bluuebunny/crossref_metadata_2025 huggingface dataset:
Exercising alone versus with others and associations with subjective health status in older Japanese: The JAGES Cohort Study
Authors: Kanamori Satoru , Takamiya Tomoko , Inoue Shigeru , Kai Yuko , Kawachi Ichiro , Kondo Katsunori
Published: December 2016

Although exercising with others may have extra health benefits compared to exercising alone, few studies have examined the differences. We sought to examine whether the association of regular exercise to subjective health status differs according to whether people exercise alone and/or with others, adjusting for frequency of exercise. The study was based on the Japan Gerontological Evaluation Study (JAGES) Cohort Study data. Participants were 21,684 subjects aged 65 or older. Multivariable logistic regression models were used to examine the association. The adjusted odds ratios (ORs) for poor self-rated health were significantly lower for people who exercised compared to non-exercisers. In analyses restricted to regular exercisers the ORs for poor health were 0.69 (95% confidence intervals: 0.60–0.79) for individuals exercising alone more often than with others, 0.74 (0.64–0.84) for people who were equally likely to exercise alone as with others, 0.57 (0.43–0.75) for individuals exercising with others more frequently than alone, and 0.79 (0.64–0.97) for individuals only exercising with others compared to individuals only exercising alone. Although exercising alone and exercising with others both seem to have health benefits, increased frequency of exercise with others has important health benefits regardless of the total frequency of exercise.
Porphyrins produce uniquely ephemeral animal colouration: a possible signal of virginity
Authors: Galván Ismael , Camarero Pablo R. , Mateo Rafael , Negro Juan J.
Published: December 2016

Colours that underlie animal pigmentation can either be permanent or renewable in the short term. Here we describe the discovery of a conspicuous salmon-pink colouration in the base of bustard feathers and down that has never been reported because of its extraordinarily brief expression. HPLC analyses indicated that its constituent pigments are coproporphyrin III and protoporphyrin IX, which are prone to photodegradation. Accordingly, an experimental exposure of feathers of three bustard species to sunlight produced a rapid disappearance of the salmon-pink colouration, together with a marked decrease in reflectance around 670 nm coinciding with the absorption of porphyrin photoproducts. The disappearance of the salmon-pink colouration can occur in a period as short as 12 min, likely making it the most ephemeral colour phenotype in any extant bird. The presence of this colour trait in males performing sexual displays may thus indicate to females a high probability that the males were performing their first displays and would engage in their first copulations in the breeding season. In dominant males, sperm quality decreases over successive copulations, thus porphyrin-based colouration may evolve as a signal of virginity that allows females to maximize their fitness in lek mating systems.
Epithelial ovarian carcinoma diagnosis by desorption electrospray ionization mass spectrometry imaging
Authors: Dória Maria Luisa , McKenzie James S. , Mroz Anna , Phelps David L. , Speller Abigail , Rosini Francesca , Strittmatter Nicole , Golf Ottmar , Veselkov Kirill , Brown Robert , Ghaem-Maghami Sadaf , Takats Zoltan
Published: December 2016

Ovarian cancer is highly prevalent among European women, and is the leading cause of gynaecological cancer death. Current histopathological diagnoses of tumour severity are based on interpretation of, for example, immunohistochemical staining. Desorption electrospray mass spectrometry imaging (DESI-MSI) generates spatially resolved metabolic profiles of tissues and supports an objective investigation of tumour biology. In this study, various ovarian tissue types were analysed by DESI-MSI and co-registered with their corresponding haematoxylin and eosin (H&E) stained images. The mass spectral data reveal tissue type-dependent lipid profiles which are consistent across the n = 110 samples (n = 107 patients) used in this study. Multivariate statistical methods were used to classify samples and identify molecular features discriminating between tissue types. Three main groups of samples (epithelial ovarian carcinoma, borderline ovarian tumours, normal ovarian stroma) were compared as were the carcinoma histotypes (serous, endometrioid, clear cell). Classification rates >84% were achieved for all analyses, and variables differing statistically between groups were determined and putatively identified. The changes noted in various lipid types help to provide a context in terms of tumour biochemistry. The classification of unseen samples demonstrates the capability of DESI-MSI to characterise ovarian samples and to overcome existing limitations in classical histopathology.
Origin of sample size effect: Stochastic dislocation formation in crystalline metals at small scales
Authors: Huang Guan-Rong , Huang J. C. , Tsai W. Y.
Published: December 2016

In crystalline metals at small scales, the dislocation density will be increased by stochastic events of dislocation network, leading to a universal power law for various material structures. In this work, we develop a model obeyed by a probability distribution of dislocation density to describe the dislocation formation in terms of a chain reaction. The leading order terms of steady-state of probability distribution gives physical and quantitative insight to the scaling exponent n values in the power law of sample size effect. This approach is found to be consistent with experimental n values in a wide range.
Weighing Scale-Based Pulse Transit Time is a Superior Marker of Blood Pressure than Conventional Pulse Arrival Time
Authors: Martin Stephanie L.-O. , Carek Andrew M. , Kim Chang-Sei , Ashouri Hazar , Inan Omer T. , Hahn Jin-Oh , Mukkamala Ramakrishna
Published: December 2016

Pulse transit time (PTT) is being widely pursued for cuff-less blood pressure (BP) monitoring. Most efforts have employed the time delay between ECG and finger photoplethysmography (PPG) waveforms as a convenient surrogate of PTT. However, these conventional pulse arrival time (PAT) measurements include the pre-ejection period (PEP) and the time delay through small, muscular arteries and may thus be an unreliable marker of BP. We assessed a bathroom weighing scale-like system for convenient measurement of ballistocardiography and foot PPG waveforms – and thus PTT through larger, more elastic arteries – in terms of its ability to improve tracking of BP in individual subjects. We measured “scale PTT”, conventional PAT, and cuff BP in humans during interventions that increased BP but changed PEP and smooth muscle contraction differently. Scale PTT tracked the diastolic BP changes well, with correlation coefficient of −0.80 ± 0.02 (mean ± SE) and root-mean-squared-error of 7.6 ± 0.5 mmHg after a best-case calibration. Conventional PAT was significantly inferior in tracking these changes, with correlation coefficient of −0.60 ± 0.04 and root-mean-squared-error of 14.6 ± 1.5 mmHg (p < 0.05). Scale PTT also tracked the systolic BP changes better than conventional PAT but not to an acceptable level. With further development, scale PTT may permit reliable, convenient measurement of BP.
Novel platform technology for modular mucosal vaccine that protects against streptococcus
Authors: Zaman Mehfuz , Ozberk Victoria , Langshaw Emma L. , McPhun Virginia , Powell Jessica L. , Phillips Zachary N. , Ho Mei Fong , Calcutt Ainslie , Batzloff Michael R. , Toth Istvan , Hill Geoffrey R. , Pandey Manisha , Good Michael F.
Published: December 2016

The upper respiratory tract (URT) is the major entry site for human pathogens and strategies to activate this network could lead to new vaccines capable of preventing infection with many pathogens. Group A streptococcus (GAS) infections, causing rheumatic fever, rheumatic heart disease, and invasive disease, are responsible for substantial morbidity and mortality. We describe an innovative vaccine strategy to induce mucosal antibodies of significant magnitude against peptide antigens of GAS using a novel biocompatible liposomal platform technology. The approach is to encapsulate free diphtheria toxoid (DT), a standard vaccine antigen, within liposomes as a source of helper T-cell stimulation while lipidated peptide targets for B-cells are separately displayed on the liposome surface. As DT is not physically conjugated to the peptide, it is possible to develop modular epitopic constructs that simultaneously activate IgA-producing B-cells of different and complementary specificity and function that together neutralize distinct virulence factors. An inflammatory cellular immune response is also induced. The immune response provides profound protection against streptococcal infection in the URT. The study describes a new vaccine platform for humoral and cellular immunity applicable to the development of vaccines against multiple mucosal pathogens.
A pathway-centric view of spatial proximity in the 3D nucleome across cell lines
Authors: Karathia Hiren , Kingsford Carl , Girvan Michelle , Hannenhalli Sridhar
Published: December 2016

In various contexts, spatially proximal genes have been shown to be functionally related. However, the extent to which spatial proximity of genes in a pathway contributes to the pathway’s context-specific activity is not known. Leveraging Hi-C data in six human cell-lines, we show that spatial proximity of genes in a pathway is highly correlated with the pathway’s context-specific expression and function. Furthermore, spatial proximity of pathway genes correlates with interactions of their protein products, and the specific pathway genes that are proximal to one another tend to occupy higher levels in the regulatory hierarchy. In addition to intra-pathway proximity, related pathways are spatially proximal to one another and housekeeping-genes tend to be proximal to several other pathways suggesting their coordinating role. Substantially extending previous works, our study reveals a pathway-centric organization of 3D-nucleome, whereby, functionally related interacting driver genes tend to be in spatial-proximity in a context-specific manner.
Real-time detection of dielectric anisotropy or isotropy in unconventional oil-gas reservoir rocks supported by the oblique-incidence reflectivity difference technique
Authors: Zhan Honglei , Wang Jin , Zhao Kun , Lű Huibin , Jin Kuijuan , He Liping , Yang Guozhen , Xiao Lizhi
Published: December 2016

Current geological extraction theory and techniques are very limited to adequately characterize the unconventional oil-gas reservoirs because of the considerable complexity of the geological structures. Optical measurement has the advantages of non-interference with the earth magnetic fields, and is often useful in detecting various physical properties. One key parameter that can be detected using optical methods is the dielectric permittivity, which reflects the mineral and organic properties. Here we reported an oblique-incidence reflectivity difference (OIRD) technique that is sensitive to the dielectric and surface properties and can be applied to characterization of reservoir rocks, such as shale and sandstone core samples extracted from subsurface. The layered distribution of the dielectric properties in shales and the uniform distribution in sandstones are clearly identified using the OIRD signals. In shales, the micro-cracks and particle orientation result in directional changes of the dielectric and surface properties, and thus, the isotropy and anisotropy of the rock can be characterized by OIRD. As the dielectric and surface properties are closely related to the hydrocarbon-bearing features in oil-gas reservoirs, we believe that the precise measurement carried with OIRD can help in improving the recovery efficiency in well-drilling process.
Epidemiological analysis of hemorrhagic fever with renal syndrome in China with the seasonal-trend decomposition method and the exponential smoothing model
Authors: Ke Guibao , Hu Yao , Huang Xin , Peng Xuan , Lei Min , Huang Chaoli , Gu Li , Xian Ping , Yang Dehua
Published: December 2016

Hemorrhagic fever with renal syndrome (HFRS) is one of the most common infectious diseases globally. With the most reported cases in the world, the epidemic characteristics are still remained unclear in China. This paper utilized the seasonal-trend decomposition (STL) method to analyze the periodicity and seasonality of the HFRS data, and used the exponential smoothing model (ETS) model to predict incidence cases from July to December 2016 by using the data from January 2006 to June 2016. Analytic results demonstrated a favorable trend of HFRS in China, and with obvious periodicity and seasonality, the peak of the annual reported cases in winter concentrated on November to January of the following year, and reported in May and June also constituted another peak in summer. Eventually, the ETS (M, N and A) model was adopted for fitting and forecasting, and the fitting results indicated high accuracy (Mean absolute percentage error (MAPE) = 13.12%). The forecasting results also demonstrated a gradual decreasing trend from July to December 2016, suggesting that control measures for hemorrhagic fever were effective in China. The STL model could be well performed in the seasonal analysis of HFRS in China, and ETS could be effectively used in the time series analysis of HFRS in China.
Elastic net wavelength interval selection based on iterative rank PLS regression coefficient screening
Authors: Huang Xin , Luo Yi-Ping , Xu Qing-Song , Liang Yi-Zeng
Published: December 2016

A novel wavelength interval selection method, called elastic net variable selection by using iterative rank PLS regression coefficient screening (EN-IRRCS) is proposed.
Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion
Authors: Tan Davin , Friščić Tomislav
Published: December 2016

A novel carbodiimide insertion reaction enables a one-step, two-atom expansion of cyclic and linear sulfonimides, including the first direct expansion of saccharin into thiadiazepines.
Benzimidazopurine nucleosides from N6-aryl adenosine derivatives by PhI(OAc)2-mediated C–N bond formation, no metal needed
Authors: Satishkumar Sakilam , Lakshman Mahesh K.
Published: December 2016

N6-Aryl 2′-deoxyadenosine and adenosine derivatives are readily cyclized to benzimidazopurine nucleoside analogues by simple exposure to PhI(OAc)2in 1,1,1,3,3,3-hexafluoro-2-propanol.
A Trp-BODIPY cyclic peptide for fluorescence labelling of apoptotic bodies
Authors: Subiros-Funosas Ramon , Mendive-Tapia Lorena , Sot Jesus , Pound John D. , Barth Nicole , Varela Yaiza , Goñi Felix M. , Paterson Margaret , Gregory Christopher D. , Albericio Fernando , Dransfield Ian , Lavilla Rodolfo , Vendrell Marc
Published: December 2016

We describe the synthesis and characterization of a Trp-BODIPY fluorogenic peptide for labelling subcellular bodies released by human apoptotic cells.
Metal nanofoams via a facile microwave-assisted solvothermal process
Authors: Kreder K. J. , Manthiram A.
Published: December 2016

A novel, facile, non-hazardous, low temperature/pressure microwave solvothermal method of producing pure copper, silver, and nickel metal nanofoams is presented.
Novel rare earth fluorescent supramolecular polymeric assemblies constructed by orthogonal pillar[5]arene-based molecular recognition, Eu(iii)-coordination and π–π donor–acceptor interactions
Authors: Shangguan Liqing , Xing Hao , Mondal Julfikar Hassan , Shi Bingbing
Published: December 2016

Linear rare earth fluorescent supramolecular polymer is easily constructed by pillar[5]arene-based molecular interaction.
Proton-driven coordination-induced spin state switch (PD-CISSS) of iron(ii) complexes
Authors: Nowak René , Prasetyanto Eko Adi , De Cola Luisa , Bojer Beate , Siegel Renée , Senker Jürgen , Rössler Ernst , Weber Birgit
Published: December 2016

A pH dependent reversible spin state switch is observed for strong field iron(ii) complexes in line with a significant relaxivity gap between the high spin and the low spin state.
A ratiometric nanoarchitecture for the simultaneous detection of pH and halide ions using UV plasmon-enhanced fluorescence
Authors: Asselin Jérémie , Lambert Marie-Pier , Fontaine Nicolas , Boudreau Denis
Published: December 2016

In this work, we designed a ratiometric core–shell nanoarchitecture composed of an indium UV plasmonic core, an internal reference (rhodamine B), a pH-sensitive probe (fluorescein), and a halide ion sensor (6-methoxyquinolinium).
Can multi-biaxial mesogenic mixtures favour biaxial nematics? A computer simulation study
Authors: Querciagrossa Lara , Ricci Matteo , Berardi Roberto , Zannoni Claudio
Published: December 2016

A mixture of mesogens with different anisotropies favours the biaxial nematic phase.
Structural influence of proteins upon adsorption to MoS2 nanomaterials: comparison of MoS2 force field parameters
Authors: Gu Zonglin , De Luna Phil , Yang Zaixing , Zhou Ruhong
Published: December 2016

Molybdenum disulfide (MoS2) has recently emerged as a promising nanomaterial in a wide range of applications due to its unique and impressive properties.
Exploring the oxidative stress response mechanism triggered by environmental water samples
Authors: Neale Peta A. , Achard Maud E. S. , Escher Beate I. , Leusch Frederic D. L.
Published: December 2016

The oxidative stress response triggered by surface water samples was explored by measuring ROS formation and changes in glutathione concentration.
Lessons and guidance for the management of safe drinking water during extreme weather events
Authors: Khan Stuart J. , Deere Daniel , Leusch Frederic D. L. , Humpage Andrew , Jenkins Madeleine , Cunliffe David , Fitzgerald Shona K. , Stanford Benjamin D.
Published: December 2016

Extreme weather events have presented significant challenges to drinking water quality managers in Australia.
Removal of bacterial cells, antibiotic resistance genes and integrase genes by on-site hospital wastewater treatment plants: surveillance of treated hospital effluent quality
Authors: Timraz Kenda , Xiong Yanghui , Al Qarni Hamed , Hong Pei-Ying
Published: December 2016

This study aims to evaluate the removal efficiency of microbial contaminants by wastewater treatment plants (WWTPs) operated on-site of two hospitals.
Orthogonally reactive amino acids and end groups in NCA polymerization
Authors: Huesmann David , Klinker Kristina , Barz Matthias
Published: December 2016

We summarize recent strategies for the synthesis of orthogonally reactive polypeptides and polypeptoids by direct and post-polymerization approaches.
Crystal structure, electronic structure and physical properties of the new quaternary chalcogenides Tl2NdAg3Se4 and Tl2NdAg3Te4
Authors: Assoud A. , Guo Q. , Sankar C. R. , Kleinke H.
Published: December 2016

Two new quaternary chalcogenides are presented, which are bestowed with extraordinarily low thermal conductivity.
Development of a dual screening strategy to identify pro-angiogenic compounds from natural products: application on Tongmai Yangxin Pills
Authors: Li Lailai , Liu Ningning , Dai Xiangdong , Yan Haifeng , Zhang Ling , Xing Leilei , Wang Yi , Wang Yi
Published: December 2016

Establishment and application the dual-screening strategy to screen pro-angiogenic compounds from natural products for the first time.
Designed porous milli-scale reactors with enhanced interfacial mass transfer in two-phase flows
Authors: Potdar Aditi , Protasova Lidia N. , Thomassen Leen , Kuhn Simon
Published: December 2016

Designed porous milli-scale reactors with enhanced mass transfer performance and reduced pressure drop compared to conventional packed bed reactors.
Pentafluorobenzene end-group as a versatile handle for para fluoro “click” functionalization of polythiophenes
Authors: Boufflet Pierre , Casey Abby , Xia Yiren , Stavrinou Paul N. , Heeney Martin
Published: December 2016

Inclusion of a perfluorophenyl endgroup enables the ready functionalization of water soluble polythiophenes under mild conditions.
Catalytic activity of catalase–silica nanoparticle hybrids: from ensemble to individual entity activity
Authors: Chan Crystal , Sepunaru Lior , Sokolov Stanislav V. , Kätelhön Enno , Young Neil P. , Compton Richard G.
Published: December 2016

We demonstrate the electrochemical detection and characterization of individual nanoparticle–enzyme hybrids.
One dimensional CdS based materials for artificial photoredox reactions
Authors: Tang Zi-Rong , Han Bin , Han Chuang , Xu Yi-Jun
Published: December 2016

The design and construction of 1D CdS based photocatalysts with boosted performance have been elaborately reviewed, and some challenges and opportunities for the future exploration in this arena are discussed.
Biomass derived carbon for energy storage devices
Authors: Wang Jie , Nie Ping , Ding Bing , Dong Shengyang , Hao Xiaodong , Dou Hui , Zhang Xiaogang
Published: December 2016

Biomass-derived carbon materials have received extensive attention as electrode materials for energy storage devices, including electrochemical capacitors, lithium–sulfur batteries, lithium-ion batteries, and sodium-ion batteries.
Defect chemistry and enhancement of thermoelectric performance in Ag-doped Sn1+δ−xAgxTe
Authors: Lee Min Ho , Byeon Do-Gyun , Rhyee Jong-Soo , Ryu Byungki
Published: December 2016

We investigated the thermoelectric properties and electronic band structure calculation of Sn1−xAgxTe and Sn1.03−xAgxTe (x = 1, 3, 5, 7 mol%) compounds.
Low-adhesive superhydrophobic surface-enhanced Raman spectroscopy substrate fabricated by femtosecond laser ablation for ultratrace molecular detection
Authors: Wang Andong , Jiang Lan , Li Xiaowei , Xie Qian , Li Bohong , Wang Zhi , Du Kun , Lu Yongfeng
Published: December 2016

LAS-SERS can detect the analytes of highly diluted solutions as low as sub-pico-molar concentration from only 20 μL solutions.
IQCA-TASS: a nano-scaled P-selectin inhibitor capable of targeting thrombus and releasing IQCA/TARGD(S)S in vivo
Authors: Wu Jianhui , Zhu Haimei , Zhao Ming , Wang Yuji , Yang Guodong , Wang Yaonan , Zhao Shurui , Gui Lin , Zhang Xiaoyi , Peng Shiqi
Published: December 2016

Thrombosis is a serious threat to human health worldwide. Tetrahydroisoquinoline-3-carboxylic acid (IQCA) is an antithrombotic agent, while Thr-Ala-Arg-Gly-Asp(Ser)-Ser (TASS) can target thrombus.
Asymmetric thiophene/pyridine flanked diketopyrrolopyrrole polymers for high performance polymer ambipolar field-effect transistors and solar cells
Authors: Qiu Gege , Jiang Zhaoyan , Ni Zhenjie , Wang Hanlin , Dong Huanli , Zhang Jianqi , Zhang Xiaotao , Shu Zhibin , Lu Kun , Zhen Yonggang , Wei Zhixiang , Hu Wenping
Published: December 2016

Two new asymmetric DPP polymers were designed and synthesized, which gave excellent ambipolar transporting properties for OFETs and PSCs.
Temperature-insensitive electro-optic response of polymer-stabilized blue phases
Authors: Nordendorf Gaby , Schmidtke Jürgen , Wilkes David , Kitzerow Heinz
Published: December 2016

Polymer-stabilized blue phase liquid crystal in-plane switching cell.
Gate tunable photovoltaic effect in MoS2 vertical p–n homostructures
Authors: Svatek Simon A. , Antolin Elisa , Lin Der-Yuh , Frisenda Riccardo , Reuter Christoph , Molina-Mendoza Aday J. , Muñoz Manuel , Agraït Nicolás , Ko Tsung-Shine , de Lara David Perez , Castellanos-Gomez Andres
Published: December 2016

J–V characteristics of few-layer all-MoS2 p–n junctions and their gate modulation are thoroughly analysed.
Magnetic moment and spin state transition on rare monovalent iron ion in nitridoferrate Ca6Li0.5Fe0.5Te2N3
Authors: Yan Xun-Wang , Huang Zhongbing , Zhang Chunfang , Gao Miao , Chen Lei , Zhong Guohua , Lin Hai-Qing
Published: December 2016

Spin state transition on rare monovalent iron ions in linear N–Fe–N chain in nitridoferrate Ca6Li0.5Fe0.5Te2N3.
Metabolomics in nutrition research–a powerful window into nutritional metabolism
Authors: Brennan Lorraine
Published: December 2016

Metabolomics is the study of small molecules present in biological samples. In recent years it has become evident that such small molecules, called metabolites, play a key role in the development of disease states. Furthermore, metabolomic applications can reveal information about alterations in certain metabolic pathways under different conditions. Data acquisition in metabolomics is usually performed using nuclear magnetic resonance (NMR)-based approaches or mass spectrometry (MS)-based approaches with a more recent trend including the application of multiple platforms in order to maximise the coverage in terms of metabolites measured. The application of metabolomics is rapidly increasing and the present review will highlight applications in nutrition research.
Fabrication and origin of asymmetric polyvinylidene fluoride‐carbon nanotube/cyanate ester materials with high dielectric constant and low dielectric loss through building double‐layered structure
Authors: Zheng Longhui , Yuan Li , Guan Qingbao , Gu Aijuan , Liang Guozheng
Published: December 2016

High dielectric loss has been the biggest sticky problem for high‐k conductor/polymer composites. Herein, a new asymmetric material consisting of one layer of β‐phase poly(vinylidene fluoride) (PVDF) and another layer of carboxylated carbon nanotube (eCNT)/cyanate ester (CE) composite was fabricated, coded as PVDFx–eCNTq/CE, where x is the thickness of PVDF layer ranging from 3 to 70 μm, q is the loading of eCNTs (f), taking values of 1.2 and 1.7 wt%. The influences of f and x values on dielectric properties and breakdown strengths of PVDF–eCNT/CE materials were systematically studied. When f is smaller than the percolation threshold (fc) of eCNT/CE (fc = 1.6 wt%), the corresponding PVDF–eCNT1.2/CE materials have similar conductive and dielectric properties as eCNT1.2/CE composite. When f > fc, all PVDF–eCNT1.7/CE materials have much lower dielectric loss than eCNT1.7/CE, while with suitable thickness of PVDF layer (<70 μm), PVDF–eCNT/CE materials have significantly improved dielectric constants and breakdown strengths. For the PVDF–eCNT1.7/CE material of which the thickness of PVDF layer is 5 μm, its dielectric constant at 1 Hz is 1699, about ten times of that of eCNT1.7/CE, while the dielectric loss is only 2.31 × 10−2 times of that of the latter. The origin behind was intensively studied in terms of space charge distribution.
Characterisation of Pareto boundary for uplink small‐cell base stations allocation: a fast iterative algorithm
Authors: Lu Li , Wang Desheng , Liu Yingzhuang
Published: December 2016

In a densely deployed small‐cell network, part of small‐cell base stations (BSs) are activated to serve users while the rest are sleep to save energy. The uplink performance region is studied here for such network employing orthogonal frequency‐division multiple access. The authors characterise the limit of performance region using the Pareto boundary. This boundary describes all achievable performance results of beamformers and power allocation. Enabling BS allocation increases the spatial degree of freedom by cooperative reception but greatly complicates searching boundary of performance region. To overcome the complexity challenge, a fast and customised iterative algorithm is developed to check if an arbitrary given performance target is feasible. Using the proposed feasibility checking, the authors can characterise the Pareto‐optimal boundary of uplink performance with activated BS allocation. The authors further study two types of BS allocation schemes, namely the network‐centric and user‐centric strategies. Comparison of both strategies is illustrated in the authors’ numerical examples.
Porcine Urinary Bladder Extracellular Matrix for the Salvage of Fibula Free Flap Skin Paddle: Technical Note and Description of a Case
Authors: Shanti Rabie M. , Smart Ryan J. , Meram Andrew , Kim David
Published: December 2016

This report establishes a novel application of a commercially available porcine urinary bladder extracellular matrix, MatriStem (ACell, Inc., Columbia, MD), in the salvage of partial loss of the skin paddle of a fibula osteoseptocutaneous free flap that was utilized for mandibular reconstruction.
Dyspnea as the Presenting Symptom of Cervical Spondylotic Myelopathy
Authors: Yu Elizabeth , Romero Neil , Miles Troy , Hsu Stephanie , Kondrashov Dimitriy
Published: December 2016

Background A case report of acute unilateral hemidiaphragm paralysis and resultant dyspnea due to cervical spondylotic myelopathy (CSM) is described.

Case Report An 82-year-old man presented with a nonproductive cough, chest congestion, hoarseness, and shortness of breath on ambulation. The patient underwent cardiac catheterization, which revealed extensive stenosis of the major cardiac arteries. Subsequently, he underwent triple coronary artery bypass grafting. Despite the cardiac surgery, the patient's dyspnea did not improve. In addition, he developed new complaints of generalized weakness. Magnetic resonance and radiographic imaging of the cervical spine revealed extensive multilevel degenerative spondylosis with moderate to severe central canal narrowing from C2 to C7 and myelomalacia. The patient underwent C2–C6 laminectomy and instrumented fusion with local autograft. After surgery, the patient had gradual relief of dyspnea as well as improvement of strength. The dyspnea completely resolved.

Conclusion The diagnosis of CSM as the cause of dyspnea is difficult to make. When unrelated cardiac or pulmonary disease coexists, the presenting symptoms of CSM may be subtle and must be actively sought. Signs and symptoms can vary widely and may include symptoms of intermittent neck pain or headache. Dyspnea may be related to unilateral diaphragm paralysis caused by CSM. This etiology of dyspnea should be considered in elderly patients who have other comorbidities that often obscure the diagnosis.
Inanspruchnahme des psychosozialen Hilfesystems bei jungen, psychisch erkrankten Arbeitslosengeld-II-Empfängern vor und nach Nutzung eines psychiatrisch-psychologischen Beratungsangebotes
Authors: Hagen C. , Bänfer S. , Werkstetter L. , Hebebrand J. , Reissner V.
Published: December 2016

Ziel der Studie: Erfassung der Inanspruchnahme des Hilfesystems bei psychisch erkrankten 16–24-jähriger Arbeitslosengeld-II-Empfängern vor und nach der Nutzung eines psychiatrisch-psychologischen Beratungsangebotes („Support 25“).

Methodik: Längsschnittliche Erfassung der Inanspruchnahme zu 3 Messzeitpunkten über insgesamt 9 Monate (N=148); Messung möglicher Einflussfaktoren mittels Selbst- und Fremdratinginstrumenten.

Ergebnisse: Die Inanspruchnahme verdoppelte sich nach Erhalt einer Behandlungsempfehlung auf 40% nach 3 Monaten bzw. 47,5% nach 6 Monaten. Inhaltlich dominierte die Nutzung niederschwelliger psychosozialer Beratungsangebote gegenüber primär psychiatrisch-psychotherapeutischen Behandlungen. Probanden, die sich in Beratung/Behandlung begeben hatten, wiesen tendenziell ein niedrigeres allgemeines Funktionsniveau auf als Probanden ohne Inanspruchnahme. Stigma-Faktoren behinderten die Einmündung in Beratung/Behandlung nicht.

Schlussfolgerungen: Die hier untersuchten jungen Arbeitslosengeld-II-Empfänger hatten – trotz ausgeprägter psychiatrischer Morbidität – Schwierigkeiten, in Behandlungsangebote einzumünden. Obwohl sich nach erfolgter Aufklärung über Diagnosen und Behandlungsmöglichkeiten die Inanspruchnahme verbesserte, dominierten weiterhin niederschwellige Beratungsangebote. Dies könnte darauf hindeuten, dass sich das primär psychiatrisch-psychotherapeutische Hilfesystem besser an die besonderen Bedürfnisse der Zielgruppe anpassen muss, z. B. durch die Ausweitung spezifischer psychoedukativer Angebote an Jobcentern.
A statistical model to predict streamwise turbulent dispersion from the wall at small times
Authors: Nguyen Quoc , Papavassiliou Dimitrios V.
Published: December 2016

Data from simulations are used to develop a statistical model that can provide the streamwise dispersion distribution of passive particles released from the wall of a turbulent flow channel. It is found that a three-point gamma probability density function is the statistical distribution that can describe the dispersion of particles with Schmidt numbers ranging from 6 to 2400 at relatively short times after the release of the particles. Scaling arguments are used to physically justify and predict the parameters of the gamma three-point distribution. The model is used to predict particle separation that can occur in turbulent flow under special conditions. Close to the channel wall, turbulent convection is not the dominant transport mechanism, but molecular diffusion can dominate transport depending on the Schmidt number of the particles. This leads to turbulence-induced separation rather than mixing, and the currently proposed model can be used to predict the level of separation. Practically, these results can be applied for separating very small particles or even macromolecules in dilute suspensions.
Poisson-Boltzmann model of electrolytes containing uniformly charged spherical nanoparticles
Authors: Bohinc Klemen , Volpe Bossa Guilherme , Gavryushov Sergei , May Sylvio
Published: December 2016

Like-charged macromolecules typically repel each other in aqueous solutions that contain small mobile ions. The interaction tends to turn attractive if mobile ions with spatially extended charge distributions are added. Such systems can be modeled within the mean-field Poisson-Boltzmann formalism by explicitly accounting for charge-charge correlations within the spatially extended ions. We consider an aqueous solution that contains a mixture of spherical nanoparticles with uniform surface charge density and small mobile salt ions, sandwiched between two like-charged planar surfaces. We perform the minimization of an appropriate free energy functional, which leads to a non-linear integral-differential equation for the electrostatic potential that we solve numerically and compare with predictions from Monte Carlo simulations. Nanoparticles with uniform surface charge density are contrasted with nanoparticles that have all their charges relocated at the center. Our mean-field model predicts that only the former (especially when large and highly charged particles) but not the latter are able to mediate attractive interactions between like-charged planar surfaces. We also demonstrate that at high salt concentration attractive interactions between like-charged planar surfaces turn into repulsion.
Si nanotubes as an efficient electrode material for ZnO-based hetero-structure LEDs
Authors: Mashayekhi Alireza , Sanaee Zeinab , Sadeghipari Mehrnoosh , Mohajerzadeh Shamsoddin
Published: December 2016

Silicon in the forms of nanotube (NT), nanowire (NW), and bulk were used as the p-type electrode for zinc-oxide NWs on Si heterojunction light emitting diodes (LED). The LEDs were fabricated by direct contact between p-type Si and n-type ZnO NWs. The results show that using Si NTs leads to a significant improvement in their LED performance including considerably lower turn-on voltage, smaller series resistance, higher rectification ratio, and stronger light intensity. Using this electrode, an excellent rectifying diode behavior was obtained with a turn-on voltage of 0.6 V and a rectification ratio of 15 at 5 V. This study proposes Si NTs as a promising electrode material for the fabrication of ZnO-based heterojunction LEDs.
Dynamics of water confined in mesoporous magnesium carbonate
Authors: Soininen Antti J. , Appavou Marie-Sousai , Frykstrand Sara , Welch Ken , Khaneft Marina , Kriele Armin , Bellissent-Funel Marie-Claire , Strømme Maria , Wuttke Joachim
Published: December 2016

We have measured the dynamics of water confined in a porous magnesium carbonate material, Upsalite®, using the high-resolution neutron backscattering spectrometer SPHERES. We found quasielastic scattering that does not flatten out up to 360 K, which means that the dynamics of water are much slower than in other matrix materials. Specifically, a single Lorentzian line could be fitted to the quasielastic part of the acquired spectra between 220 and 360 K. This, accompanied by an elastic line from dynamically frozen water present at all experimental temperatures, even above the melting point, signaled a significant amount of bound or slow water.
Thermodynamic scaling of vibrational dynamics and relaxation
Authors: Puosi F. , Chulkin O. , Bernini S. , Capaccioli S. , Leporini D.
Published: December 2016

We investigate by thorough molecular dynamics simulations the thermodynamic scaling (TS) of a polymer melt. Two distinct models, with strong and weak virial-energy correlations, are considered. Both evidence the joint TS with the same characteristic exponent γts of the fast mobility—the mean square amplitude of the picosecond rattling motion inside the cage—and the much slower structural relaxation and chain reorientation. If the cage effect is appreciable, the TS master curves of the fast mobility are nearly linear, grouping in a bundle of approximately concurrent lines for different fragilities. An expression of the TS master curve of the structural relaxation with one adjustable parameter less than the available three-parameter alternatives is derived. The novel expression fits well with the experimental TS master curves of thirty-four glassformers and, in particular, their slope at the glass transition, i.e., the isochoric fragility. For the glassformer OTP, the isochoric fragility allows to satisfactorily predict the TS master curve of the fast mobility with no adjustments.
Orientation and rotation dynamics of triaxial ellipsoidal tracers in wall turbulence
Authors: Challabotla Niranjan Reddy , Zhao Lihao , Andersson Helge I.
Published: December 2016

The rotational dynamics of triaxial ellipsoidal particles in turbulent channel flow have been explored. The non-inertial particles were tracked in a Lagrangian approach in an Eulerian flow field that resulted from a direct numerical simulation. Although the tracer particles translated along with the local fluid, they did not adhere to the local fluid rotation. The triaxial ellipsoids were characterized by two independent shape parameters that both were varied from 0.1 to 10. In spite of the anisotropic velocity field in the channel center, the tumbling of the particles closely resembled earlier results in homogeneous isotropic turbulence. The orientation of the particles varied substantially from the center to the near-wall region where triaxial particles tended to align their major axis in the mean flow direction and their minor axis in the wall-normal direction. These preferential alignments caused the ellipsoid to tumble as a rod about the major axis and like a disk about the minor axis. These observations show the dual nature of triaxial ellipsoids embedded in real turbulence.
Orbit-orbit relativistic correction calculated with all-electron molecular explicitly correlated Gaussians
Authors: Stanke Monika , Palikot Ewa , Kȩdziera Dariusz , Adamowicz Ludwik
Published: December 2016

An algorithm for calculating the first-order electronic orbit-orbit magnetic interaction correction for an electronic wave function expanded in terms of all-electron explicitly correlated molecular Gaussian (ECG) functions with shifted centers is derived and implemented. The algorithm is tested in calculations concerning the H2 molecule. It is also applied in calculations for LiH and H3+ molecular systems. The implementation completes our work on the leading relativistic correction for ECGs and paves the way for very accurate ECG calculations of ground and excited potential energy surfaces (PESs) of small molecules with two and more nuclei and two and more electrons, such as HeH−, H3+, HeH2+, and LiH2+. The PESs will be used to determine rovibrational spectra of the systems.
Carrier mobility in double-helix DNA and RNA: A quantum chemistry study with Marcus-Hush theory
Authors: Wu Tao , Sun Lei , Shi Qi , Deng Kaiming , Deng Weiqiao , Lu Ruifeng
Published: December 2016

Charge mobilities of six DNAs and RNAs have been computed using quantum chemistry calculation combined with the Marcus-Hush theory. Based on this simulation model, we obtained quite reasonable results when compared with the experiment, and the obtained charge mobility strongly depends on the molecular reorganization and electronic coupling. Besides, we find that hole mobilities are larger than electron mobilities no matter in DNAs or in RNAs, and the hole mobility of 2L8I can reach 1.09 × 10−1 cm2 V−1 s−1 which can be applied in the molecular wire. The findings also show that our theoretical model can be regarded as a promising candidate for screening DNA- and RNA-based molecular electronic devices.
Chirality-sensitive effects induced by nuclear relaxation in an electric field
Authors: Garbacz Piotr
Published: December 2016

Two effects induced by the interaction between an electric field E and a permanent electric dipole moment 𝝁𝒆 of a chiral molecule placed in a magnetic field B are discussed as follows: (i) a spin-1/2 nucleus relaxes faster and the increase in the relaxation rate is the same for both enantiomers and (ii) in a two-spin system a cross correlation between the dipole-dipole relaxation mechanism and the interaction between nuclear magnetic shielding and the dipole moment 𝝁𝒆 enables the direct discrimination between the enantiomers. The former effect is too small in magnitude to be observed experimentally. For detection of the latter, an experimental procedure based on the application of an electric field oscillating at a frequency equal to the difference between the spin-precession frequencies of two heteronuclear spins is proposed.
Plasma dynamics and cations off-stoichiometry in LaAlO3 films grown in high pressures regimes
Authors: Sambri A. , Khare Amit , Mirabella S. , Di Gennaro E. , Safeen Akif , Di Capua F. , Campajola L. , Scotti di Uccio U. , Amoruso S. , Miletto Granozio F.
Published: December 2016

The indirect effect of oxygen background gas on the La/Al ratio during the growth of LaAlO3 (LAO) films by pulsed laser deposition (PLD) is analyzed, in a pressure range between 10−3 and 10−1 mbar. We resort to two complementary investigation methods: Rutherford backscattering spectroscopy and spectrally resolved, time-gated imaging of the laser plume. The first technique allows us to analyze the stoichiometry of the deposited films, and the latter allows us to analyze the plume expansion phase of the PLD process by collecting chemically resolved two-dimensional images of the relevant atomic/molecular species. The comparison between the results obtained by the two techniques allows us to highlight the role of the plume-gas interaction in affecting cations stoichiometry. Our results indicate that, in the considered pressure range, the background oxygen pressure affects the cations stoichiometry of the LAO films, besides determining their oxygen content.
Bulk photovoltaic effect at infrared wavelength in strained Bi2Te3 films
Authors: Liu Yucong , Chen Jiadong , Wang Chao , Deng Huiyong , Zhu Da-Ming , Hu Gujin , Chen Xiaoshuang , Dai Ning
Published: December 2016

As a prominent three-dimensional (3-D) topological insulator, traditional thermoelectric material Bi2Te3 has re-attracted greater interest in recent years. Herein, we demonstrate for the first time that c-axis oriented strained Bi2Te3 films exhibit the bulk photovoltaic effect (BPVE) at infrared wavelengths, which was only found in wide band-gap ferroelectric materials before. Moreover, further experiments show that the bulk photovoltaic effect probably comes from the flexoelectric effect which was induced by the stress gradient in strained Bi2Te3 films. And we anticipate that the results are generalizable to other layer-structured or two-dimensional (2-D) materials, e.g., Bi2Se3 and MoS2.
Simulating the hydrodynamics of self-propelled colloidal clusters using Stokesian dynamics
Authors: El Hasadi Yousef M. F. , Crapper Martin
Published: December 2016

Self-propelled clusters are involved in many technological applications such as in material science and biotechnology, and understanding their interaction with the fluid that surrounds them is of a great importance. We present results of swimming velocity and energy dissipation obtained through Stokesian dynamics simulations of self-propelled clusters. The clusters are of diffusion limited aggregates, consisting of force- and torque-free spherical particles. The number of particles per cluster ranges from 100 to 400, and with two fractal dimensions of 2.1 and 2.4. The clusters are self-propelled by imposing an explicit gait velocity applied in the x, y, and z directions. It is found that the swimming velocity of the cluster and the energy dissipation are strongly dependent on the number of particles in the cluster and its fractal dimension and on the orientation of the imposed explicit gait velocity. It was found that the rotational velocity of the self-propelled clusters decreases as the number of particles within the cluster is increased, in line with experimental observations reported recently in the literature.
Enhanced thermoelectric properties of Ga and In Co-added CoSb3-based skutterudites with optimized chemical composition and microstructure
Authors: Choi Seongho , Kurosaki Ken , Li Guanghe , Ohishi Yuji , Muta Hiroaki , Yamanaka Shinsuke , Maeshima Satoshi
Published: December 2016

Skutterudite compounds such as Co antimonite (CoSb3) contain cage-like voids inside crystal structure, which can be completely or partially filled with various different atoms, including group 13 elements. The multiple filling approach is known as an effective way of reducing lattice thermal conductivity (κlat), which results in a high value of the thermoelectric dimensionless figure of merit (zT). In this work, enhanced zT was achieved for the Ga and In co-added CoSb3 samples with a preferable microstructure and the nominal composition (Ga0.8In0.2)xCo4Sb12 (x = 0.05−0.45). Although all added In atoms occupied exclusively the void sites, the Ga species filled both the void and Sb sites of CoSb3. Moreover, Ga atoms added in the quantities exceeding the solubility limit precipitated as GaSb nanoparticles. The sample with x = 0.45 was characterized by the largest filling factions of Ga and In as well as the unique microstructure, consisting of microscale grains of the skutterudite phase and corresponding amounts of the GaSb nanoparticles. The Ga and In co-added skutterudite samples with optimized chemical composition and microstructure maintained high carrier mobility and sufficiently low κlat values, resulting in zT > 1.1, one of the best values for the skutterudites filled with group 13 elements.
Vortex ratchet effects in a superconducting asymmetric ring-shaped device
Authors: Ji Jiangdong , Yuan Jie , He Ge , Jin Biaobing , Zhu Beiyi , Kong Xiangdong , Jia Xiaoqing , Kang Lin , Jin Kui , Wu Peiheng
Published: December 2016

We investigate the vortex ratchet effects in a superconducting asymmetric ring-shaped NbN device. Through transport measurements, we find that the rectified dc voltages are significantly enhanced, and we observe time-dependent asymmetric voltage waveforms over a single cycle. Our vortex ratchet device operates over a wide range of temperatures, critical currents, and magnetic fields. We demonstrate that in this asymmetric structure giant ratchet effects are mainly caused by the collective behavior of vortices, which differs clearly from one-particle vortex effects studied in conventional vortex ratchet systems.