bluuebunny/crossref_metadata_2025 huggingface dataset:
Tunable charge transfer properties in metal-phthalocyanine heterojunctions
Authors: Siles P. F. , Hahn T. , Salvan G. , Knupfer M. , Zhu F. , Zahn D. R. T. , Schmidt O. G.
Published: March 2016

The transport properties of phthalocyanine heterojunctions are precisely tuned via engineering of the organic heterostructure. Conductive AFM techniques allow identifying transport mechanisms and performing nanoscale spatial mapping of carrier mobility.
Microwave-assisted one-step synthesis and characterization of a slow release nitrogen fertilizer with inorganic and organic composites
Authors: Wen Peng , Wu Zhansheng , He Yanhui , Ye Bang-Ce , Han Yajie , Guan Xinyuan , Wang Jun
Published: March 2016

Microwave-assisted one-step synthesis of a novel high-performance slow release nitrogen fertilizer with inorganic and organic composites.
A copolymer capsule with a magnetic core for hydrophilic or hydrophobic drug delivery via thermo-responsive stimuli or carrier biodegradation
Authors: Li Aihua , Ma Hongjing , Feng Shengyu , Liu Jingquan
Published: March 2016

The glutathione-triggered and thermal-responsive polymer microcapsule carrier with magnetic core, Fe3O4@capsule is prepared for controlled release of hydrophilic or hydrophobic drug molecules.
The m-SiCNW/FKM nanocomposites: fabrication, characterization and properties
Authors: Li Zhenjiang , Hu Juxiu , Zhang Yunbo , Song Guanying , Meng Alan , Li Qingdang
Published: March 2016

Nanocomposites consisting of the fluoroelastomer (FKM) matrix and modified SiC nanowires (m-SiCNWs) as strengthening phase (coded as m-SiCNW/FKM nanocomposites) have been prepared for the first time on an open two-roll mill.
Novel synthesis of bismuth oxyiodide/graphitic carbon nitride nanocomposites with enhanced visible-light photocatalytic activity
Authors: Chou Shang-Yi , Chen Chiing-Chang , Dai Yong-Ming , Lin Jia-Hao , Lee Wenlian William
Published: March 2016

The first systematic synthetic study of bismuth oxyiodide/graphitic carbon nitride (BiOxIy/g-C3N4) nanocomposite preparation using a controlled hydrothermal method is reported.
Ni on the CeO2(110) and (100) surfaces: adsorption vs. substitution effects on the electronic and geometric structures and oxygen vacancies
Authors: Li W. Q. , Goverapet Srinivasan S. , Salahub D. R. , Heine T.
Published: March 2016

We report density functional theory (DFT) calculations of the interactions of both Ni adsorbate and substitutional dopant with the ceria (110) and (100) surfaces to explain the origin of the activity of Ni/ceria catalysts.
Four Cu(ii) complexes based on antitumor chelators: synthesis, structure, DNA binding/damage, HSA interaction and enhanced cytotoxicity
Authors: Liu Ya-Hong , Li Ang , Shao Jia , Xie Cheng-Zhi , Song Xue-Qing , Bao Wei-Guo , Xu Jing-Yuan
Published: March 2016

Four novel thiosemicarbazone-based Cu(ii) complexes were prepared and all exhibited striking cell viability inhibition and DNA damage, suggesting to be potential promising candidates as antitumor agents.
Aqueous chlorination of mefenamic acid: kinetics, transformation by-products and ecotoxicity assessment
Authors: Adira Wan Khalit Wan Nor , Tay Kheng Soo
Published: March 2016

Mefenamic acid (Mfe) is one of the most frequently detected nonsteroidal anti-inflammatory drugs in the environment.
Emerging investigators series: microbial communities in full-scale drinking water distribution systems – a meta-analysis
Authors: Bautista-de los Santos Quyen M. , Schroeder Joanna L. , Sevillano-Rivera Maria C. , Sungthong Rungroch , Ijaz Umer Z. , Sloan William T. , Pinto Ameet J.
Published: March 2016

In this study, we co-analyze all available 16S rRNA gene sequencing studies from bulk drinking water samples in full-scale drinking water distribution systems.
Functional correlations of respiratory syncytial virus proteins to intrinsic disorder
Authors: Whelan Jillian N. , Reddy Krishna D. , Uversky Vladimir N. , Teng Michael N.
Published: March 2016

The respiratory syncytial virus proteome is highly enriched in intrinsically disordered regions, which confer many functional advantages.
Recyclable SERS substrates based on Fe2O3–Ag hybrid hollow microspheres with crumpled surfaces
Authors: Weng Xuexiang , Feng Zhiling , Guo Yina , Feng Jiu-Ju , Hudson Sarah P. , Zheng Jufang , Ruan Yongming , Laffir Fathima , Pita Isabel
Published: March 2016

Fe2O3–Ag hybrid hollow microspheres with crumpled surfaces were prepared as SERS recyclable substrates for 4-aminobenzenethiol (4-ABT) and toxin protein ricin.
iPAINT: a general approach tailored to image the topology of interfaces with nanometer resolution
Authors: Aloi A. , Vilanova N. , Albertazzi L. , Voets I. K.
Published: March 2016

iPAINT enables three-dimensional super-resolution imaging of soft and deformable interfaces in nanomaterials without the need of covalent labelling.
A sulphonated carbon dot–chitosan hybrid hydrogel nanocomposite as an efficient ion-exchange film for Ca2+ and Mg2+ removal
Authors: Baruah Upama , Konwar Achyut , Chowdhury Devasish
Published: March 2016

A hybrid chitosan-sulphonated carbon dot nanocomposite as a potential ion-exchange film for Ca2+ and Mg2+ absorption is reported.
An ATRP-based approach towards water-borne anisotropic polymer–Gibbsite nanocomposites
Authors: Loiko Olessya P. , Spoelstra Anne B. , van Herk Alexander M. , Meuldijk Jan , Heuts Johan P. A.
Published: March 2016

This paper describes the synthesis of anisotropic polymer–Gibbsite nanocomposites with “muffin-like” morphology via a starved-feed ATRP emulsion polymerisation.
Hyperbranched polymers from A2 + B3 strategy: recent advances in description and control of fine topology
Authors: Chen Heng , Kong Jie
Published: March 2016

Recent advances in the fine topology regulation of hyperbranched polymers from an A2 + B3 strategy were presented from the perspectives of topology description and architecture control.
Flow-induced structures observed in a viscoelastic reverse wormlike micellar system by magnetic resonance imaging and NMR velocimetry
Authors: Angelico R. , Gentile L. , Ranieri G. A. , Oliviero Rossi C.
Published: March 2016

Organogel formed by lecithin reverse wormlike micelles in the isotropic concentrated regime exhibits flow induced micro-heterogeneities detected by rheo-NMR and NMR-velocimetry.
Prussian blue functionalized microcapsules for effective removal of cesium in a water environment
Authors: Feng Shanshan , Li Xiaoda , Ma Fang , Liu Renfa , Fu Guanglei , Xing Sen , Yue Xiuli
Published: March 2016

In this work, a novel non-toxic and effective adsorbent, Prussian blue functionalized microcapsules (PB-MCs) was first developed for the highly efficient removal of cesium ions by flotation separation from aqueous solutions.
Martensitic transition, spin glass behavior and enhanced exchange bias in Si substituted Ni50Mn36Sn14 Heusler alloys
Authors: Raji G. R. , Uthaman Bhagya , Rajan Rajesh Kumar , M. P. Sharannia , Thomas Senoy , Suresh K. G. , Varma Manoj Raama
Published: March 2016

The martensitic transition and exchange bias properties of the Heusler alloy system Ni50Mn36Sn14−xSix (x = 0, 1, 2 and 3) have been investigated.
CdS/CdSe co-sensitized 3D SnO2/TiO2 sea urchin-like nanotube arrays as an efficient photoanode for photoelectrochemical hydrogen generation
Authors: Li Cheng , Zhang Haifeng , Cheng Chuanwei
Published: March 2016

A novel CdS/CdSe co-sensitized 3D SnO2/TiO2 urchin-like nanotube photoelectrode is designed for photoelectrochemical hydrogen production, which exhibits excellent PEC performance.
Ferrocene and [3]ferrocenophane-based β-diketonato copper(ii) and zinc(ii) complexes: synthesis, crystal structure, electrochemistry and catalytic effect on thermal decomposition of ammonium perchlorate
Authors: Zhao Haiying , Zhu Xueyou , Shang Yadong , Chen Shufeng , Li Baoguo , Bian Zhanxi
Published: March 2016

Ferrocene and [3]ferrocenophane-based β-diketonato Cu(ii) complexes exhibit enhanced electrochemical behaviors and burning rate catalytic effects compared with the Zn(ii) complexes.
A newly designed softoxometalate [BMIm]2[DMIm][α-PW12O40]@hydrocalumite that controls the chain length of polyacrylic acid in the presence of light
Authors: Das Santu , Roy Soumyajit
Published: March 2016

We have controlled the radical as well as cationic polymerization of acrylic acid using [BMIm]2[DMIm][α-PW12O40]@hydrocalumite (SOM 2) as a photocatalyst.
Use of steel slag for CO2 capture under realistic calcium-looping conditions
Authors: Miranda-Pizarro Juan , Perejón Antonio , Valverde Jose Manuel , Sánchez-Jiménez Pedro E. , Pérez-Maqueda Luis A.
Published: March 2016

CaO derived from steel slag pretreated with acetic acid can be regenerated in short residence times at 900 °C and its capture capacity is greatly improved.
A robust and efficient visible light driven photocatalyst for hydrogen evolution based on ruthenium dye N3 covalently immobilized on reduced graphene oxide
Authors: Wang Dandan , Huang Jie , Li Kezhen , Zhang Chunyong , Du Yukou , Yang Ping
Published: March 2016

A robust and efficient photocatalyst based on ruthenium dye N3 covalently immobilized on reduced graphene oxide was used for photocatalytic hydrogen evolution.
Sensing anions on surfaces: tethering triazolium based anion receptors to polymer resins
Authors: Byrne S. , Mullen K. M.
Published: March 2016

Herein we report the development of a new series of surface bound triazolium based anion sensors. Differences in the chemical reactivity and anion binding properties were observed; highlighting the need for good surface characterisation techniques such as HR MAS NMR.
A wash-durable polyelectrolyte complex that extinguishes flames on polyester–cotton fabric
Authors: Haile Merid , Leistner Marcus , Sarwar Owais , Toler Courtney M. , Henderson Robert , Grunlan Jaime C.
Published: March 2016

Polyester–cotton (PECO) blends were rendered flame retardant by depositing a stable polyelectrolyte complex as a wash-durable coating.
Diamide-based fullerosteroidal and disteroidal [2]rotaxanes: solvent-induced macrocycle translocation and/or unthreading
Authors: Pavlović Radoslav Z. , Bjelaković Mira S. , Milić Dragana R.
Published: March 2016

Two hydrogen bonded rotaxanes: a template directed synthesis, detailed characterization and shuttling/unthreading processes.
Spatiotemporally controllable acoustothermal heating and its application to disposable thermochromic displays
Authors: Park Jinsoo , Ha Byung Hang , Destgeer Ghulam , Jung Jin Ho , Sung Hyung Jin
Published: March 2016

Disposable thermochromic displays using spatiotemporally controllable acoustothermal heating are reported. A variety of thermochromic displays are presented to prove the applicability of the proposed thermochromic display system.
Electrocatalytic study of a 1,10-phenanthroline–cobalt(ii) metal complex catalyst supported on reduced graphene oxide towards oxygen reduction reaction
Authors: Ren Cancan , Li Haibo , Li Rui , Xu Shuling , Wei Denghu , Kang Wenjun , Wang Lei , Jia Liping , Yang Bingchuan , Liu Jifeng
Published: March 2016

1,10-Phenanthroline–cobalt(ii) metal-complex supported on rGO exhibited a high efficient four-electron catalytic activity towards ORR.
Photochemical reactions of g-C3N4-based heterostructured composites in Rhodamine B degradation under visible light
Authors: Liu Yumeng , Wang Junpeng , Yang Ping
Published: March 2016

Visible-light-driven Ag2O/g-C3N4, Ag/g-C3N4, and BiOBr/g-C3N4 heterostructured photocatalysts revealed different photodegradation reaction kinetics for RhB.
Coupled cobalt oxide/hollow carbon sphere as an efficient electrocatalyst for the oxygen reduction reaction
Authors: Chen Zongkun , He Dandan , Xu Xiujuan , Liu Zhenzhen , Huang Minghua , Wang Xin , Jiang Heqing
Published: March 2016

Nanosized Co3O4 and the hollow carbon sphere has been deliberately coupled to be as an non-precious efficient catalyst for oxygen reduction reaction by a facile one-pot method.
Gas mixing in a multi-stage conversion fluidized bed (MFB) with secondary air injection. Part I: an experimental study
Authors: Zhang Rong , Hao Zhenhua , Wang Zhiyu , Huo Xiaodong , Li Junguo , Song Sufang , Fang Yitian
Published: March 2016

This paper investigated the distribution of secondary air after injection into a multi-stage conversion fluidized bed (MFB) cold model.
A versatile and cost-effective reduced graphene oxide-crosslinked polyurethane sponge for highly effective wastewater treatment
Authors: Zhu Haiguang , Chen Dongyun , Yang Shun , Li Najun , Xu Qingfeng , Li Hua , Wang Lihua , He Jinghui , Jiang Jun , Lu Jianmei
Published: March 2016

Porous PU foam crosslinked with reduced GO (rGO) was fabricated for highly effective oil–water separation, electrolytic decomposition and hazardous ion adsorption from water.
Sulfonate anionic small molecule as a cathode interfacial material for highly efficient polymer solar cells
Authors: Song Changjian , Liu Xiaohui , Li Xiaodong , Zhang Wenjun , Bai Yueling , Fang Junfeng
Published: March 2016

A non-amino small molecule, TBT-a, with sulfonate anionic pendants was developed as a cathode interlayer in efficient PSCs.
Single nanoparticle plasmonic spectroscopy for study of the efflux function of multidrug ABC membrane transporters of single live cells
Authors: Browning Lauren M. , Lee Kerry J. , Cherukuri Pavan K. , Nallathamby Prakash D. , Warren Seth , Jault Jean-Michel , Xu Xiao-Hong Nancy
Published: March 2016

Single plasmonic nanoparticles for imaging of efflux function of multidrug membrane transporters of single live cells.
The auxiliary [4Fe–4S] cluster of the Radical SAM heme synthase from Methanosarcina barkeri is involved in electron transfer
Authors: Kühner Melanie , Schweyen Peter , Hoffmann Martin , Ramos José Vazquez , Reijerse Edward J. , Lubitz Wolfgang , Bröring Martin , Layer Gunhild
Published: March 2016

The heme synthase AhbD catalyzes the oxidative decarboxylation of two propionate side chains of iron-coproporphyrin III to the corresponding vinyl groups of heme during the alternative heme biosynthesis pathway.
In situ polymerization of ethylenedioxythiophene from sulfonated carbon nanotube templates: toward high efficiency ITO-free solar cells
Authors: Hu Xiaotian , Chen Lie , Tan Licheng , Ji Ting , Zhang Yong , Zhang Lin , Zhang Di , Chen Yiwang
Published: March 2016

A fabrication of in situ poly(3,4-ethylenedioxythiophene):polystyrene sulfonate via a polymerization template of sulfonated carbon nanotubes is used for universal electrodes.
The applications of carbon nanotubes and graphene in advanced rechargeable lithium batteries
Authors: Yuan Wenyu , Zhang Yani , Cheng Laifei , Wu Heng , Zheng Lianxi , Zhao Donglin
Published: March 2016

This study summarizes the unique advantages of CNTs and graphene in battery applications, updates the most recent progress, and compares the prospects and challenges of CNTs and graphene for future full utilization in energy storage applications.
The formation mechanism of gradient porous Si in a contactless electrochemical process
Authors: Zhao Mingrui , McCormack Angelin , Keswani Manish
Published: March 2016

The formation mechanism of radially symmetric gradient porous silicon obtained using a contactless electrochemical technique has been investigated.
Thiazole-based scaffolding for high performance solar cells
Authors: Bulut I. , Chávez P. , Mirloup A. , Huaulmé Q. , Hébraud A. , Heinrich B. , Fall S. , Méry S. , Ziessel R. , Heiser T. , Lévêque P. , Leclerc N.
Published: March 2016

Positive impacts on the PCE by using thiazole instead of thiophene in soluble electron-donor small molecules for OPV.
Pleiotropic effects of the vacuolar ABC transporter MLT1 of Candida albicans on cell function and virulence
Authors: Khandelwal Nitesh Kumar , Kaemmer Philipp , Förster Toni M. , Singh Ashutosh , Coste Alix T. , Andes David R. , Hube Bernhard , Sanglard Dominique , Chauhan Neeraj , Kaur Rupinder , d'Enfert Christophe , Mondal Alok Kumar , Prasad Rajendra
Published: March 2016

Among the several mechanisms that contribute to MDR (multidrug resistance), the overexpression of drug-efflux pumps belonging to the ABC (ATP-binding cassette) superfamily is the most frequent cause of resistance to antifungal agents. The multidrug transporter proteins Cdr1p and Cdr2p of the ABCG subfamily are major players in the development of MDR in Candida albicans. Because several genes coding for ABC proteins exist in the genome of C. albicans, but only Cdr1p and Cdr2p have established roles in MDR, it is implicit that the other members of the ABC family also have alternative physiological roles. The present study focuses on an ABC transporter of C. albicans, Mlt1p, which is localized in the vacuolar membrane and specifically transports PC (phosphatidylcholine) into the vacuolar lumen. Transcriptional profiling of the mlt1∆/∆ mutant revealed a down-regulation of the genes involved in endocytosis, oxidoreductase activity, virulence and hyphal development. High-throughput MS-based lipidome analysis revealed that the Mlt1p levels affect lipid homoeostasis and thus lead to a plethora of physiological perturbations. These include a delay in endocytosis, inefficient sequestering of reactive oxygen species (ROS), defects in hyphal development and attenuated virulence. The present study is an emerging example where new and unconventional roles of an ABC transporter are being identified.
Hypertensive retinopathy in a transgenic angiotensin-based model
Authors: Reichhart Nadine , Haase Nadine , Crespo-Garcia Sergio , Skosyrski Sergej , Herrspiegel Christina , Kociok Norbert , Fuchshofer Rudolf , Dillinger Andrea , Poglitsch Marco , Müller Dominik N. , Joussen Antonia M. , Luft Friedrich C. , Dechend Ralf , Strauß Olaf
Published: March 2016

Severe hypertension destroys eyesight. The RAS (renin–angiotensin system) may contribute to this. This study relied on an established angiotensin, AngII (angiotensin II)-elevated dTGR (double-transgenic rat) model and same-background SD (Sprague–Dawley) rat controls. In dTGRs, plasma levels of AngII were increased. We determined the general retinal phenotype and observed degeneration of ganglion cells that we defined as vascular degeneration. We also inspected relevant gene expression and lastly observed alterations in the outer blood–retinal barrier. We found that both scotopic a-wave and b-wave as well as oscillatory potential amplitude were significantly decreased in dTGRs, compared with SD rat controls. However, the b/a-wave ratio remained unchanged. Fluorescence angiography of the peripheral retina indicated that exudates, or fluorescein leakage, from peripheral vessels were increased in dTGRs compared with controls. Immunohistological analysis of blood vessels in retina whole-mount preparations showed structural alterations in the retina of dTGRs. We then determined the general retinal phenotype. We observed the degeneration of ganglion cells, defined vascular degenerations and finally found differential expression of RAS-related genes and angiogenic genes. We found the expression of both human angiotensinogen and human renin in the hypertensive retina. Although the renin gene expression was not altered, the AngII levels in the retina were increased 4-fold in the dTGR retina compared with that in SD rats, a finding with mechanistic implications. We suggest that alterations in the outer blood–retinal barrier could foster an area of visual-related research based on our findings. Finally, we introduce the dTGR model of retinal disease.
Multilevel code‐shifted differential‐chaos‐shift‐keying system
Authors: Huang Tingting , Wang Lin , Xu Weikai , Lau Francis C.M.
Published: March 2016

The M‐ary differential‐chaos‐shift‐keying (M‐ary DCSK) system offers a good noise performance over an additive white Gaussian noise (AWGN) channel in the category of non‐coherent detection chaotic systems. However, the way that the M‐ary DCSK system utilises the available Walsh codes results in a relatively low bandwidth efficiency (BE). Moreover, the number of delay elements required at the transmitter and receiver increases exponentially with the number of bits per symbol. To overcome the aforementioned problems, the authors propose a multilevel code‐shifted DCSK (MCS‐DCSK) system in this study. In the proposed MCS‐DCSK system, the reference chaotic signal and the information‐bearing chaotic signals are orthogonal and are transmitted in the same time slot. They show that the MCS‐DCSK system significantly outperforms the M‐ary DCSK system in terms of BE and complexity. They also derive analytical bit‐error‐rate expressions for the MCS‐DCSK system over additive white Gaussian noise and multipath fading channels, and verify them with simulation results.
Rapid and generalised space vector modulation algorithm for cascaded multilevel converter based on zero‐order voltage constraint
Authors: Wang Cui , Zhang Yun , Tang Xiong‐min , Chen Si‐zhe
Published: March 2016

To simplify space vector modulation (SVM) algorithm, reduce zero‐order voltage, and find the shortest switching path of the switching state vectors, a rapid and generalised SVM algorithm for cascaded multilevel converter is proposed. Using coordinate transformation which leads to all basic vectors locating in the integer grids in new coordinates, the algorithm simplifies the locating of basic vectors synthesising reference vectors and also their dwell time calculation. Switching state vectors calculation based on minimum zero‐order voltage criteria reduces the workload of SVM. To find a most suitable switching path, the switching state vectors are mapped in three‐dimensional (3D) space coordinates. Switching frequency is minimal along adjacent two sides of a unit cube's surface in 3D space coordinates, which improves performance of the converter. Finally, a three‐cell seven‐level converter experimental prototype is built and tested. Simulation and experimental results are consistent with the theoretical prediction, which verifies the correctness and effectiveness of the proposed algorithm.
Wireless power transfer technology using full‐bridge current‐fed topology for medium power applications
Authors: Samanta Suvendu , Rathore Akshay Kumar
Published: March 2016

This paper studies, explores and analyses a wireless power transfer (WPT) system using current‐fed power electronics topology for electric vehicles and battery charging applications. The main contribution is analysis, design, and implementation of a current‐fed technology for WPT application. The required resonance in both the transmitter and receiver coils is parallel (L)(C) and series (LC) type, respectively. A detailed mathematical analysis and design have been reported. Stiff DC current at the input of the inverter limits the inverter switch current stress. Also, the inductor in DClink provides natural short‐circuit protection during inverter fault. It is quite important in such application. Resonant converter facilitates soft‐switching at turn‐off of the transmitter side switches. Also, soft‐commutation of rectifier diodes reduces reverse recovery loss. Mathematical analysis is verified by simulation results using PSIM 9.3. A 420 W proof‐of‐concept lab hardware prototype is developed and the experimental results are demonstrated to validate the mathematical analysis and simulation results. The maximum efficiency of DC–DC WPT stage obtained from the proof‐of‐concept lab‐prototype is close to 90% with a coefficient of coupling 18%. It is suitable for solar‐to‐vehicle and single‐phase residential slow charging.
Magnetic field design for optimal wireless power transfer to multiple receivers
Authors: Huang Xiaoyan , Gao Yuqing , Zhou Jing , Ma Jien , Zhang Jian , Fang Youtong
Published: March 2016

This study proposes a model of multiple receivers in resonant wireless power transmission. Based on the dual‐load series‐resonant wireless power transfer system, the expression of system efficiency and its calculation model is achieved using the coupled mode theory. Considering the mutual coupling between loads, the system transmission efficiency is analysed against the intrinsic decay rate and coupling coefficient by Matlab simulation. The diversity effects of introducing aluminium material are analysed by electromagnetic field analysis through JMAG. Base on the principles of the eddy current loss, the laminated aluminium structure is adopted to restore the transmission characteristics effectively. Finally, 96 kHz magnetic resonant wireless power transfer test platform is established to verify the correctness of theoretical analysis.
A penalty immersed boundary method for a rigid body in fluid
Authors: Kim Yongsam , Peskin Charles S.
Published: March 2016

We extend the penalty immersed boundary (pIB) method to the interaction between a rigid body and a surrounding fluid. The pIB method is based on the idea of splitting an immersed boundary, which here is a rigid body, notionally into two Lagrangian components: one is a massive component carrying all mass of the rigid body and the other is massless. These two components are connected by a system of stiff springs with 0 rest length. The massless component interacts with the surrounding fluid: it moves at the local fluid velocity and exerts force locally on the fluid. The massive component has no direct interaction with the surrounding fluid and behaves as though in a vacuum, following the dynamics of a rigid body, in which the acting forces and torques are generated from the system of stiff springs that connects the two Lagrangian components. We verify the pIB method by computing the drag coefficients of a cylinder and ball descending though a fluid under the influence of gravity and also by studying the interaction of two such descending cylinders and likewise the interaction of two such descending balls. The computational results are quite comparable to those in the literature. As a further example of an application, we include a freely falling maple seed with autorotation.
Global model of an iodine gridded plasma thruster
Authors: Grondein P. , Lafleur T. , Chabert P. , Aanesland A.
Published: March 2016

Most state-of-the-art electric space propulsion systems such as gridded and Hall effect thrusters use xenon as the propellant gas. However, xenon is very rare, expensive to produce, and used in a number of competing industrial applications. Alternatives to xenon are currently being investigated, and iodine has emerged as a potential candidate. Its lower cost and larger availability, its solid state at standard temperature and pressure, its low vapour pressure and its low ionization potential make it an attractive option. In this work, we compare the performances of a gridded ion thruster operating separately with iodine and xenon, under otherwise identical conditions using a global model. The thruster discharge properties such as neutral, ion, and electron densities and electron temperature are calculated, as well as the thruster performance parameters such as thrust, specific impulse, and system efficiencies. For similar operating conditions, representative of realistic thrusters, the model predicts similar thrust levels and performances for both iodine and xenon. The thruster efficiency is however slightly higher for iodine compared with xenon, due to its lower ionization potential. This demonstrates that iodine could be a viable alternative propellant for gridded plasma thrusters.
Spectrally resolved modulated infrared radiometry of photothermal, photocarrier, and photoluminescence response of CdSe crystals: Determination of optical, thermal, and electronic transport parameters
Authors: Pawlak M. , Chirtoc M. , Horny N. , Pelzl J.
Published: March 2016

Spectrally resolved modulated infrared radiometry (SR-MIRR) with super-band gap photoexcitation is introduced as a self-consistent method for semiconductor characterization (CdSe crystals grown under different conditions). Starting from a theoretical model combining the contributions of the photothermal (PT) and photocarrier (PC) signal components, an expression is derived for the thermal-to-plasma wave transition frequency ftc which is found to be wavelength-independent. The deviation of the PC component from the model at high frequency is quantitatively explained by a quasi-continuous distribution of carrier recombination lifetimes. The integral, broad frequency band (0.1 Hz–1 MHz) MIRR measurements simultaneously yielded the thermal diffusivity a, the effective IR optical absorption coefficient βeff, and the bulk carrier lifetime τc. Spectrally resolved frequency scans were conducted with interchangeable IR bandpass filters (2.2–11.3 μm) in front of the detector. The perfect spectral match of the PT and PC components is the direct experimental evidence of the key assumption in MIRR that de-exciting carriers are equivalent to blackbody (Planck) radiators. The exploitation of the β spectrum measured by MIRR allowed determining the background (equilibrium) free carrier concentration n0. At the shortest wavelength (3.3 μm), the photoluminescence (PL) component supersedes the PC one and has distinct features. The average sample temperature influences the PC component but not the PT one.
On the global solar radiation prediction methods
Authors: Ayodele T. R. , Ogunjuyigbe A. S. O. , Monyei C. G.
Published: March 2016

The availability of reasonably accurate global solar radiation data is vital for the success of any solar project. However, only a few meteorological stations around the world capture these data as a result of the high cost of measuring equipment and the lack of technical capability in calibrating them. In an attempt to resolve this challenge, engineers and researchers have developed various alternatives to generate the data. In this paper, we surveyed the methods used in generating synthetic global solar radiation with a view to classifying them and bringing out the advantages and the challenges of each. This could motivate the development of a new set of robust prediction techniques that combines the strengths of different existing models for prediction purposes. The various prediction techniques can be generally classified into four categories: the regression techniques, the artificial intelligence methods, the statistical approaches, and the satellite imagery techniques. It is shown from the review that the regression techniques are widely used for the prediction of global solar radiation because of their simplicity. However, their accuracy depends on the completeness of the meteorological data employed in predicting global solar radiation. The statistical methods are based on the assumption that data have an internal linear structure that can be identified and used for prediction purposes. However, it is observed in the literature that the techniques, especially the time series techniques, are generally not good for short time prediction as the error in the prediction of the next value in a series is usually large. Satellite imagery is desirable if surface data for location does not exist. Generally, the use of surface measurements together with a cloud index based on satellite imagery is encouraged to increase the accuracy of prediction. Artificial intelligence methods have been generally favoured for their capability to handle complex relationships between the global solar radiation and the other meteorological data, and as well provide better accuracy and efficiency. This paper is important to engineers and researchers who are interested in the global solar radiation prediction methods.
Magnetic properties of the layered III-VI diluted magnetic semiconductor Ga1−xFexTe
Authors: Pekarek T. M. , Edwards P. S. , Olejniczak T. L. , Lampropoulos C. , Miotkowski I. , Ramdas A. K.
Published: March 2016

Magnetic properties of single crystalline Ga1−xFexTe (x = 0.05) have been measured. GaTe and related layered III-VI semiconductors exhibit a rich collection of important properties for THz generation and detection. The magnetization versus field for an x = 0.05 sample deviates from the linear response seen previously in Ga1−xMnxSe and Ga1−xMnxS and reaches a maximum of 0.68 emu/g at 2 K in 7 T. The magnetization of Ga1−xFexTe saturates rapidly even at room temperature where the magnetization reaches 50% of saturation in a field of only 0.2 T. In 0.1 T at temperatures between 50 and 400 K, the magnetization drops to a roughly constant 0.22 emu/g. In 0 T, the magnetization drops to zero with no hysteresis present. The data is consistent with Van-Vleck paramagnetism combined with a pronounced crystalline anisotropy, which is similar to that observed for Ga1−xFexSe. Neither the broad thermal hysteresis observed from 100-300 K in In1−xMnxSe nor the spin-glass behavior observed around 10.9 K in Ga1−xMnxS are observed in Ga1−xFexTe. Single crystal x-ray diffraction data yield a rhombohedral space group bearing hexagonal axes, namely R3c. The unit cell dimensions were a = 5.01 Å, b = 5.01 Å, and c = 17.02 Å, with α = 90°, β = 90°, and γ = 120° giving a unit cell volume of 369 Å3.
Structural, electronic properties and enhancement of electrical polarization in Er2NiMnO6/La2NiMnO6 superlattice by first-principles calculations
Authors: Lu Haipeng , Sun Xun , Hou Zhihua , Yang Wen , Wang Siyuan , Xie Jianliang , Deng Longjiang
Published: March 2016

Employing first-principles calculations, structural, electronic properties of new multiferroic material Er2NiMnO6/La2NiMnO6 perovskite superlattice are investigated. This structure is computed as monoclinic phase with obvious distortion. The average in-plane anti-phase rotation angle, average out-of-plane in-phase rotation angle and other microscopic features are reported in this paper. Ni and Mn are found in this superlattice that stay high spin states. These microscopic properties play important roles in multiferroic properties. Based on these microscopic features, the relationship between the direction of spontaneous polarization and the order of substitution in neighboring A-O layers is explained. Finally, we try to enhance the electrical polarization magnitude by 32% by altering the previous superlattice as LaEr2NiMnO7 structure. Our results show that both repulsion force of A site rare earth ions and the arrangement of B site ions can exert influences on spontaneous polarization.
Nano silver-catalyzed chemical etching of polycrystalline silicon wafer for solar cell application
Authors: Chen S. R. , Liang Z. C. , Wang D. L.
Published: March 2016

Silver nanoparticles were deposited on the surface of polycrystalline silicon wafer via vacuum thermal evaporation and metal-catalyzed chemical etching (MCCE) was conducted in a HF-H2O2 etching system. Treatment of the etched silicon wafer with HF transformed the textured structure on the surface from nanorods into nanocones. An etching time of 30 s and treatment with HF resulted in nanocones with uniform size distribution and a reflectivity as low as 1.98% across a spectral range from 300 to 1000 nm.
Suppression of electromechanical instability in fiber-reinforced dielectric elastomers
Authors: Xiao Rui , Gou Xiaofan , Chen Wen
Published: March 2016

The electromechanical instability of dielectric elastomers has been a major challenge for the application of this class of active materials. In this work, we demonstrate that dielectric elastomers filled with soft fiber can suppress the electromechanical instability and achieve large deformation. Specifically, we developed a constitutive model to describe the dielectric and mechanical behaviors of fiber-reinforced elastomers. The model was applied to study the influence of stiffness, nonlinearity properties and the distribution of fiber on the instability of dielectric membrane under an electric field. The results show that there exists an optimal fiber distribution condition to achieve the maximum deformation before failure.
Magnetocaloric effect in high Gd content Gd-Fe-Al based amorphous/nanocrystalline systems with enhanced Curie temperature and refrigeration capacity
Authors: Zhang Linlin , Bao Mingdong , Zheng Qiang , Tian Linhai , Du Juan
Published: March 2016

The Gd-Fe-Al amorphous/nanocrystalline composites were successfully designed and obtained with both high Curie temperature (Tc) and large magnetic entropy change (ΔSM). The Tc can be tuned from 172 to 280 K and refrigeration capacity (RC) has a value between 690 and 867 J/kg under a field change of 0–5 T by changing the Gd contents and the formation of Gd nanocrystallites. And, ΔSM in Gd-Fe-Al amorphous/nanocrystalline composites reached a value of 7.2 J kg−1 K−1 under a field change of 0–5 T. The high RC in Gd-Fe-Al system were ascribed to the widening full width at half maximum (δFWHM) up to 240 K of the magnetic entropy change (ΔSMmax) peak because of the combination contribution of amorphous matrix and the precipitated Gd-riched nanocrystalline. Our research would shed light on how to design attractive candidates for magnetic refrigeration materials with high performance at near room temperature.
Determination of ultra-short laser induced damage threshold of KH2PO4 crystal: Numerical calculation and experimental verification
Authors: Cheng Jian , Chen Mingjun , Kafka Kyle , Austin Drake , Wang Jinghe , Xiao Yong , Chowdhury Enam
Published: March 2016

Rapid growth and ultra-precision machining of large-size KDP (KH2PO4) crystals with high laser damage resistance are tough challenges in the development of large laser systems. It is of high interest and practical significance to have theoretical models for scientists and manufacturers to determine the laser-induced damage threshold (LIDT) of actually prepared KDP optics. Here, we numerically and experimentally investigate the laser-induced damage on KDP crystals in ultra-short pulse laser regime. On basis of the rate equation for free electron generation, a model dedicated to predicting the LIDT is developed by considering the synergistic effect of photoionization, impact ionization and decay of electrons. Laser damage tests are performed to measure the single-pulse LIDT with several testing protocols. The testing results combined with previously reported experimental data agree well with those calculated by the model. By taking the light intensification into consideration, the model is successfully applied to quantitatively evaluate the effect of surface flaws inevitably introduced in the preparation processes on the laser damage resistance of KDP crystals. This work can not only contribute to further understanding of the laser damage mechanisms of optical materials, but also provide available models for evaluating the laser damage resistance of exquisitely prepared optical components used in high power laser systems.
A micromachined freestanding terahertz absorber with an array of metallic patches
Authors: Torun Hamdi , Sadeghzadeh Seyedehayda , Bilgin Habib , Yalcinkaya Arda D.
Published: March 2016

An array of square metallic patches on a thin suspended dielectric layer is introduced as an effective terahertz absorber. The suspended structure is placed on a metalized substrate and the device exhibits metamaterial behavior at specific frequencies determined by the size of the patches. It is feasible to place patches with different sizes in an array formation for a broadband absorber. In array configuration, individual elements induce distinct resonances yielding narrow band absorption regions. Design of the absorber is described using electromagnetic simulations. The absorber structure was fabricated on a silicon wafer using standard microfabrication techniques. The characteristics of the absorber were measured using a terahertz time domain spectroscope. The measured data match well the simulations indicating strong absorption peaks in a band of 0.5-2 THz.
On the global attractivity and asymptotic stability for autonomous systems of differential equations on the plane
Authors: Hatvani László
Published: March 2016

The autonomous system of differential equations
\[
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" alttext="x prime equals f left-parenthesis x right-parenthesis comma left-parenthesis x equals left-parenthesis x 1 comma x 2 right-parenthesis Superscript upper T Baseline element-of double-struck upper R squared comma f left-parenthesis x right-parenthesis equals left-parenthesis f 1 left-parenthesis x right-parenthesis comma f 2 left-parenthesis x right-parenthesis right-parenthesis Superscript upper T Baseline right-parenthesis comma">

x
′

=
f
(
x
)
,

(
x
=
(

x
1

,

x
2

)
T

∈

R

2

,
 
f
(
x
)
=
(

f
1

(
x
)
,

f
2

(
x
)

)
T

)
,

x’=f(x),\qquad (x=(x_1,x_2)^T\in \mathbb {R}^2,\ f(x)=(f_1(x),f_2(x))^T),

\]
is considered, and sufficient conditions are given for the global attractivity of the unique equilibrium

x
=
0

x=0

. This property means that all solutions tend to the origin as

t
→
∞

t\to \infty

. The two cases (a)

div
⁡
f
(
x
)
≤
0

\operatorname {div} f(x)\le 0

(

x
∈

R

2

x\in \mathbb {R}^2

) and (b)

div
⁡
f
(
x
)
≥
0

\operatorname {div} f(x)\ge 0

(

x
∈

R

2

x\in \mathbb {R}^2

) are treated, where
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" alttext="d i v f left-parenthesis x right-parenthesis colon equals partial-differential f 1 left-parenthesis x right-parenthesis slash partial-differential x 1 plus partial-differential f 2 left-parenthesis x right-parenthesis slash partial-differential x 2">

div
⁡
f
(
x
)
:=
∂

f
1

(
x
)

/

∂

x
1

+
∂

f
2

(
x
)

/

∂

x
2

\operatorname {div} f(x):=\partial f_1(x)/\partial x_1+\partial f_2(x)/\partial x_2

. Earlier results of N. N. Krasovskiĭ and C. Olech about case (a) are improved and generalized to case (b). Three types of assumptions are required: certain stability properties of the origin (local attractivity, stability), boundedness above in some sense for

div
⁡
f
(
x
)

\operatorname {div} f(x)

, and assumptions that

|

f
(
x
)

|

|f(x)|

is not as small as

|

x

|

→
∞

|x|\to \infty

. The conditions of the second and third types are connected with each other.
Model theory of compact complex manifolds with an automorphism
Authors: Bays Martin , Hils Martin , Moosa Rahim
Published: March 2016

Motivated by possible applications to meromorphic dynamics, and generalising known properties of difference-closed fields, this paper studies the theoryCCMA\operatorname {CCMA}of compact complex manifolds with a generic automorphism. It is shown that whileCCMA\operatorname {CCMA}does admit geometric elimination of imaginaries, it cannot eliminate imaginaries outright: a counterexample to33-uniqueness inCCM\operatorname {CCM}is exhibited. Finite-dimensional types are investigated and it is shown, following the approach of Pillay and Ziegler, that the canonical base property holds inCCMA\operatorname {CCMA}. As a consequence the Zilber dichotomy is deduced: finite-dimensional minimal types are either one-based or almost internal to the fixed field. In addition, a general criterion for stable embeddedness inTATA(when it exists) is established, and used to determine the full induced structure ofCCMA\operatorname {CCMA}on projective varieties, simple nonalgebraic complex tori, and simply connected nonalgebraic strongly minimal manifolds.
HLaffy: estimating peptide affinities for Class-1 HLA molecules by learning position-specific pair potentials
Authors: Mukherjee Sumanta , Bhattacharyya Chiranjib , Chandra Nagasuma
Published: March 2016

Motivation: T-cell epitopes serve as molecular keys to initiate adaptive immune responses. Identification of T-cell epitopes is also a key step in rational vaccine design. Most available methods are driven by informatics and are critically dependent on experimentally obtained training data. Analysis of a training set from Immune Epitope Database (IEDB) for several alleles indicates that the sampling of the peptide space is extremely sparse covering a tiny fraction of the possible nonamer space, and also heavily skewed, thus restricting the range of epitope prediction.

Results: We present a new epitope prediction method that has four distinct computational modules: (i) structural modelling, estimating statistical pair-potentials and constraint derivation, (ii) implicit modelling and interaction profiling, (iii) feature representation and binding affinity prediction and (iv) use of graphical models to extract peptide sequence signatures to predict epitopes for HLA class I alleles.

Conclusions: HLaffy is a novel and efficient epitope prediction method that predicts epitopes for any Class-1 HLA allele, by estimating the binding strengths of peptide-HLA complexes which is achieved through learning pair-potentials important for peptide binding. It relies on the strength of the mechanistic understanding of peptide-HLA recognition and provides an estimate of the total ligand space for each allele. The performance of HLaffy is seen to be superior to the currently available methods.

Availability and implementation: The method is made accessible through a webserver http://proline.biochem.iisc.ernet.in/HLaffy.

Contact: nchandra@biochem.iisc.ernet.in

Supplementary information:  Supplementary data are available at Bioinformatics online.
A network-based drug repositioning infrastructure for precision cancer medicine through targeting significantly mutated genes in the human cancer genomes
Authors: Cheng Feixiong , Zhao Junfei , Fooksa Michaela , Zhao Zhongming
Published: March 2016

Objective Development of computational approaches and tools to effectively integrate multidomain data is urgently needed for the development of newly targeted cancer therapeutics.

Methods We proposed an integrative network-based infrastructure to identify new druggable targets and anticancer indications for existing drugs through targeting significantly mutated genes (SMGs) discovered in the human cancer genomes. The underlying assumption is that a drug would have a high potential for anticancer indication if its up-/down-regulated genes from the Connectivity Map tended to be SMGs or their neighbors in the human protein interaction network.

Results We assembled and curated 693 SMGs in 29 cancer types and found 121 proteins currently targeted by known anticancer or noncancer (repurposed) drugs. We found that the approved or experimental cancer drugs could potentially target these SMGs in 33.3% of the mutated cancer samples, and this number increased to 68.0% by drug repositioning through surveying exome-sequencing data in approximately 5000 normal-tumor pairs from The Cancer Genome Atlas. Furthermore, we identified 284 potential new indications connecting 28 cancer types and 48 existing drugs (adjusted P < .05), with a 66.7% success rate validated by literature data. Several existing drugs (e.g., niclosamide, valproic acid, captopril, and resveratrol) were predicted to have potential indications for multiple cancer types. Finally, we used integrative analysis to showcase a potential mechanism-of-action for resveratrol in breast and lung cancer treatment whereby it targets several SMGs (ARNTL, ASPM, CTTN, EIF4G1, FOXP1, and STIP1).

Conclusions In summary, we demonstrated that our integrative network-based infrastructure is a promising strategy to identify potential druggable targets and uncover new indications for existing drugs to speed up molecularly targeted cancer therapeutics.