controller forms in different control modes have been derived. If the converter's model is a high‐order model, its desired feedforward controller to eliminate audio susceptibility is complex. In this study, a decomposition block diagram for high‐order controller is given so the complex controller can be realised by the composition of simple controllers. When the desired controller is impossible for realisation, its proportional form can be applied to the converter to decrease the audio susceptibility in the low‐frequency range. The effective frequency range is related to the main circuit parameters of the converter. The conclusions have been verified by simulation and experiment results.
Generalised transformerless ultra step‐up DC–DC converter with reduced voltage stress on semiconductors
Authors: Nouri Tohid , Hosseini Seyed Hossein , Babaei Ebrahim , Ebrahimi Jaber
Published: August 2014

A non‐isolated DC–DC converter with high‐voltage gain and low‐voltage stress across the semiconductors is proposed in this study. The proposed converter consists of n stages of diode–capacitor–inductor (D–C–L) units at the input side and m units of voltage multiplier cells (VMCs) at the output side. Increasing of D–C–L units and VMCs, lead to high‐voltage gain at low duty cycle. Lower values of duty cycle will result in increasing of converter controllability and increasing of operation region. Also by increasing of VMCs, the voltage stress across the main switch and other semiconductors is reduced severely. Decreasing of voltage stress across the main switch leads to use a switch with lower RDS‐ON that reduces on state losses of the proposed converter. Besides, by decreasing of voltage stress across the diode rectifiers, diodes with less forward voltage drop can be adopted. The circuit performance will be compared with other solutions that were previously proposed for voltage step‐up in the terms of voltage gain, main switch voltage stress and number of components. Finally, a 357 V–65.5 W laboratory prototype with 92% conversion efficiency is built in order to prove the satisfying operation of the proposed converter and carried mathematical analysis.
Induction motor control based on approximate stator flux
Authors: Sangsefidi Younes , Ziaeinejad Saleh , Nabi Hamid Pairodin , Shoulaie Abbas
Published: August 2014

In this study, a novel sensorless method for the induction motor control is proposed. In this method, magnitude and rotational speed of approximate stator flux vector are controlled. In the proposed approximate stator flux control (ASFC) method, utilisation of the mechanical sensors and current transducers is not required. Therefore implementation cost of ASFC is comparable with that of conventional v/f control method. In ASFC, in linear modulation range, to control rotating field speed and stator flux modulus, desired voltage vector components in line with and perpendicular to the stator flux vector are calculated. Based on these two components, three‐phase voltages are applied to three‐phase inverter using pulse‐width modulation strategy. In addition, in overmodulation range, a switching‐table‐based approach is presented to control the rotating field speed by adjusting the stator flux modulus. The relationship between the stator flux modulus and rotating field speed is derived and it is shown that average switching frequency is calculable and under control. Through simulations and experiments, ASFC method is compared with v/f method in terms of motor behaviour in starting and steady‐state operation. Also, correctness of presented formulas is validated by simulations and experimental results.
Bilateral, Bipedicled DIEP Flap for Staged Reconstruction of Cranial Deformity
Authors: Slater Julia C. , Sosin Michael , Rodriguez Eduardo D. , Bojovic Branko
Published: August 2014

The deep inferior epigastric perforator (DIEP) adipocutaneous flap is a versatile flap that has been most popularly used in breast reconstruction. However, it has been applied to many other anatomic areas and circumstances that require free-tissue transfer. We present a case report of the use of the DIEP flap for the reconstruction of severe craniomaxillofacial deformity complicated by indolent infection in a gentleman with infected hardware and methyl methacrylate overlay used in previous repair of traumatic injuries suffered from a motor vehicle collision. The reconstruction was done in a staged, two-step fashion that allowed for adequate infection eradication and treatment using a bilateral, bipedicled DIEP flap for tissue coverage and intravenous antibiotics before the delayed insertion of a polyetheretherketone cranioplasty for reconstruction of the cranial defect.