bluuebunny/crossref_metadata_2025_split huggingface dataset:
Influence of impurity defects on vibrational and electronic structure of graphene
Authors: Sagalianov I.Y. , Prylutskyy Y.I. , Tatarenko V.A. , Radchenko T.M. , Sudakov O.O. , Ritter U. , Scharff P. , Le Normand F. 
Published: March 2013

AbstractUsing the ab initio methods, boron or nitrogen doping effects on the characteristics of electron and vibrational spectrums of graphene are studied. We revealed that a mutual arrangement at the largest distance from each other is energy‐preferred for these dopant atoms. Depending on their kind, one can regulate conductance and raise values of fundamental frequencies of the Raman scattering in graphene.
Temperature‐driven shifts in the epibiotic bacterial community composition of the brown macroalga Fucus vesiculosus
Authors: Stratil Stephanie B , Neulinger Sven C , Knecht Henrik , Friedrichs Anette K , Wahl Martin 
Published: March 2013

AbstractThe thallus surface of the brown macroalga Fucus vesiculosus is covered by a specific biofilm community. This biofilm supposedly plays an important role in the interaction between host and environment. So far, we know little about compositional or functional shifts of this epibiotic bacterial community under changing environmental conditions. In this study, the response of the microbiota to different temperatures with respect to cell density and community composition was analyzed by nonculture‐based methods (denaturing gradient gel electrophoresis and 454 pyrosequencing of the 16S rRNA gene). Redundancy analysis showed that despite high variability among host individuals temperature accounted for 20% of the variation in the bacterial community composition, whereas cell density did not differ between groups. Across all samples, 4341 bacterial operational taxonomic units (OTUs) at a 97% similarity level were identified. Eight percent of OTUs were significantly correlated with low, medium, and high temperatures. Notably, the family Rhodobacteraceae increased in relative abundance from 20% to 50% with increasing temperature. OTU diversity (evenness and richness) was higher at 15°C than at the lower and higher temperatures. Considering their known and presumed ecological functions for the host, change in the epibacterial community may entail shifts in the performance of the host alga.
Action‐effect binding is decreased in motor conversion disorder: Implications for sense of agency
Authors: Kranick Sarah M. , Moore James W. , Yusuf Nadia , Martinez Valeria T. , LaFaver Kathrin , Edwards Mark J. , Mehta Arpan R. , Collins Phoebe , Harrison Neil A. , Haggard Patrick , Hallett Mark , Voon Valerie 
Published: March 2013

ABSTRACTThe abnormal movements seen in motor conversion disorder are affected by distraction and entrainment, similar to voluntary movement. Unlike voluntary movement, however, patients lack a sense of control for the abnormal movements, a failure of “self‐agency.” The action‐effect binding paradigm has been used to quantify the sense of self‐agency, because subjective contraction of time between an action and its effect only occurs if the patient feels that they are the agent responsible for the action. We used this paradigm, coupled with emotional stimuli, to investigate the sense of agency with voluntary movements in patients with motor conversion disorder. Twenty patients with motor conversion disorder and 20 age‐matched and sex‐matched healthy volunteers used a rotating clock to judge the time of their own voluntary key presses (action) and a subsequent auditory tone (effect) after they completed conditioning blocks in which high, medium, and low tones were coupled to images of happy, fearful, and neutral faces. The results replicated those produced previously: it was reported that an effect after a voluntary action occurred earlier, and the preceding action occurred later, compared with trials that used only key presses or tones. Patients had reduced overall binding scores relative to healthy volunteers, suggesting a reduced sense of agency. There was no effect of the emotional stimuli (faces) or other interaction effects. Healthy volunteers with subclinical depressive symptoms had higher overall binding scores. We demonstrate that patients with motor conversion disorder have decreased action‐effect binding for normal voluntary movements compared with healthy volunteers, consistent with the greater experience of lack of control. © 2013 Movement Disorder Society
Better global and cognitive functioning in choreatic versus hypokinetic‐rigid Huntington's disease
Authors: Hart Ellen P. , Marinus Johan , Burgunder Jean‐Marc , Bentivoglio Anna Rita , Craufurd David , Reilmann Ralf , Saft Carsten , Roos Raymund A.C. ,   the REGISTRY Investigators of the European Huntington's Disease Network
Published: March 2013

BackgroundUnderstanding the relation between predominantly choreatic and hypokinetic‐rigid motor subtypes and cognitive and general functioning may contribute to knowledge about different motor phenotypes in Huntington's disease.MethodsIn the European Huntington's Disease Network Registry study, 1882 subjects were classified as being predominantly choreatic (n = 528) or hypokinetic‐rigid (n = 432), according to their scores on items of the total motor score a priori labeled as choreatic or hypokinetic‐rigid; the other 922 patients were of a mixed type. The relationship between motor type and cognitive (verbal fluency, symbol digit modalities, Stroop color, word and interference tests) and functional (total functional capacity) capacity was investigated using multiple linear regression.ResultsMotor subtype contributed significantly to the total functional capacity score (partial r2: 7.8%; P < .001) and to the 5 cognitive scores (partial r2 ranged from 2.0% to 8.4%; all P < .001).ConclusionsPatients with a predominantly choreatic motor phenotype performing better in all areas than patients with a hypokinetic‐rigid motor phenotype. © 2013 Movement Disorder Society
The relationship between aerobic fitness level and metabolic profiles in healthy adults
Authors: Morris Ciara , Grada Colm O. , Ryan Miriam , Roche Helen M. , De Vito Giuseppe , Gibney Michael J. , Gibney Eileen R. , Brennan Lorraine 
Published: March 2013

ScopeApplication of metabolomics to nutrition and health research is increasing and while much effort has been invested in understanding factors that influence the metabolomic profile there is relatively little known about the impact of fitness level. This study aimed to examine the relationship between fitness level, substrate oxidation rates, and the metabolic profile.Methods and resultsTwo hundred and fourteen healthy adults (18–60 years) were recruited and 65 subjects were selected based on their estimated maximal oxygen consumption levels. Metabolomic analysis was performed. The subjects were split into fitness groups according to their maximal oxygen consumption levels (mL/kg/min) and analysis revealed significant differences in normalized fat and carbohydrate oxidation levels between the groups. Urinary metabolomic analysis revealed significantly different profiles in the groups with 15 amino acids significantly higher in the low fitness groups. Effects of fitness level in the plasma metabolic profiles were also demonstrated.ConclusionThis study demonstrates a relationship between fitness level and the amino acid profile. Moreover, the metabolite changes show that a reduced excretion of amino acids in adults is associated with increased fitness levels and an increased fat oxidation rate during exercise. Interestingly, higher levels of branched chain amino acids were associated with lower fitness levels and higher insulin resistance.
Dietary wolfberry upregulates carotenoid metabolic genes and enhances mitochondrial biogenesis in the retina of db/db diabetic mice
Authors: Yu Huifeng , Wark Logan , Ji Hua , Willard Lloyd , Jaing Yu , Han Jing , He Hui , Ortiz Edlin , Zhang Yunong , Medeiros Denis M. , Lin Dingbo 
Published: March 2013

ScopeOur aim was to investigate whether dietary wolfberry altered carotenoid metabolic gene expression and enhanced mitochondrial biogenesis in the retina of diabetic mice.Methods and resultsSix‐week‐old male db/db and wild‐type mice were fed the control or wolfberry diets for 8 weeks. At study termination, liver and retinal tissues were collected for analysis by transmission electron microscopy, real‐time PCR, immunoprecipitation, Western blot, and HPLC. Wolfberry elevated zeaxanthin and lutein levels in the liver and retinal tissues and stimulated expression of retinal scavenger receptor class B type I, glutathione S‐transferase Pi 1, and β,β‐carotene 9′,10′‐oxygenase 2, and induced activation and nuclear enrichment of retinal AMP‐activated protein kinase α2 (AMPK‐α2). Furthermore, wolfberry attenuated hypoxia and mitochondrial stress as demonstrated by declined expression of hypoxia‐inducible factor‐1‐α, vascular endothelial growth factor, and heat shock protein 60. Wolfberry enhanced retinal mitochondrial biogenesis in diabetic retinas as demonstrated by reversed mitochondrial dispersion in the retinal pigment epithelium, increased mitochondrial copy number, elevated citrate synthase activity, and upregulated expression of peroxisome proliferator‐activated receptor γ co‐activator 1α, nuclear respiratory factor 1, and mitochondrial transcription factor A.ConclusionConsumption of dietary wolfberry could be beneficial to retinoprotection through reversal of mitochondrial function in diabetic mice.
Accelerated MR diffusion tensor imaging using distributed compressed sensing
Authors: Wu Yin , Zhu Yan‐Jie , Tang Qiu‐Yang , Zou Chao , Liu Wei , Dai Rui‐Bin , Liu Xin , Wu Ed X. , Ying Leslie , Liang Dong 
Published: March 2013

PurposeDiffusion tensor imaging (DTI) is known to suffer from long acquisition time in the orders of several minutes or even hours. Therefore, a feasible way to accelerate DTI data acquisition is highly desirable. In this article, the feasibility and efficacy of distributed compressed sensing to fast DTI is investigated by exploiting the joint sparsity prior in diffusion‐weighted images.MethodsFully sampled DTI datasets were obtained from both simulated phantom and experimental heart sample, with diffusion gradient applied in six directions. The k‐space data were undersampled retrospectively with acceleration factors from 2 to 6. Diffusion‐weighted images were reconstructed by solving an l2‐l1 norm minimization problem. Reconstruction performance with varied signal‐to‐noise ratio and acceleration factors were evaluated by root‐mean‐square error and maps of reconstructed DTI indices.ResultsSuperiority of distributed compressed sensing over basic compressed sensing was confirmed with simulation, and the reconstruction accuracy was influenced by signal‐to‐noise ratio and acceleration factors. Experimental results demonstrate that DTI indices including fractional anisotropy, mean diffusivities, and orientation of primary eigenvector can be obtained with high accuracy at acceleration factors up to 4.ConclusionDistributed compressed sensing is shown to be able to accelerate DTI and may be used to reduce DTI acquisition time practically. Magn Reson Med 71:763–772, 2014. © 2013 Wiley Periodicals, Inc.
Parametric code for generation of finite‐element model of nonwovens accounting for orientation distribution of fibres
Authors: Sabuncuoglu Baris , Acar Memis , Silberschmidt Vadim V. 
Published: March 2013

SUMMARYA novel finite‐element modelling code developed to investigate the structural behaviour of nonwoven materials is presented. The technique allows modelling of a nonwoven fabric as a continuous–discontinuous medium with a given pattern of bond points and a large number of constituent fibres with arbitrary orientation distribution. The parametric feature of the code provides automatic modelling of nonwoven materials according to design parameters in a very efficient way. The effect of fibre length is also included for the first time in a finite element model of a nonwoven. The developed code is very flexible and it is possible to be extended to further studies such as damage behaviour.Copyright © 2013 John Wiley & Sons, Ltd.
A new analytical method for solving a class of nonlinear optimal control problems
Authors: Matinfar M. , Saeidy M. 
Published: March 2013

SUMMARYIn this paper, we introduce a new analytic technique for a class of nonlinear optimal control problems and present a theorem of convergence of the method. In this scheme, first, the original optimal control problem is transformed into a nonlinear two‐point boundary value problem via the Pontryagin's maximum principle, and then, we apply a new method for solving two‐point boundary value problem. The proposed modification is made by introducing He's polynomials in the correction functional. The suggested algorithm is quite efficient and is practically well suited for using in these problems. The proposed iterative scheme finds the solution without any discretization, linearization, or restrictive assumptions. Copyright © 2013 John Wiley & Sons, Ltd.
Copper chloride‐doped polyaniline/multiwalled carbon nanotubes nanocomposites: Superior electrode material for supercapacitor applications
Authors: Dhibar Saptarshi , Sahoo Sumanta , Das C.K. 
Published: March 2013

AbstractIn this study, copper chloride (CuCl2)‐doped polyaniline (PANI)/multiwalled carbon nanotubes (MWCNTs) nanocomposite (PANI C2 CNT), CuCl2‐doped PANI (PANI C2) and pure PANI was synthesized by in situ oxidative polymerization method, using ammonium peroxodisulfate as oxidant in HCl medium. These composites were investigated as electrode materials for supercapacitors. The interaction of metal cation (Cu2+) with PANI was confirmed by Fourier transform infrared spectroscopy. The morphology of the composites was characterized by field‐emission scanning electron microscopy and high‐resolution transmission electron microscopy analysis. Electrochemical characterizations of the materials were carried out by three electrode probe method, where platinum and saturated standard calomel electrode were used as counter and reference electrode, respectively. 1 M KCl solution was used as electrolyte for all the electrochemical characterizations. The transition metal ion doping enhanced the electrochemical properties of the conducting polymer. Among all the composites, CuCl2‐doped PANI/MWCNT showed highest specific capacitance value of 724 F/g at 10 mV s−1 scan rate. The Nyquist plot of the polymeric materials showed low equivalent series resistance of the electrode materials. Thermal stability of the composites was examined by thermogravimetric analysis.POLYM. COMPOS., 2013. © 2013 Society of Plastics Engineers
Preparation of thermosensitive, calix[4]arene incorporated P(NIPAM‐co‐HBCalix) hydrogel as a reusable adsorbent of nickel(II) ions
Authors: Yan Fanyong , Wang Meng , Cao Donglei , Guo Shanshan , Chen Li 
Published: March 2013

ABSTRACTA calix‐conjugated thermo‐responsive hydrogel containing 15% tetra(5‐hexenyloxy)‐p‐tert‐butylcalix[4]arene (HBCalix), P(NIPAM‐co‐HBCalix), was used to remove nickel(II) ions from water. Both thermo‐sensitive properties and the Ni2+‐adsorption capabilities of the prepared P(NIPAM‐co‐HBCalix) hydrogels are investigated. Introduction of the monomer HBCalix considerably enhanced the adsorption of Ni2+ onto the hydrogel by chelation between hexenyloxy groups and metal ion. When HBCalix units capture Ni2+ and forms HBCalix/Ni2+ host–guest complexes, the lower critical solution temperature of the hydrogel shifts to a higher temperature due to both the repulsion between charged HBCali/Ni2+ groups and the osmotic pressure within the hydrogel. Adsorption studies were carried out by varying contact time, counter ion and initial concentration of Ni2+. The evaluation of adsorption properties showed that the hydrogel exhibited better correlation with Langmuir isotherm model. P(NIPAM‐co‐HBCalix) could be used repeatedly with little loss in adsorption capacity by simply changing the environmental temperature. This kind of ion‐recognition hydrogel is promising as a novel adsorption material for adsorption and separation of Ni2+ ions. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013, 51, 2401–2408
Copolyesters of isosorbide, succinic acid, and isophthalic acid: Biodegradable, high Tg engineering plastics
Authors: Chatti Saber , Weidner Steffen M. , Fildier Aurelie , Kricheldorf Hans R. 
Published: March 2013

ABSTRACTIsosorbide, succinyl chloride and isophthaloyl chloride are polycondensed under various reaction conditions. The heating in bulk with or without catalysts as well in an aromatic solvent without catalyst, and polycondensation with the addition of pyridine only yield low molar mass copolyesters. However, heating in chlorobenzene with addition of SnCl2 or ZnCl2 produces satisfactory molar masses. The number average molecular weights (Mn) of most copolyesters fall into the range of 7000–15,000 Da with polydispersities (PD) in the range of 3–9. The MALDI‐TOF mass spectra almost exclusively displayed peaks of cyclics indicating that the chain growth was mainly limited by cyclization and not by side reactions, stoichiometric imbalance or incomplete conversion. The glass‐transition temperatures increased with the content of isophthalic acid from 75 to 180 °C and the thermo‐stabilities also followed this trend. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013, 51, 2464–2471
Helping Her Heal‐Group: a pilot study to evaluate a group delivered educational intervention for male spouses of women with breast cancer
Authors: Jones Jennifer M. , Lewis Frances Marcus , Griffith Kristin , Cheng Terry , Secord Scott , Walton Tara , Bernstein Lori J. , Maheu Christine , Catton Pamela 
Published: March 2013

AbstractBackgroundDistress in husbands of women with early‐stage breast cancer may be equivalent to or even higher than their wives. Husbands often struggle to help and support their wives cope with the illness and its treatment. In response, we developed a five‐session group educational counselling intervention (Helping Her Heal‐Group (HHH‐G)) for husbands of women with early‐stage breast cancer. The primary aim of the current pilot study was to determine the acceptability and feasibility of HHH‐G and to obtain a preliminary estimate of its impact on participating men's skills, self‐confidence and self care. Secondary aims were to assess the impact of the intervention on both the participating spouses' and wives' ratings of marital quality and depressed mood.MethodsThe study employed a one‐arm, pre–post‐intervention design whereby participating men (n = 54) and their wives (n = 54) independently completed measures at baseline (T0), immediately following the last session (T1) and 3 months after the last session (T2).ResultsOverall, there was very high study retention (87%). On the basis of the questionnaire data, we found significant improvements in spouses' self‐efficacy (p < 0.001) and self‐reported skills including wife support (p = 0.003) and self‐care (p < 0.001). In addition, there was a significant improvement in wives' mood scores (p = 0.003). Post‐intervention interviews support acceptability and impact of the HHH‐G intervention, and provide support for the group format of the program.ConclusionsThe feasibility and acceptability of HHH‐G was supported, and treatment outcomes suggest the potential benefits of the intervention. Phase III evaluation of HHH‐G program is warranted. Copyright © 2013 John Wiley & Sons, Ltd.
Structural defects and magnetic properties of gadolinium silicide nanoparticles synthesized by laser ablation technique in liquid
Authors: Tarasenka Natalie , Butsen Andrei , Pankov Vladimir , Tarasenko Nikolai 
Published: March 2013

AbstractMagnetic nanoscale compounds and alloys of gadolinium are promising materials for technological and medical applications. In this paper the influence of structural defects on the properties of the binary GdSi nanopowders formed in laser ablation and post‐irradiation processes have been investigated. To obtain compound GdSi nanoparticles (NPs) we used laser ablation of a combined target consisting of Gd and Si plates tightly pressed to each other with focusing a laser beam onto the gadolinium–silicon interface. The crystalline structure, phase composition of the NPs formed were examined by SEM and X‐ray diffraction (XRD). Magnetic measurements showed that the resulting NPs did not exhibit hysteresis at low temperature (6 K), which is typical to nanosized magnetic materials demonstrating superparamagnetic behavior. Magnetization increased after laser processing of the samples due to ordering in the grain structure and in the magnetic moments at the surface. magnified image
The energies of the substitutional impurities in graphene
Authors: Sierański K. , Szatkowski J. 
Published: March 2013

AbstractThe properties of the substitutional impurities of the second period of the periodic table incorporated into graphene were investigated. The Green's‐functions framework and the tight‐binding method without the effect of the lattice distortion were used. We discuss the possibility of the existence of well‐defined resonant states in the valence band or the conduction band in the vicinity of the Dirac point. We conclude that in the vicinity of the Dirac point there was a possibility of a coincidence of the Fermi energy levels with impurity resonances (i.e., the Fermi level is pinned to the impurity resonance level.)
Raman scattering and disorder effect in Cu2ZnSnS4
Authors: Valakh M. Y. , Kolomys O. F. , Ponomaryov S. S. , Yukhymchuk V. O. , Babichuk I. S. , Izquierdo‐Roca V. , Saucedo E. , Perez‐Rodriguez A. , Morante J. R. , Schorr S. , Bodnar I. V. 
Published: March 2013

AbstractThe Raman spectra of surface regions of bulk Cu2ZnSnS4 (CZTS) samples with different Cu and Zn cation content were obtained and the differences in the spectra are attributed to statistical disorder effects in the cation sublattice. This disorder in the Cu and Zn sublattices may initiate a change of the crystal symmetry from kesterite‐type $({I\bar 4})$ to $({I\bar 42m})$ space group. The investigated CZTS crystals grown at high temperature are characterised by the co‐existence of regions with different composition ratio of Cu/(Zn + Sn) which results in kesterite and disordered kesterite phases. The presence of a disordered phase with ${I\bar 42m}$ symmetry is reflected in the appearance of a dominant broadened A‐symmetry peak at lower frequency than the peak of the main A‐symmetry kesterite mode at 337 cm–1. We suppose that due to a small energy barrier between these phases the transition from one phase to the other can be stimulated by optical excitation of Cu2ZnSnS4. The analysis of the Raman spectra measured under different excitation conditions has allowed obtaining first (to our knowledge) experimental evidence of the existence of such optically induced structural transition in CZTS. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Multi‐peak and chromaticity‐stable top‐emitting white organic light‐emitting diodes using single blue emitter
Authors: Zhu Wenqing , Wu Xiaoliang , Sun Wenbing , Li Jiaheng , Xiong Linghao , Cao Jin 
Published: March 2013

AbstractWe have fabricated multi‐peak and chromaticity‐stable top‐emitting white organic light‐emitting diodes (TEWOLEDs) using single blue emitter. Besides the intrinsic emission of blue emitter, the additional emission can be well realized by simply adjusting the thickness of hole transporting layer (HTL), thus modifying the optical cavity length to obtain different resonant wavelengths. The detailed variation process for multi‐peak spectra with the increase of HTL thickness is studied, which provides a guidance for the design of microcavity TEWOLEDs.magnified image(© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)