bluuebunny/crossref_metadata_2025_split huggingface dataset:
Porous‐Resin‐Supported Calcium Sulfate Materials for Thermal Energy Storage
Authors: Huang Hongyu , Li Jun , Huhetaoli  , Osaka Yugo , Wang Chenguang , Kobayashi Noriyuki , He Zhaohong , Deng Lisheng 
Published: August 2016

AbstractA new porous‐resin‐supported calcium sulfate (CaSO4‐PSM) material with high‐density and high reactivity for chemical heat storage is developed and characterized. The newly developed CaSO4‐PSM exhibits a higher reactivity than normal CaSO4. Furthermore, the particle diameter is an important factor for the development of new chemical thermal energy storage (CTES) material. CaSO4‐PSM exhibits good performance in the hydration and dehydration processes when used as a CTES material. The hydration reaction rate of the particle with a diameter of 75 μm is 13.3 times of that of 750 μm, whereas, the dehydration reaction velocity is approximately 1.5 times higher. This finding is due to more abundant favorable pore channels for vapor transport and a larger specific surface area. Aggregation of the CaSO4 particles before and after repetitive operations can be eliminated, and a good durability of the new porous supported thermal energy storage material of CaSO4 can be obtained.
Scalable Fabrication of Flexible Solid‐State Asymmetric Supercapacitors with a Wide Operation Voltage utilizing Printable Carbon Film Electrodes
Authors: Zhong Yan , Shi Tielin , Liu Zhiyong , Huang Yuanyuan , Cheng Siyi , Cheng Chaoliang , Li Xiaoping , Liao Guanglan , Tang Zirong 
Published: August 2016

AbstractThe rapid development of portable electronics has put great demand on flexible energy‐storage devices, such as solid‐state supercapacitors (SCs). However, the scalable fabrication of flexible SCs is still an issue. Herein, a simple and low‐temperature route for the scalable fabrication of flexible SCs is presented. First, a printable process is developed to fabricate a carbon film electrode on graphite paper, which serves as the anode. Then, the cathode is fabricated by electrodepositing MnO2 on the carbon film. Utilizing LiCl/polyvinyl alcohol (PVA) as a solid‐state electrolyte, the assembled device exhibits excellent electrochemical performance even in a bent state or under high‐temperature conditions. The operating voltage of the device is extended to 2.0 V. An energy density of 0.766 mWh cm−3, 91.4 % retention of the initial capacitance after 4000 cycles, and stable capacitive behavior at different bent angles can be achieved. At 60 °C, 97.7 % of the initial capacitance is retained after 2000 cycles. This printable process with simple, low‐costing, and low‐temperature features holds promise for applications in the scalable fabrication of flexible carbon‐based SCs.
A comparative study and unification of two methods for controlling dynamically substructured systems
Authors: Stoten David Paul 
Published: August 2016

SummaryThis paper addresses the problem of advanced testing of systems via the principle of dynamic substructuring. Use is made of the hybrid simulation (HS) scheme framework to develop a new method of synthesis for the dynamically substructured system (DSS) scheme of Stoten and Hyde. Principal reasons for doing this are (i) to improve upon the original method of DSS synthesis by adopting the more intuitive framework of HS and (ii) to enable the amalgamation of HS and DSS into a unified substructured system (USS) scheme, so that the significant advantages of DSS can be incorporated into an existing HS scheme as a straightforward retrofit. Having established the common framework for HS/DSS, the paper also illustrates, by way of an example, compensator/controller synthesis for the two schemes, together with their advantages and disadvantages. In doing this, both schemes are retained in their basic forms, that is, there are no additional control embellishments used in this work, such as delay compensation, adaptive control, or other advanced control methods. In order to maintain as much transparency as possible, use is made of well‐known classical control techniques. Common problems associated with the substructure testing technique are also investigated, including the effects of physical parameter uncertainty, pure delays in signals, and a ‘split‐mass’ in the substructure formulation. It is shown that, although the new formulation of controlled DSS requires more design effort than compensated‐HS, the advantages of DSS in terms of stability and robustness significantly outweigh this small disadvantage at the design stage. Copyright © 2016 John Wiley & Sons, Ltd.
Fuel Cell Modeling Strategic Roadmap: A Systematic Approach
Authors: Kompis C. , Malek K. 
Published: August 2016

AbstractPolymer electrolyte fuel cells (PEFCs) are promising electrochemical devices for the direct conversion of chemical energy of a fuel into useful electrical work with vast applications in automotive, stationary, and autonomous power. It is widely recognized that progress in PEFC technology is a multi‐disciplinary challenge and hinges on Research and Development (R&D) breakthroughs in design, fabrication, and implementation of innovative materials, processes, and system optimization. Fuel cell modeling, in particular, has been the subject of intense research in the past two decades, as it is of great importance to design and process optimizations. Building upon the insights obtained in a European Collaborative Research Program, we present an analysis of fuel cell modeling R&D roadmap by focusing on technical and market attributes and the inter‐relations therein. The roadmap is driven by three distinct outcomes – alpha, beta and commercial versions, reflecting the maturity of the multi‐scale software. All roadmap entries are organized in layers, namely Market and Business; Services; Products; High Level Targets; Technology; Science; and Enablers and Resources. This study contributes to a much needed foundation for further planning of potential R&D and demonstration projects of fuel cells for automotive and other emerging sectors.
Observations on conducting whole‐cell patch clamping of the hERG cardiac K+ channel in pure human serum
Authors: Kang Jiesheng , Luo Yongyi , Searles Michelle , Rampe David 
Published: August 2016

AbstractInhibition of the human ether‐a‐go‐go‐related gene (hERG) K+ channel by drugs leads to QT prolongation on the electrocardiogram and can result in serious cardiac arrhythmia. For this reason, screening of drugs on hERG is mandatory during the drug development process. Patch clamp electrophysiology in a defined physiological saline solution (PSS) represents the standard method for assaying drug effects on the channel. To make the assay more translatable to clinical studies, we have conducted whole‐cell patch clamping of hERG using pure human serum as the extracellular medium. Pure human serum had little effect on the hERG channel waveform or the current–voltage relationship when compared to PSS. hERG current recordings were highly stable in serum at room temperature, but prolonged recordings at the physiological temperature required prior heat inactivation of the serum. Compared to PSS, the IC50 values, conducted at room temperature, of the classic hERG blocking drugs cisapride, moxifloxacin, and terfenadine were shifted to the right by an extent predicted by their known plasma protein binding, but we did not detect any differences in IC50s between male and female serum. Total plasma levels of these drugs associated with clinical QT prolongation corresponded to small (<15%) inhibition of hERG current in pure serum suggesting that minor inhibition of the channel leads to observable pharmacodynamic effects. Conducting whole‐cell patch clamping of hERG in human serum has the potential to make the assay more translatable to clinical studies and improve its predictive value for safety testing. Copyright © 2016 John Wiley & Sons, Ltd.
Decomposition of Bicolored Square Arrays into Bichromatic Diagonals
Authors: Kotlar Dani , Ziv Ran 
Published: August 2016

AbstractLet M be an array (), where each of its cells is colored in one of two colors. We give a necessary and sufficient condition for the existence of a partition of M into n diagonals, each containing at least one cell of each color. As a consequence, it follows that if each color appears in at least cells, then such a partition exists. The proof uses results on completion of partial Latin squares.
Computational Approaches to the Chemical Equilibrium Constant in Protein‐ligand Binding
Authors: Montalvo‐Acosta Joel José , Cecchini Marco 
Published: August 2016

AbstractThe physiological role played by protein‐ligand recognition has motivated the development of several computational approaches to the ligand binding affinity. Some of them, termed rigorous, have a strong theoretical foundation but involve too much computation to be generally useful. Some others alleviate the computational burden by introducing strong approximations and/or empirical calibrations, which also limit their general use. Most importantly, there is no straightforward correlation between the predictive power and the level of approximation introduced. Here, we present a general framework for the quantitative interpretation of protein‐ligand binding based on statistical mechanics. Within this framework, we re‐derive self‐consistently the fundamental equations of some popular approaches to the binding constant and pinpoint the inherent approximations. Our analysis represents a first step towards the development of variants with optimum accuracy/efficiency ratio for each stage of the drug discovery pipeline.
An automatic method for generating carbon nanostructure atomistic models using hexagonal meshes with properly distributed defects
Authors: Shang Feifei , Zeng Zhen , Liu Jianfei , Chen Tingfei 
Published: August 2016

SummaryAtomistic models, which are crucial for performing molecular dynamics simulations of carbon nanostructures, consist of virtual hexagonal meshes with defects properly distributed in the intersectional areas. Currently, atomistic models are created mostly by hand, which is a notably tedious and time‐consuming process. In this paper, we develop a method that produces atomistic models automatically. Because a hexagonal mesh and triangulation represent dual graphs, our work focuses on the creation of proper triangulation. The edge lengths of the triangulation should be compatible with the lengths of the C–C bonds, and vertices with valences other than 6 (due to the defects in the hexagonal mesh) should be properly arranged around the boundaries of the different components of a carbon nanostructure. Two techniques play important roles in our method: (1) sphere packing is used to place the nodes for triangulation that produces nearly constant edge lengths of the triangles and (2) the movement and editing of defects is used to control the number and positions of the defects. We subsequently develop a computer program based on this method that can create models much easier and faster than the current handwork method, thereby reducing the operation time significantly. Copyright © 2016 John Wiley & Sons, Ltd.
Comparison of second transplantation and donor lymphocyte infusion for donor mixed chimerism after allogeneic stem cell transplantation for nonmalignant diseases
Authors: Umeda Katsutsugu , Adachi Souichi , Tanaka Shiro , Miki Mizuka , Okada Keiko , Hashii Yoshiko , Inoue Masami , Cho Yuko , Koh Katsuyoshi , Goto Hiroaki , Kajiwara Ryosuke , Hyakuna Nobuyuki , Kato Koji , Morio Tomohiro , Yabe Hiromasa ,   on behalf of the Inherited Disease Working Group of the Japan Society for Hematopoietic Cell Transplantation
Published: August 2016

AbstractBackgroundDonor mixed chimerism (MC) is an increasing problem after hematopoietic stem cell transplantation (HSCT) for nonmalignant diseases.ProcedureIn this study, a self‐administered questionnaire was used to retrospectively compare efficacy and safety in 49 patients undergoing second HSCT (n = 13) or donor lymphocyte infusion (DLI; n = 36) as treatment for MC.ResultsThe response rate to DLI of patients with secondary graft failure (GF) (25.0%) was significantly lower than that of patients without secondary GF (81.3%; P = 0.041). Among patients undergoing DLI, the rates of successful response were significantly higher in patients having at least 30% donor chimerism (94.1%) than in patients having less than 30% donor chimerism (61.1%; P = 0.041). Furthermore, the rates of successful response were significantly higher in patients receiving larger first or maximum doses of DLI. Sixteen (50.0%) of 32 patients without secondary GF attained complete chimerism after DLI. The cumulative incidence of grade II–IV acute graft‐versus‐host disease and cytopenia was 37.6 and 26.1%, respectively.ConclusionsDLI yields promising response rates in most patients with higher donor chimerism levels, whereas second HSCT is more likely to benefit patients with lower donor chimerism levels.
Prenatal whole exome sequencing: the views of clinicians, scientists, genetic counsellors and patient representatives
Authors: Quinlan‐Jones Elizabeth , Kilby Mark D. , Greenfield Sheila , Parker Michael , McMullan Dominic , Hurles Matthew E. , Hillman Sarah C. 
Published: August 2016

AbstractObjectiveFocus groups were conducted with individuals involved in prenatal diagnosis to determine their opinions relating to whole exome sequencing in fetuses with structural anomalies.MethodFive representatives of patient groups/charities (PRGs) and eight clinical professionals (CPs) participated. Three focus groups occurred (the two groups separately and then combined). Framework analysis was performed to elicit themes. A thematic coding frame was identified based on emerging themes.ResultsSeven main themes (consent, analysis, interpretation/reinterpretation of results, prenatal issues, uncertainty, incidental findings and information access) with subthemes emerged. The main themes were raised by both groups, apart from ‘analysis’, which was raised by CPs only. Some subthemes were raised by PRGs and CPs (with different perspectives). Others were raised either by PRGs or CPs, showing differences in patient/clinician agendas.ConclusionsPrenatal consent for whole exome sequencing is not a ‘perfect’ process, but consent takers should be fully educated regarding the test. PRGs highlighted issues involving access to results, feeling that women want to know all information. PRGs also felt that patients want reinterpretation of results over time, whilst CPs felt that interpretation should be performed at the point of testing only. © 2016 John Wiley & Sons, Ltd.
Size‐controlled preparation of nanosoy for potential biomedical applications
Authors: Singh Surabhi , Gupta Bhuvanesh 
Published: August 2016

AbstractSoy protein isolate nanoparticles (nanosoy) have significant applications in drug delivery, wound care systems and tissue engineering. We report an optimum technique named nanoprecipitation which enabled one‐step formation of near‐monodisperse nanosoy based on solvent displacement. Excellent control over protein aggregation was achieved, producing nanoparticles in the size range of 5–15 nm. The effect of various process parameters such as temperature, solvent/non‐solvent ratio, crosslinker content and type of surfactant on the particle size was investigated. The structural and morphological features were analysed using dynamic light scattering, X‐ray diffraction and high‐resolution transmission electron microscopy. The morphological examination indicated that the particles formed were spherical in shape and further reduction in the average particle diameter was achieved by reducing the temperature and solvent/non‐solvent ratio of the reaction medium. Surface charge and stability of nanosoy dispersions were analysed using zeta potential measurements. Further, ciprofloxacin release was monitored using nanosoy as a drug carrier. This technique provides an effective and straightforward approach offering considerable advantages in terms of economic, technical and environmental performance. © 2016 Society of Chemical Industry
Copper(I)‐catalyzed reaction of unsymmetrical alkyne with HB(pin): a density functional theory study
Authors: Li Yan 
Published: August 2016

AbstractWith the aid of density functional theory calculations, we have investigated the mechanism of copper(I)‐catalyzed reaction between unsymmetrical alkyne 1‐phenyl‐1‐butyne and HB(pin). The results of the density functional theory calculations show that the reaction mechanism involves syn‐addition of catalyst ([NHC]CuH) (NHC = N‐heterocyclic carbene) to 1‐phenyl‐1‐butyne to form the alkenyl copper intermediates 2a and 5a, and then intermediates 2a and 5a react with HB(pin) to give intermediates 3 (3a, 3b) and 6 (6a, 6b), and finally elimination of catalyst completes the catalytic cycle and yields the α‐product P1 and β‐product P2. We found that α‐product should be more favored than β‐product. The calculated results are consistent with the experimental findings. The present paper may provide a useful guide for understanding other analogous copper‐catalyzed hydroboration of unsymmetrical alkynes.
Growth, Condition and Survival of Three Forage Fish Species Exposed to Two Different Experimental Hydropeaking Regimes in a Regulated River
Authors: Kelly B. , Smokorowski K. E. , Power M. 
Published: August 2016

AbstractHydroelectric dam operation can alter discharge and temperature patterns, impacting fish populations downstream. Previous investigations into the effects of river regulation on fish have focused on a single species within a river, yet different results among studies suggest the potential for species‐specific impacts. Here, we compare the impacts of two different hydropeaking regimes relative to a naturally flowing river on three ecologically important members of the forage fish community: longnose dace (Rhinichthys cataractae), slimy sculpin (Cottus cognatus) and trout‐perch (Percopsis omiscomaycus). Annual growth, estimated from otolith back‐calculations, was higher for each of the species in the regulated river relative to the naturally flowing river but did not differ between hydropeaking regimes. Condition was assessed using weight–length relationships and differed between rivers for each species, and between hydropeaking regimes for longnose dace and slimy sculpin. Survival of longnose dace and slimy sculpin was lower in the regulated river relative to the naturally flowing river, but comparable between rivers for trout‐perch. Annual growth was significantly related to mean summer discharge in the regulated river and to mean summer water temperature in the naturally flowing river for each species, and significantly different slopes among species indicate species‐specific responses to discharge and temperature alterations. This study demonstrates different biological responses among fish species within rivers to regulation in general, as well as to specific hydropeaking regimes. Future studies should focus on multiple species and multiple indicators of fish health to more fully characterize the impacts of river regulation on downstream fish communities. Copyright © 2016 John Wiley & Sons, Ltd.
Improving malware detection using multi‐view ensemble learning
Authors: Bai Jinrong , Wang Junfeng 
Published: August 2016

AbstractThe huge influx of new malware is created every day, and those malware have not been previously seen in the wild. Current anti‐virus software uses byte signature to identify known malware and has little hope of identifying new malware. Researchers have proposed several malware detection methods based on byte n‐grams, opcode n‐grams, and format information, and those methods partially capture the distinguishable information between benign and malicious programs. In this study, we design two schemes to incorporate the aforementioned three single‐view features and fully exploit complementary information of those features to discover the true nature of a program. Two datasets are used to evaluate new malware detection performance and generalization performance of the proposed schemes. Experimental results indicate that the proposed schemes increase the detection rate of new malware, improve the generalization performance of learning model, and reduce the false alarm rate to 0%. Because malware is hard to disguise itself in every feature view, the proposed schemes are more robust and not easy to be deceived. Copyright © 2016 John Wiley & Sons, Ltd.
Polycarbonate Composites Containing Carbon Encapsulated “Brick‐Like” Fe3O4 Nanoparticles as Efficient Microwave Absorbers with a Large Bandwidth
Authors: Pawar Shital P. , Gandi Mounika , Saraf Chinmay , Bose Suryasarathi 
Published: August 2016

AbstractThis study demonstrates lightweight microwave absorber materials designed using polycarbonate (PC) nanocomposites containing multiwall carbon nanotubes (MWNTs) and “brick‐like” lossy magnetic ferrite (Fe3O4) nanoparticles encapsulated with carbon (Fe3O4@C). The designed nanocomposites manifested in exceptional microwave attenuation through absorption (89 %). The unique strategy, of encapsulating ferrites with C, adopted here prevents the disruption of conducting pathway facilitated through the network of MWNTs and overcomes the eddy current effects. In addition, this strategy further led to improved dispersion of ferrites in PC matrix which rather agglomerates during processing. Unlike classical electromagnetic interference (EMI) shielding materials, the PC nanocomposites containing MWNTs and Fe3O4@C resulted in exceptional microwave attenuation in a broad frequency range and mostly through absorption. The absorption ability of these nanocomposites was further assessed by evaluating the reflection loss (RL). For instance, PC nanocomposites containing MWNTs and Fe3O4@C nanoparticles depicted in an exceptional RL of −41.3 dB at 17.7 GHz and with a remarkable bandwidth of 4.4 GHz for a thickness of 1 mm. Unlike previous studies where RL was improved by sacrificing dielectric losses, herein, the adopted strategy enhances both dielectric losses facilitating in enhanced total shielding effectiveness (SET) and RL through suitable impedance matching. This further result in excellent absorption. Therefore, this study provides comprehensive understanding about tailoring the complex microwave properties of the polymer nanocomposites in order to achieve enhanced microwave absorption.
Outcome of Laparoscopic Treatment of Anorectal Malformations in Children
Authors: Minaev Sergey V. , Kirgizov Igor V. , Gladkyy Aleksander , Shishkin Ilya , Gerasimenko Igor 
Published: August 2016

AbstractBackgroundOperative correction of anorectal malformations (ARMs) remains a challenge in pediatric surgery. The study aimed to evaluate the outcomes of laparoscopic treatment of ARM in children.MethodsFrom 2007 to 2014, we performed 104 laparoscopic‐assisted anorectal pull‐through procedures in children with a mean age of 11.3 ± 0.4 months and ARMs. Clinical assessment, surgical durations, complications, and postoperative outcome were investigated.ResultsThe mean duration of the operation was 126.5 ± 17.2 min. Mean intraoperative bleeding was 20 ± 5.7 g. Three (2.9 %) children required conversion to laparotomy. One (0.9 %) child developed a pelvic abscess, requiring an additional intervention. Three to six months after laparoscopic‐assisted anorectal pull‐through, 72 patients were hospitalized for stoma closure. Good functional results were achieved in 39 (54.2 %) patients. On examination of the perineum, 11 (15.3 %) patients were found to have mucosal prolapse. The circular symmetric anal reflex to tactile stimulation was confirmed in 53 (73.6 %) patients and a tactile weakened anal reflex in 5 (6.9 %) children. At the 1‐year follow‐up, constipation was present in nine (12.5 %) patients and soling in two (2.8 %) patients. A barium enema study performed after the operation showed good outcomes in 67 (93.1 %) patients and fair outcomes in 5 (6.9 %) patients. None had a poor outcome.ConclusionsOur experience confirms that laparoscopic‐assisted anorectal pull‐through enabled complete correction of ARM in the meanwhile avoiding damage to the rectum and anus. Also, the technique of double bipolar myostimulation of muscle complex in laparoscopic ARM might lead to these better results.