bluuebunny/crossref_metadata_2025 huggingface dataset:
Origin of fast ion diffusion in super-ionic conductors
Authors: He Xingfeng , Zhu Yizhou , Mo Yifei
Published: June 2017

Super-ionic conductor materials have great potential to enable novel technologies in energy storage and conversion. However, it is not yet understood why only a few materials can deliver exceptionally higher ionic conductivity than typical solids or how one can design fast ion conductors following simple principles. Using ab initio modelling, here we show that fast diffusion in super-ionic conductors does not occur through isolated ion hopping as is typical in solids, but instead proceeds through concerted migrations of multiple ions with low energy barriers. Furthermore, we elucidate that the low energy barriers of the concerted ionic diffusion are a result of unique mobile ion configurations and strong mobile ion interactions in super-ionic conductors. Our results provide a general framework and universal strategy to design solid materials with fast ionic diffusion.
Growth of organic crystals via attachment and transformation of nanoscopic precursors
Authors: Jiang Yuan , Kellermeier Matthias , Gebauer Denis , Lu Zihao , Rosenberg Rose , Moise Adrian , Przybylski Michael , Cölfen Helmut
Published: June 2017

A key requirement for the understanding of crystal growth is to detect how new layers form and grow at the nanoscale. Multistage crystallization pathways involving liquid-like, amorphous or metastable crystalline precursors have been predicted by theoretical work and have been observed experimentally. Nevertheless, there is no clear evidence that any of these precursors can also be relevant for the growth of crystals of organic compounds. Herein, we present a new growth mode for crystals of DL-glutamic acid monohydrate that proceeds through the attachment of preformed nanoscopic species from solution, their subsequent decrease in height at the surface and final transformation into crystalline 2D nuclei that eventually build new molecular layers by further monomer incorporation. This alternative mechanism provides a direct proof for the existence of multistage pathways in the crystallization of molecular compounds and the relevance of precursor units larger than the monomeric constituents in the actual stage of growth.
Analysis of the grape (Vitis vinifera L.) thaumatin-like protein (TLP) gene family and demonstration that TLP29 contributes to disease resistance
Authors: Yan Xiaoxiao , Qiao Hengbo , Zhang Xiuming , Guo Chunlei , Wang Mengnan , Wang Yuejin , Wang Xiping
Published: June 2017

Thaumatin-like protein (TLP) is present as a large family in plants, and individual members play different roles in various responses to biotic and abiotic stresses. Here we studied the role of 33 putative grape (Vitis vinifera L.) TLP genes (VvTLP) in grape disease resistance. Heat maps analysis compared the expression profiles of 33 genes in disease resistant and susceptible grape species infected with anthracnose (Elsinoe ampelina), powdery mildew (Erysiphe necator) or Botrytis cinerea. Among these 33 genes, the expression level of TLP29 increased following the three pathogens inoculations, and its homolog from the disease resistant Chinese wild grape V. quinquangularis cv. ‘Shang-24’, was focused for functional studies. Over-expression of TLP29 from grape ‘Shang-24’ (VqTLP29) in Arabidopsis thaliana enhanced its resistance to powdery mildew and the bacterium Pseudomonas syringae pv. tomato DC3000, but decreased resistance to B. cinerea. Moreover, the stomatal closure immunity response to pathogen associated molecular patterns was strengthened in the transgenic lines. A comparison of the expression profiles of various resistance-related genes after infection with different pathogens indicated that VqTLP29 may be involved in the salicylic acid and jasmonic acid/ethylene signaling pathways.
Downregulated USP3 mRNA functions as a competitive endogenous RNA of SMAD4 by sponging miR-224 and promotes metastasis in colorectal cancer
Authors: Wang Zaozao , Yang Jie , Di Jiabo , Cui Ming , Xing Jiadi , Wu Fan , Wu Wei , Yang Hong , Zhang Chenghai , Yao Zhendan , Zhang Nan , Jiang Beihai , Su Xiangqian
Published: June 2017

Increasing evidence shows that competitive endogenous RNAs (ceRNAs) can affect the expression of other transcripts by sequestering common microRNAs (miRNAs), and participate in tumourigenesis. As a potent tumour suppressor in colorectal cancer (CRC), SMAD4 is regulated by many miRNAs. However, the regulation of SMAD4 by ceRNAs has never been examined. In the present study, we found that USP3 modulated SMAD4 expression in a miRNA dependent, and protein-coding gene independent manner. USP3 and SMAD4 were directly targeted by miR-224, and overexpression of the USP3 3′UTR could inhibit metastasis caused by the loss of USP3. The correlation of USP3, SMAD4 and miR-224 expression was further verified in CRC specimens. Additionally, the loss of USP3 was associated with distal metastasis and a poor prognosis. Altogether, our study demonstrates USP3 as a bona fide SMAD4 ceRNA. The results from this study may provide new insights into the prevention and treatment of CRC.
Communicative knowledge pervasively influences sensorimotor computations
Authors: Murillo Oosterwijk Anke , de Boer Miriam , Stolk Arjen , Hartmann Frank , Toni Ivan , Verhagen Lennart
Published: June 2017

Referential pointing is a characteristically human behavior, which involves moving a finger through space to direct an addressee towards a desired mental state. Planning this type of action requires an interface between sensorimotor and conceptual abilities. A simple interface could supplement spatially-guided motor routines with communicative-ostensive cues. For instance, a pointing finger held still for an extended period of time could aid the addressee’s understanding, without altering the movement’s trajectory. A more complex interface would entail communicative knowledge penetrating the sensorimotor system and directly affecting pointing trajectories. We compare these two possibilities using motion analyses of referential pointing during multi-agent interactions. We observed that communicators produced ostensive cues that were sensitive to the communicative context. Crucially, we also observed pervasive adaptations to the pointing trajectories: they were tailored to the communicative context and to partner-specific information. These findings indicate that human referential pointing is planned and controlled on the basis of partner-specific knowledge, over and above the tagging of motor routines with ostensive cues.
The angular nature of road networks
Authors: Molinero Carlos , Murcio Roberto , Arcaute Elsa
Published: June 2017

Road networks are characterised by several structural and geometrical properties. The topological structure determines partially the hierarchical arrangement of roads, but since these are networks that are spatially constrained, geometrical properties play a fundamental role in determining the network’s behaviour, characterising the influence of each of the street segments on the system. In this work, we apply percolation theory to the UK’s road network using the relative angle between street segments as the occupation probability. The appearance of the spanning cluster is marked by a phase transition, indicating that the system behaves in a critical way. Computing Shannon’s entropy of the cluster sizes, different stages of the percolation process can be discerned, and these indicate that roads integrate to the giant cluster in a hierarchical manner. This is used to construct a hierarchical index that serves to classify roads in terms of their importance. The obtained classification is in very good correspondence with the official designations of roads. This methodology hence provides a framework to consistently extract the main skeleton of an urban system and to further classify each road in terms of its hierarchical importance within the system.
Novel small peptides derived from VEGF125-136: potential drugs for radioactive diagnosis and therapy in A549 tumor-bearing nude mice
Authors: Zhang Xiang , Feng Shibin , Liu Jie , Li Qianwei , Zheng Lei , Xie Laiping , Li Hongmin , Huang Dingde
Published: June 2017

Vascular endothelial growth factor receptor (VEGFR) is a critical factor in tumor angiogenesis and has been considered a potential target for receptor-mediated radionuclide imaging and therapy. In this study, we identified two peptides (QKRKRKKSRKKH and RKRKRKKSRYIVLS) derived from VEGF125-136 that displayed high binding affinities to VEGFR and strong inhibition of A549 cell growth. 99mTc- and 188Re-labeled peptides displayed high labeling efficiency and favorable stability in saline and human plasma. At the cellular level, the radiolabeled peptides could bind with A549 cells and be internalized via the VEGFR-1-mediated pathway. 99mTc/188Re-labeled peptide was significantly accumulated at xenograft tumors, as observed with single-photon emission computed tomography (SPECT) planar imaging. Moreover, 188Re-labeled peptides significantly inhibited tumor growth, prolonged the survival time of the tumor-bearing nude mice and resulted in much more necrotic regions and apoptotic cells in the A549 xenograft tumors. These results demonstrated that these two peptides as candidate drugs for radionuclide imaging and tumor therapy.
Chronic Sleep Restriction Increases Negative Implicit Attitudes Toward Arab Muslims
Authors: Alkozei Anna , Killgore William D. S. , Smith Ryan , Dailey Natalie S. , Bajaj Sahil , Haack Monika
Published: June 2017

Chronic sleep restriction is a common experience; and while it has negative physiological effects, little is known about how it affects human behavior. To date, no study has investigated whether chronic sleep restriction can influence implicit attitudes (e.g., towards a race). Here, in a randomized, counterbalanced crossover design, we subjected participants to 3 weeks of chronic sleep restriction in the lab (i.e., 3 weekly cycles of 5 nights of 4 hours of sleep per night followed by 2 nights of 8 hours of sleep) and found evidence for an increased negative implicit bias towards Arab Muslims. No indicators of an implicit bias were found in these same individuals when they were rested (during a counterbalanced 3-week period of 8 hours time in bed per night). These findings suggest that chronic sleep restriction may “unmask” implicit racial or ethnic biases that are otherwise inhibited when in a rested state. Because chronic sleep restriction is prevalent among many occupations that routinely interact with ethnic minorities in potentially high-conflict situations (e.g., police officers), it is critical to consider the role that restricted sleep may play in exacerbating negative implicit attitudes and their potential for provoking unintentional and potentially harmful behavioral consequences.
Disruption of the monocarboxylate transporter-4-basigin interaction inhibits the hypoxic response, proliferation, and tumor progression
Authors: Voss Dillon M. , Spina Raffaella , Carter David L. , Lim Kah Suan , Jeffery Constance J. , Bar Eli E.
Published: June 2017

We have previously shown that glioblastoma stem cells (GSCs) are enriched in the hypoxic tumor microenvironment, and that monocarboxylate transporter-4 (MCT4) is critical for mediating GSC signaling in hypoxia. Basigin is involved in many physiological functions during early stages of development and in cancer and is required for functional plasma membrane expression of MCT4. We sought to determine if disruption of the MCT-Basigin interaction may be achieved with a small molecule. Using a cell-based drug-screening assay, we identified Acriflavine (ACF), a small molecule that inhibits the binding between Basigin and MCT4. Surface plasmon resonance and cellular thermal-shift-assays confirmed ACF binding to basigin in vitro and in live glioblastoma cells, respectively. ACF significantly inhibited growth and self-renewal potential of several glioblastoma neurosphere lines in vitro, and this activity was further augmented by hypoxia. Finally, treatment of mice bearing GSC-derived xenografts resulted in significant inhibition of tumor progression in early and late-stage disease. ACF treatment inhibited intratumoral expression of VEGF and tumor vascularization. Our work serves as a proof-of-concept as it shows, for the first time, that disruption of MCT binding to their chaperon, Basigin, may be an effective approach to target GSC and to inhibit angiogenesis and tumor progression.
Magnetic field enhancement of organic photovoltaic cells performance
Authors: Oviedo-Casado S. , Urbina A. , Prior J.
Published: June 2017

Charge separation is a critical process for achieving high efficiencies in organic photovoltaic cells. The initial tightly bound excitonic electron-hole pair has to dissociate fast enough in order to avoid photocurrent generation and thus power conversion efficiency loss via geminate recombination. Such process takes place assisted by transitional states that lie between the initial exciton and the free charge state. Due to spin conservation rules these intermediate charge transfer states typically have singlet character. Here we propose a donor-acceptor model for a generic organic photovoltaic cell in which the process of charge separation is modulated by a magnetic field which tunes the energy levels. The impact of a magnetic field is to intensify the generation of charge transfer states with triplet character via inter-system crossing. As the ground state of the system has singlet character, triplet states are recombination-protected, thus leading to a higher probability of successful charge separation. Using the open quantum systems formalism we demonstrate that the population of triplet charge transfer states grows in the presence of a magnetic field, and discuss the impact on carrier population and hence photocurrent, highlighting its potential as a tool for research on charge transfer kinetics in this complex systems.
Calibration of the mobility scale in ion mobility spectrometry: the use of 2,4-lutidine as a chemical standard, the two-standard calibration method and the incorrect use of drift tube temperature for calibration
Authors: Fernández Maestre Roberto
Published: June 2017

2,4-Lutidine is not a good IMS chemical standard because its K0 depends on temperature and moisture. Drift gas instead of drift tube temperature should be used to calculate K0.
A novel one-step colorimetric assay for highly sensitive detection of glucose in serum based on MnO2 nanosheets
Authors: Huang Zhongming , Yang Jie , Zhang Lin , Geng Xin , Ge Jia , Hu Yalei , Li Zhaohui
Published: June 2017

A label-free and sensitive method for glucose detection is proposed based on the color change of MnO2 nanosheet colloidal suspension.
Efficient conversion of N6-threonylcarbamoyladenosine (t6A) into a tRNA native hydantoin cyclic form (ct6A) performed at nucleoside and oligoribonucleotide levels
Authors: Matuszewski Michal , Debiec Katarzyna , Sochacka Elzbieta
Published: June 2017

Efficient preparation of ct6A-tRNA fragments of a sequence of native anticodon arms:S. pombetRNAi(single ct6A modification) andE. colitRNALyscontaining mnm5s2U, ψ and ct6A modifications.
Asymmetric radical alkylation of N-sulfinimines under visible light photocatalytic conditions
Authors: Garrido-Castro Alberto F. , Choubane Houcine , Daaou Mortada , Maestro M. Carmen , Alemán José
Published: June 2017

In this communication, a new photocatalytic strategy for the addition of alkyl-radical derivatives to N-sulfinimines with complete diastereoselectivity and moderate to good yields is presented.
Niobate nanosheet membranes with enhanced stability for nanofiltration
Authors: Nakagawa K. , Yamashita H. , Saeki D. , Yoshioka T. , Shintani T. , Kamio E. , Kreissl H. T. , Tsang S. C. E. , Sugiyama S. , Matsuyama H.
Published: June 2017

Niobate nanosheets are assembled into thin membranes by a vacuum filtration.
Semithiobambus[6]uril is a transmembrane anion transporter
Authors: Lang Chao , Mohite Amar , Deng Xiaoli , Yang Feihu , Dong Zeyuan , Xu Jiayun , Liu Junqiu , Keinan Ehud , Reany Ofer
Published: June 2017

Bambus[6]uril analogs are excellent anion binders but only the sulfur analog is also an effective anion transporter capable of polarizing lipid membranes through selective anion uniport.
Computing distance distributions from dipolar evolution data with overtones: RIDME spectroscopy with Gd(iii)-based spin labels
Authors: Keller Katharina , Mertens Valerie , Qi Mian , Nalepa Anna I. , Godt Adelheid , Savitsky Anton , Jeschke Gunnar , Yulikov Maxim
Published: June 2017

Extraction of distance distributions between high-spin paramagnetic centers from relaxation induced dipolar modulation enhancement (RIDME) data is affected by the presence of overtones of dipolar frequencies.
Combining random walk and regression models to understand solvation in multi-component solvent systems
Authors: Gale Ella M. , Johns Marcus A. , Wirawan Remigius H. , Scott Janet L.
Published: June 2017

Solvation is limited by the frustration between solvent shells and controlled by available volume, therefore co-solvent molar volume is critical.
Multi-spectroscopic and theoretical analyses on the diphenyl ether–tert-butyl alcohol complex in the electronic ground and electronically excited state
Authors: Bernhard Dominic , Dietrich Fabian , Fatima Mariyam , Perez Cristobal , Poblotzki Anja , Jansen Georg , Suhm Martin A. , Schnell Melanie , Gerhards Markus
Published: June 2017

Multi-spectroscopic and theoretical investigations on the isolated diphenyl ether–tert-butyl alcohol complex – an ideal benchmark system for theory with strongly competing OH–O and OH–π binding motifs.
Catalytic oxidation of nitric oxide (NO) over different catalysts: an overview
Authors: Hong Zhe , Wang Zhong , Li Xuebing
Published: June 2017

Nitrogen oxides (mainly NO) are one of the major air pollutants that lead to a number of environmental problems such as photochemical smog, acid rain and haze.
Efficiently mapping structure–property relationships of gas adsorption in porous materials: application to Xe adsorption
Authors: Kaija A. R. , Wilmer C. E.
Published: June 2017

Designing better porous materials for gas storage or separations applications frequently leverages known structure–property relationships. Reliable structure–property relationships, however, only reveal themselves when adsorption data on many porous materials are aggregated and compared. Gathering enough data experimentally is prohibitively time consuming, and even approaches based on large-scale computer simulations face challenges. Brute force computational screening approaches that do not efficiently sample the space of porous materials may be ineffective when the number of possible materials is too large. Here we describe a general and efficient computational method for mapping structure–property spaces of porous materials that can be useful for adsorption related applications. We describe an algorithm that generates random porous “pseudomaterials”, for which we calculate structural characteristics (e.g., surface area, pore size and void fraction) and also gas adsorption properties via molecular simulations. Here we chose to focus on void fraction and Xe adsorption at 1 bar, 5 bar, and 10 bar. The algorithm then identifies pseudomaterials with rare combinations of void fraction and Xe adsorption and mutates them to generate new pseudomaterials, thereby selectively adding data only to those parts of the structure–property map that are the least explored. Use of this method can help guide the design of new porous materials for gas storage and separations applications in the future.
Novel routes to electromagnetic enhancement and its characterisation in surface- and tip-enhanced Raman scattering
Authors: Dawson P. , Frey D. , Kalathingal V. , Mehfuz R. , Mitra J.
Published: June 2017

Quantitative understanding of the electromagnetic component in enhanced Raman spectroscopy is often difficult to achieve on account of the complex substrate structures utilised. We therefore turn to two structurally simple systems amenable to detailed modelling. The first is tip-enhanced Raman scattering under electron scanning tunnelling microscopy control (STM-TERS) where, appealing to understanding developed in the context of photon emission from STM, it is argued that the localised surface plasmon modes driving the Raman enhancement exist in the visible and near-infrared regime only by virtue of significant modification to the optical properties of the tip and sample metals (gold here). This is due to the strong dc field-induced (∼109V m−1) non-linear corrections to the dielectric function of goldviathe third order susceptibility term in the polarisation. Also, sub-5 nm spatial resolution is shown in the modelling. Secondly, we suggest a novel deployment of hybrid plasmonic waveguide modes in surface enhanced Raman scattering (HPWG-SERS). This delivers strong confinement of electromagnetic energy in a ∼10 nm oxide ‘gap’ between a high-index dielectric material of nanoscale width (a GaAs nanorod and a 100 nm Si slab are considered here) and a metal, yielding a monotonic variation in the Raman enhancement factor as a function of wavelength with no long-wavelength cut-off, both features that contrast with STM-TERS.
Upregulation of heme oxygenase-1 mediates the anti-inflammatory activity of casein glycomacropeptide (GMP) hydrolysates in LPS-stimulated macrophages
Authors: Li Tiange , Cheng Xue , Du Min , Chen Bin , Mao Xueying
Published: June 2017

Recently, we have shown that casein glycomacropeptide hydrolysates (GHP) exhibit both anti-inflammatory and anti-oxidative activities in vitro.
Photoelectrochemical ion concentration polarization: membraneless ion filtration based on light-driven electrochemical reactions
Authors: Yoon Eunsoo , Davies Collin D. , Hooper Tim A. , Crooks Richard M.
Published: June 2017

A membrane-free photoelectrochemical device is able to partially desalinate water.
Application of a strain rate gradient microfluidic device to von Willebrand's disease screening
Authors: Brazilek Rose J. , Tovar-Lopez Francisco J. , Wong Angus K. T. , Tran Huyen , Davis Amanda S. , McFadyen James D. , Kaplan Zane , Chunilal Sanjeev , Jackson Shaun P. , Nandurkar Harshal , Mitchell Arnan , Nesbitt Warwick S.
Published: June 2017

We present the development of a strain rate gradient microfluidic device and apply it to the screening of von Willebrand's disease.
Understanding the behavior of caffeine on a boron-doped diamond surface: voltammetric, DFT, QTAIM and ELF studies
Authors: Rick Lopes da Silva Ámison , Medeiros de Araújo Danyelle , Bernardo Sabino da Silva Evanimek , Serradella Vieira Davi , de Kássio Vieira Monteiro Norberto , Martínez-Huitle Carlos Alberto
Published: June 2017

A cyclic and differential pulse voltammetry analysis by using a boron doped diamond electrode to understand the behavior of caffeine on its surface was carried out.
Photosensitized oxidation of 2′-deoxyguanosine 5′-monophosphate: mechanism of the competitive reactions and product characterization
Authors: Serrano Mariana P. , Estébanez Sandra , Vignoni Mariana , Lorente Carolina , Vicendo Patricia , Oliveros Esther , Thomas Andrés H.
Published: June 2017

We have identified five products containing oxidized guanine and another product containing an intact guanine moiety and a modified one.
Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine with platinum(ii) ions
Authors: Łakomska Iwona , Babinska Magdalena , Wojtczak Andrzej , Kozakiewicz Anna , Sitkowski Jerzy , Jarzęcki Andrzej A.
Published: June 2017

Dichlorido platinum(ii) complexes with 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine (ibmtp) were synthesized and characterized by various tools: IR, 1H, 13C, 15N, 195Pt NMR and DFT calculations.
Synthesis of novel profluorescent nitroxides as dual luminescent-paramagnetic active probes
Authors: Coman Anca G. , Paraschivescu Codruta C. , Paun Anca , Diac Andreea , Hădade Niculina D. , Jouffret Laurent , Gautier Arnaud , Matache Mihaela , Ionita Petre
Published: June 2017

Profluorescent nitroxides containing 2,5-diaryl-1,3,4-oxadiazoles as fluorophore units were synthesized and characterized as actively responsive probes to reducing agents.
Novel thiohydantoin analogues bearing the 1-hydroxyl-2,2,2-trifluoro-1-ethyl moiety as androgen receptor inhibitors for the potential treatment of castration resistant prostate cancer
Authors: Wang Yingwei , Deng Yufang , Pang Xuehai , Yu Jiang , Fan Lei , Chen Yuanwei , Zhao Lifeng
Published: June 2017

Enzalutamide (ENT) is an approved drug for the treatment of castration resistant prostate cancer (CRPC).
Adsorption behavior of the copolymer AM/DMC/APEG/DMAAC-16 on a carbonate rock and its application for acidizing
Authors: Quan Hongping , Chen Zhonghao , Wu Yang , Li Zhuoke
Published: June 2017

The adsorption mechanism and adsorption behavior of a quadripolymer on the carbonate rock was researched.
Efficient organic–inorganic intumescent interfacial flame retardants to prepare flame retarded polypropylene with excellent performance
Authors: Qi Fei , Tang Mengqi , Wang Na , Liu Nian , Chen Xiaolang , Zhang Zhibin , Zhang Kun , Lu Xiong
Published: June 2017

An efficient and simple approach for the preparation of organic–inorganic intumescent interfacial flame retardants, aiming at enhancing the flame-retardant efficiency and interfacial adhesion between matrix and flame retardants was presented.
High-performance flexible quasi-solid-state Zn–MnO2 battery based on MnO2 nanorod arrays coated 3D porous nitrogen-doped carbon cloth
Authors: Qiu Wenda , Li Yu , You Ao , Zhang Zemin , Li Guangfu , Lu Xihong , Tong Yexiang
Published: June 2017

Aqueous Zn–MnO2 batteries have great potential as flexible energy storage devices owing to their low cost, high energy density, safety, and environmental friendliness.
Effects of microRNA-146a on the proliferation and apoptosis of human osteochondrocytes by targeting TRAF6 through the NF- κB signalling pathway
Authors: West Camilla , McDermott Michael F.
Published: June 2017

MicroRNAs are important cellular mediators of mRNA degradation and translation repression, which in turn can have an impact on various processes and, if their function is perturbed, can cause disease. Here, we summarize the recent manuscript by Zhong et al. [(2017) Biosci. Rep. 37, BSR20160578], which explores microRNA-146a and how it may play an indirect yet vital role in the proliferation of osteoarthritis (OA) chondrocytes. The data presented by the authors could have important implications for future OA therapies.
Fast auditory evoked potential extraction with real‐time singular spectrum analysis
Authors: Byun W. , Ku Y. , Kim J.‐H. , Kim H.C.
Published: June 2017

The fast and real‐time extraction of precise auditory evoked potential (AEP) is important for the diagnosis of auditory diseases as well as for the brain–computer interface. For fast AEP extraction, the effect of various noises such as motion artefact, eye blink, or power line noise should be minimised in the AEP recording. The existing fast AEP extraction methods that use the Kalman filter or wavelet transform have limitations owing to parametric arbitrariness. In this study, the singular spectrum analysis (SSA) in the time domain was adopted and optimised for AEP extraction with various types of noises. Moreover, the hardware architecture for an optimised SSA was implemented in an FPGA to realise real‐time operation. The results show that the optimised SSA method can reduce the stimulus repetition by 61.2% compared with the conventional ensemble averaging and obtain the maximum similarity to the original AEP signal of 83.2%. The designed hardware is favourable for wearable BCI applications in terms of hardware complexity and required clock frequency.
Variable speed drive with PFC front‐end for three‐phase induction motor
Authors: Gonzalez‐Ramirez M. , Cruz‐Villar C.A.
Published: June 2017

A variable frequency drive for an induction motor is proposed. The drive uses a power factor (PF) correction bridgeless single‐ended primary inductor converter‐controlled rectifier operating in discontinuous inductor current mode as a front‐end in order to improve the input power quality and a variation of the constant volts per hertz controller, with feedback to regulate the velocity of the motor shaft. The frequency slip is measured and compensated, since the input stage. Experiments with and without load are carried out and presented. Input power quality measurements are also presented. The proposed system is effective to regulate the velocity and achieving a close to unity PF.
Relay selection‐based hybrid satellite‐terrestrial communication systems
Authors: Arti M.K. , Jain Varun
Published: June 2017

The problem of relay selection in amplify‐and‐forward (AF)‐based hybrid satellite‐terrestrial cooperative communication systems is considered. A partial relay selection scheme is studied in which satellite selects a relay earth station (ES) among multiple relay ESs (situated on ground) on the basis of maximum instantaneous signal‐to‐noise ratio (SNR). Satellite‐relay ESs are assumed to follow Shadowed‐Rician fading, whereas relay ESs‐destination ES links (terrestrial links) are assumed to follow Nakagami‐m distribution. First, the cumulative distribution function and probability density function (PDF) of the maximum instantaneous SNR of satellite‐relay ESs links are derived; then by using this PDF, the expression of moment generating function (MGF) of the received instantaneous SNR at destination ES is obtained. The average error performance of the considered system with the proposed relay ES selection is derived in terms of Meijer‐G functions by using MGF approach. In order to get the diversity order of the relay ES selection‐based AF scheme, the asymptotic PDF of the considered scheme is derived, and then by using this asymptotic PDF, the analytical diversity order of the system is obtained. It is demonstrated by the analysis and simulation that the performance of the AF‐based hybrid satellite‐terrestrial communication systems can be significantly improved by deploying more relay ES at the ground in between satellite and destination ES.
Generalised differential scheme for spatial modulation systems
Authors: Kadathlal Kavish , Xu HongJun , Pillay Narushan
Published: June 2017

Spatial modulation (SM) is an efficient transmission scheme based on multiple‐input multiple‐output systems. SM, by nature, requires coherent detection to achieve optimal error performance. This requires that the receiver has full knowledge of the channel state information (CSI), however, determining the CSI results in an increase in the detection complexity at the receiver. Differential modulation systems are capable of performing detection without knowledge of the CSI at the receiver, however, they suffer a 3 dB error performance penalty as compared to their coherent counterparts. In this study, the authors present a generalised differential scheme for SM (GD‐SM) based on generalised differential modulation, which is capable of reducing the performance penalty incurred through optimal power allocation. Furthermore, they extend the architecture of GD‐SM and optimal power allocation to conventional differential SM. The architecture of the proposed systems, advantageously permits the use of either M‐ary quadrature amplitude modulation or M‐ary phase shift keying constellations. Simulation and theoretical results demonstrate that GD‐SM incurs only about 0.5 dB performance loss as compared to coherent SM when the frame length is 400.
Efficient maximum power point tracking using model predictive control for photovoltaic systems under dynamic weather condition
Authors: Mosa Mostafa , Shadmand Mohammad B. , Balog Robert S. , Abu Rub Haitham
Published: June 2017

This study presents a high‐efficient maximum power point tracking (MPPT) of photovoltaic (PV) systems by means of model‐predictive control (MPC) techniques that is applied to a high‐gain DC–DC converter. The high variability and stochastic nature of solar energy requires that the MPPT control continuously adjust the power converter operating point in order to track the changing maximum power point; a concept well known in the literature. The main contribution of this study is a model‐predictive‐based controller with a fixed step that is combined with the traditional incremental conductance (INC) method. This technique improves the speed at which the controller can track rapid changes in solar insolation and results in an increase in the overall efficiency of the PV system. The controller speeds up convergence since MPC predicts error before the switching signal is applied to the high‐gain multilevel DC–DC converter and thus is able to choose the next switch event to minimise error between the commanded and actual converter operation. Comparing the proposed technique to the conventional INC method shows substantial improvement in MPPT effectiveness and PV system performance. The performance of the proposed MPC‐MPPT is analysed and validated experimentally.
Preparation of Peptide o-Aminoanilides Using a Modified Dawson's Linker for Microwave-Assisted Peptide Synthesis
Authors: Tsuda Shugo , Yoshiya Taku , Uemura Tsuyoshi , Mochizuki Masayoshi , Nishio Hideki
Published: June 2017

Based on the structure of Dawson’s 3,4-diaminobenzoic acid (Dbz) linker designed for Fmoc solid-phase peptide-thioester synthesis, the 4-amino-3-nitrobenzoic acid [Dbz(NO2)] linker was developed for microwave-assisted synthesis. The Dbz(NO2) linker can be readily converted into the Dbz linker by on-resin reduction with SnCl2 after construction of the protected peptide resin. Although epimerization of C-terminal amino acid restricts the use of Dbz(NO2) linker to the synthesis of peptide-Gly-thioester, use of this linker can prevent side reactions that arise when Dbz or Dbz(Aloc) linkers are used in the microwave-assisted synthesis of Gly-rich peptides.
Direct ortho Arylation of Anisoles via the Formation of Four-Membered Lithiumcycles/Palladacycles
Authors: Huang Jianhui , Xiong Xiaoyu , Zhu Ranran , Huang Lin , Chang Shuqin
Published: June 2017

We report here our latest discovery on the directed lithiation and palladium-catalyzed arylation of anisoles. During this research, the formation of a four-membered lithiumcycle followed by transmetalation to the corresponding palladacycle has been achieved, which is difficult to be obtained from palladium-catalyzed C–H activation processes. This approach has provided an alternative way of introducing functionalities to arenes such as anisoles, thioanisoles, and anilines. This approach also features an excellent monoselectivity compared with reactions under transition-metal-catalyzed conditions.
Room-Temperature, Water-Promoted, Radical-Coupling Reactions of Phenols with tert-Butyl Nitrite
Authors: Wei Wen-Ting , Liang Hongze , Zhu Wen-Ming , Liang Weida , Wu Yi , Huang Hui-Yan , Huang Yi-Ling , Luo Junfei
Published: June 2017

A radical–radical cross-coupling reaction of phenols with tert-butyl nitrite has been developed with the use of water as an additive. This method allows the construction of C–N bonds under an air atmosphere at room temperature, providing the ortho-nitrated phenol derivative in moderate to good yields.
Eine Familie und ihre Krankheit - Erscheinungsform der Sykose
Authors: Kempel A.Kammrad
Published: June 2017

An Hand der Krankengeschichten einer Familie mit 5 Kindern werden verschiedene Erscheinungsformen der Sykose dargestellt sowie die Heilungsmöglichkeiten dieser chronischen Belastung durch fieberhafte Erkrankungen und durch Homöotherapie mit Medorrhinum, Thuja, Dulcamara, Sulfur und Lachesis. Die eugenische Kur konnte in diesem Falle die weitere Ausbreitung der Sykose verhindern.
Der interessante Fall: CREST-Syndrom bei Sklerodermie
Authors: Müller H.V.
Published: June 2017

Diese an einer Sklerodermie mit CREST-Syndrom leidende Patientin wurde zum erstenmal mit einer Gabe von Iris versicolor D 30 günstig beeinflußt. Die Krankheit, die schon seit etwa 15 Jahren bestand und sich ständig verschlimmerte, gilt als unheilbar und soll unbeeinflußbar zum Tod führen. Die weitere Verabreichung von Iris versicolor M und von Iris foetidissima M führte zur weiteren Besserung. Die Patientin erhielt als letzte Gabe Iris germanica M und suchte mich in einem so guten Zustand auf, daß ihre Krankheit als ausgeheilt betrachtet werden kann.
The magnetic properties of C-Ni carbon-metal complexes
Authors: Chabachenko V. V. , Zubov E. E. , Nabialek A. , Kochkanjan R. O. , Escudero R. , Morales F. , Pérez-Rodríguez F. , Zolotar S. , Puźniak R.
Published: June 2017

A new method of graphite metallization by clusters of metallic atoms is used to produce carbon-metal C-Ni nanocomplexes. Measurements of the magnetic properties of the samples reveal a highly non-equilibrium behavior of magnetization in cases of cooling in a magnetic field and without. The superparamagnetic particle model is used to explain the behavior of the magnetic properties of the nanocomplexes. The anisotropy is determined and the size of the nanoparticles is estimated based on this model.
Effect of anisotropy of lighter and heavier ions on solitary waves in a multi-ion plasma
Authors: Manesh M. , Sijo S. , Anu V. , Sreekala G. , Neethu T. W. , Savithri D. E. , Venugopal C.
Published: June 2017

We have studied the combined effect of the pressure anisotropies of lighter and heavier ions of opposite polarities on solitary waves in a plasma composed of these ions as well as kappa described electrons of solar and cometary origin. Using the theory of Chew, Goldberger, and Low (the CGL theory), the anisotropies of all three ions have been included in the derivation of the Zakharov–Kuznetsov equation. The effects of various combinations of pressure anisotropies of both lighter as well as heavier ions of opposite polarities have been considered. From the figures, plotted for parameters observed at comet Halley, it is seen that different properties of the solitary wave such as width and amplitude, as well as dispersion and nonlinear coefficients, are profoundly affected by the anisotropies of the ions. Also, the pressure anisotropy of the lighter ions determines the polarity of the solitary waves: the plasma supports compressive (rarefactive) solitary waves when the lighter ions are pressure isotropic (anisotropic).
Low-temperature spectroscopy of optical centers in cerium-yttrium (Ce1-xYxO2-x/2) and cerium-zirconium (Ce1-xZrxO2) oxides
Authors: Okrushko E. N. , Seminko V. V. , Maksimuchuk P. O. , Bespalova I. I. , Kononets N. V. , Viagin O. G. , Malyukin Yu. V.
Published: June 2017

The results of studying the impact of isovalent (Zr4+) and non-isovalent (Y3+) impurity ions on the formation of oxygen vacancies in the lattice of cerium dioxide nanocrystals. It is shown that the oxygen vacancy content increases significantly with the introduction of both the Y3+ and Zr4+ ions, and that the oxygen vacancies play a part in the formation of two types of optical centers: Ce3+-V··-Ce3+ and F+-centers. The ratio of these optical centers can be manipulated by varying the concentration of impurity ions and the atmosphere of high-temperature nanocrystal processing.
Defect analysis in GaN films of HEMT structure by cross-sectional cathodoluminescence
Authors: Isobe Yasuhiro , Hung Hung , Oasa Kohei , Ono Tasuku , Onizawa Takashi , Yoshioka Akira , Takada Yoshiharu , Saito Yasunobu , Sugiyama Naoharu , Tsuda Kunio , Sugiyama Toru , Mizushima Ichiro
Published: June 2017

Defect analysis of GaN films in high electron mobility transistor (HEMT) structures by cross-sectional cathodoluminescence (X-CL) is demonstrated as a useful technique for improving the current collapse of GaN-HEMT devices, and the relationship between crystal quality and device characteristics is also investigated. The crystal quality of intrinsic-GaN (i-GaN) and carbon-doped GaN produced clearly different peak intensities of blue luminescence (BL), yellow luminescence (YL), and band-edge emission (BE), which is independently detected by X-CL. Current collapse in GaN-HEMT devices is found to be determined by the BL/BE and YL/BE ratios at the top of the i-GaN layer, which is close to the channel. Moreover, the i-GaN thickness required in order to minimize the BL/BE and YL/BE ratios and the thickness dependency of GaN for minimizing the BL/BE and YL/BE ratios depending on the growth conditions can be evaluated by X-CL. However, there is no correlation between current collapse in GaN-HEMT devices and the YL/BE ratio by conventional photoluminescence because HEMT devices consist of multiple GaN layers and the YL signal is detected from the carbon-doped GaN layer. Thus, the X-CL analysis method is a useful technique for device design in order to suppress current collapse.
Evidence for hard and soft substructures in thermoelectric SnSe
Authors: Popuri S. R. , Pollet M. , Decourt R. , Viciu M. L. , Bos J. W. G.
Published: June 2017

SnSe is a topical thermoelectric material with a low thermal conductivity which is linked to its unique crystal structure. We use low-temperature heat capacity measurements to demonstrate the presence of two characteristic vibrational energy scales in SnSe with Debye temperatures θD1 = 345(9) K and θD2 = 154(2) K. These hard and soft substructures are quantitatively linked to the strong and weak Sn-Se bonds in the crystal structure. The heat capacity model predicts the temperature evolution of the unit cell volume, confirming that this two-substructure model captures the basic thermal properties. Comparison with phonon calculations reveals that the soft substructure is associated with the low energy phonon modes that are responsible for the thermal transport. This suggests that searching for materials containing highly divergent bond distances should be a fruitful route for discovering low thermal conductivity materials.
Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules
Authors: Berland Kristian , Jiao Yang , Lee Jung-Hoon , Rangel Tonatiuh , Neaton Jeffrey B. , Hyldgaard Per
Published: June 2017

Two hybrid van der Waals density functionals (vdW-DFs) are developed using 25% Fock exchange with (i) the consistent-exchange vdW-DF-cx functional [K. Berland and P. Hyldgaard, Phys. Rev. B 89, 035412 (2014)] and (ii) with the vdW-DF2 functional [K. Lee et al., Phys. Rev. B 82, 081101 (2010)]. The ability to describe covalent and non-covalent binding properties of molecules is assessed. For properties related to covalent binding, atomization energies (G2-1 set), molecular reaction energies (G2RC set), and ionization energies (G21IP set) are benchmarked against experimental reference values. We find that hybrid-vdW-DF-cx yields results that are rather similar to those of the standard non-empirical hybrid PBE0 [C. Adamo and V. Barone, J. Chem. Phys. 110, 6158 (1999)], with mean average deviations (MADs) of 4.9 and 5.0 kcal/mol for the G2-1 set, respectively. In this comparison, experimental reference values are used, back corrected by wavefunction-based quantum-chemistry calculations of zero-point energies. Hybrid vdW-DF2 follows somewhat different trends, showing on average significantly larger deviations from the reference energies, with a MAD of 14.5 kcal/mol for the G2-1 set. Non-covalent binding properties of molecules are assessed using the S22 benchmark set of non-covalently bonded dimers and the X40 set of dimers of small halogenated molecules, using wavefunction-based quantum chemistry results as references. For the S22 set, hybrid-vdW-DF-cx performs better than standard vdW-DF-cx for the mostly hydrogen-bonded systems, with MAD dropping from 0.6 to 0.3 kcal/mol, but worse for purely dispersion-bonded systems, with MAD increasing from 0.2 to 0.6 kcal/mol. Hybrid-vdW-DF2 offers a slight improvement over standard vdW-DF2. Similar trends are found for the X40 set, with hybrid-vdW-DF-cx performing particularly well for binding energies involving the strongly polar hydrogen halides, but poorly for systems with tiny binding energies. Our study of the X40 set reveals the potential of mixing Fock exchange with vdW-DF, but also highlights shortcomings of the hybrids constructed here. The solid performance of hybrid-vdW-DF-cx for covalent-bonded systems, as well as the strengths and issues uncovered for non-covalently bonded systems, makes this study a good starting point for developing even more accurate hybrid vdW-DFs.
Nearest-neighbor sp3s* tight-binding parameters based on the hybrid quasi-particle self-consistent GW method verified by modeling of type-II superlattices
Authors: Sawamura Akitaka , Otsuka Jun , Kato Takashi , Kotani Takao
Published: June 2017

We report the determination of parameters for the nearest-neighbor sp3s* tight-binding (TB) model for GaP, GaAs, GaSb, InP, InAs, and InSb at 0, 77, and 300 K based on the hybrid quasi-particle self-consistent GW (QSGW) calculation and their application to a type II (InAs)/(GaSb) superlattice. The effects of finite temperature have been incorporated empirically by adjusting the parameter for blending the exchange-correlation terms of the pure QSGW method and local density approximation, in addition to the usage of experimental lattice parameters. As expected, the TB band gap shrinks with temperature and asymptotically with superlattice period when it is large. In addition, a bell curve in the band gap in the case of small superlattice period and slight and remarkable anisotropy in effective masses of electron and hole, both predicted by the hybrid QSGW method, respectively, are reproduced.
Energy location of Ce3+ 4f level and majority carrier type in Gd3Al2Ga3O12:Ce crystals studied by surface photovoltage spectroscopy
Authors: Kitaura Mamoru , Azuma Junpei , Ishizaki Manabu , Kamada Kei , Kurosawa Shunsuke , Watanabe Shinta , Ohnishi Akimasa , Hara Kazuhiko
Published: June 2017

Gd3Al2Ga3O12:Ce (GAGG:Ce) was studied by surface photovoltage spectroscopy using the ultraviolet photoelectron spectroscopy technique with synchrotron radiation and a laser source. The lowest Ce3+ 4f level is located below the conduction band minimum by 3.02 eV. This result is supported by the excitation spectrum for photo-stimulated luminescence and is compatible with the value predicted by the vacuum-referred binding energy scheme for GAGG:Ce. It is also found that GAGG:Ce is of the p-type. The information on the energy location of the Ce3+ 4f level and majority carrier type provides us with hints on how to improve the optical properties of GAGG:Ce for photonic device applications.
The asymmetry of the entrainment range induced by the difference in intrinsic frequencies between two subgroups within the suprachiasmatic nucleus
Authors: Gu Changgui , Yang Huijie
Published: June 2017

The rhythms of physiological and behavioral activities in mammals, which are regulated by the main clock suprachiasmatic nucleus (SCN) in the brain, can not be only synchronized to the natural 24 h light-dark cycle, but also to cycles with artificial periods. The range of the artificial periods that the animal can be synchronized to is called entrainment range. In the absence of the light-dark cycle, the animal can also maintain the circadian rhythm with an endogenous period close to 24 h. Experiments found that the entrainment range is not symmetrical with respect to the endogenous period. In the present study, an explanation is given for the asymmetry based on a Kuramoto model which describes the neuronal network of the SCN. Our numerical simulations and theoretical analysis show that the asymmetry results from the difference in the intrinsic frequencies between two subgroups of the SCN, as well as the entrainment range is affected by the difference.