bluuebunny/crossref_metadata_2025_split huggingface dataset:
Antisite Defects in Sol‐Gel‐Synthesized LiFePO4 at Higher Temperature: Effect on Lithium‐Ion Diffusion
Authors: Raj Hari , Rani Sonia , Sil Anjan 
Published: August 2018

AbstractIn the present work, the study of atomic defects in LiFePO4 is achieved by Rietveld refinements. Several LiFePO4 samples are synthesized by using a sol‐gel process with varying calcination times and argon flow rates. Quantitative analysis of XRD patterns through Rietveld refinements confirms 2 % antisite defects in the LiFePO4 sample. However, for the first time, we have observed antisite defects in LiFePO4 prepared through a sol‐gel process at a higher temperature of 700 °C. Two samples identified as LFP−A and LFP−B are further studied by electrochemical analysis and electrochemical impedance spectroscopy to examine the effect of the antisite defects on the electrochemical performances and Li‐ion diffusion of LiFePO4. Sample LFP−B with 2 % antisite defects shows, at 0.1 C rate, a lower discharge capacity of 138 mAh g−1 as compared to 150 mAh g−1 for LFP−A. LFP−B also shows shorter cycle life as well as rate capability at all of the C rates studied. Li‐ion diffusion coefficients of LFP−A and LFP−B in initially prepared electrodes are found to be 1.669×10−13 and 1.198×10−13 cm2 s−1, respectively, whereas the diffusion coefficients after 200 cycles are 0.968×10−13 and 0.436×10−13 cm2 s−1, respectively.
Solvent Effects on the Reversible Intercalation of Magnesium‐Ions into V2O5 Electrodes
Authors: Attias Ran , Salama Michael , Hirsch Baruch , Gofer Yosef , Aurbach Doron 
Published: August 2018

AbstractThe choice for solvents in electrolyte solutions for non‐aqueous magnesium batteries is currently limited to ethers. However, the scientific community regularly uses acetonitrile (ACN) based electrolyte solutions as model systems in order to characterize new cathode materials for rechargeable Magnesium batteries. In this study, we demonstrated the effect of dimethoxyethane (DME), an important solvent for rechargeable magnesium systems, on the reversible intercalation of Mg2+ cations into thin, monolithic V2O5 films. The effect of DME on the intercalation kinetic have been examined via chronopotentiometry, galvanostatic and galvanostatic intermittent titration (GITT) measurements. In addition, we explored basic scientific questions related to the structure of ACN:DME based electrolyte solutions via Raman spectroscopy and surface chemistry of V2O5/Mg(ClO4)2/ACN:DME systems via X‐ray photoelectron spectroscopy. We found that addition of DME to the Mg(ClO4)2/ACN solution results in replacing the ACN‐Mg2+ cation by the more thermodynamically stable 3DME‐Mg2+ solvate structure. We also found that the DME‐Mg interaction forms stable solution structures that kinetically slow down the insertion of the Mg2+ cations into V2O5, compared with the less coordinated situation in solutions based solely on ACN.
Photocatalytic Hydrogen Evolution by a Synthetic [FeFe] Hydrogenase Mimic Encapsulated in a Porphyrin Cage
Authors: Nurttila Sandra S. , Becker René , Hessels Joeri , Woutersen Sander , Reek Joost N. H. 
Published: August 2018

AbstractThe design of a biomimetic and fully base metal photocatalytic system for photocatalytic proton reduction in a homogeneous medium is described. A synthetic pyridylphosphole‐appended [FeFe] hydrogenase mimic was encapsulated inside a supramolecular zinc porphyrin‐based metal–organic cage structure Fe4(Zn‐L)6. The binding is driven by the selective pyridine–zinc porphyrin interaction and results in the catalyst being bound strongly inside the hydrophobic cavity of the cage. Excitation of the capsule‐forming porphyrin ligands with visible light while probing the IR spectrum confirmed that electron transfer takes place from the excited porphyrin cage to the catalyst residing inside the capsule. Light‐driven proton reduction was achieved by irradiation of an acidic solution of the caged catalyst with visible light.
Hierarchical Self‐Assembly of Supramolecular Coordination Polymers Using Giant Metal–Organic Nanocapsules as Building Blocks
Authors: Zhang Chen , Wang Fang , Patil Rahul S. , Barnes Charles L. , Li Tao , Atwood Jerry L. 
Published: August 2018

AbstractControlling the self‐assembly of giant molecular building blocks into complex architectures with similar hierarchy to biological species remains a major challenge in supramolecular chemistry. Akin to protein structure, here we present the self‐assembly of giant molecular nanocapsules into supramolecular coordination polymers with controlled hierarchy from primary to secondary and tertiary structures. First, we successfully prepared discrete nanocapsules (secondary structures) consisting of multicomponents, such as organic macrocycles and metal‐based secondary building units (primary structures). Second, these nanocapsules can self‐organize into various 2D and 3D supramolecular coordination polymers (tertiary structures) through coordination‐driven assembly. The periphery 24 flexible alkyl chains and 24 metal ions available for potential coordination make these nanocapsules comparable to functionalized solid nanoparticles with non‐specific binding sites at the surface and allow the nanocapsules to self‐adjust their orientations and coordination modes to facilitate the self‐assembly process. This study sheds light on the self‐assembly of giant building units with complex molecular structures and opens up possibilities for the design of new hierarchical architectures with innovative properties and functions in many applications such as biomimics, biomedicine, and molecular devices.
Short‐term outcomes of pulmonary embolism: A National Perspective
Authors: Shah Purav , Arora Shilpkumar , Kumar Varun , Sharma Surina , Shah Harshil , Tripathi Byomesh , Sharma Purnima , Sharma Ravina , Savani Sejal , Qureshi Muhammad Raheel , Faruqi Ibrahim 
Published: August 2018

BackgroundPulmonary embolism (PE) is associated with significant morbidity and mortality in hospitalized patients. Real time data on 90‐day mortality, bleeding, and readmission is sparse.MethodsThe study cohort was derived from the National Readmission Data (NRD) 2013 to 2014. PE was identified using International Classification of Diseases, ninth Revision (ICD‐9‐CM) code 415.11/3/9 in the primary diagnosis field. Any admission within 90 days of primary admission was considered a 90‐day readmission. Readmission etiologies were identified by ICD‐9 code in the primary diagnosis field. Co‐primary outcomes were 90‐day readmission and 90‐day mortality.ResultsWe identified 260 614 patients with primary admission PE, 55 659 (21.36%) patients were readmitted within 90 days. Most of them were of old age (age ≥ 65 years: 49.04%) and females (52.78%). Among the etiologies of readmission pulmonary disorders (22.94%) (Including recurrent PE 7.33%), malignancies (8.31%), and bleeding disorders (6.75%) were the most important causes of 90‐day readmissions. On multivariate analysis, higher readmission rates and 90 days mortality were seen in patients with heart failure, chronic pulmonary disease, Anemia, malignancy, and with higher Charlson score. Patients with longer length of stay during primary admission and who discharged to short/long‐term facility were more likely get readmitted and die in 90 days. Paradoxically, obese patients showed an inverse relationship with co‐primary outcomes.ConclusionsOlder female patients were more likely to have a pulmonary embolism. High‐risk groups such as heart failure, chronic pulmonary disease, anemia, and malignancy need to be given extra attention to prevent worse outcomes.
No evidence of overweight in long‐term survivors of childhood cancer after glucocorticoid treatment
Authors: Belle Fabiën N. , Kasteler Rahel , Schindera Christina , Bochud Murielle , Ammann Roland A. , von der Weid Nicolas X. , Kuehni Claudia E. ,   for the Swiss Pediatric Oncology Group (SPOG)
Published: August 2018

BACKGROUNDGlucocorticoids can lead to weight gain during cancer treatment, but to the authors' knowledge, little is known regarding their long‐term effects in childhood cancer survivors (CCS).METHODSAs part of the Swiss Childhood Cancer Survivor Study, the authors sent a questionnaire to CCS aged <21 years at diagnosis who were residing in Switzerland, had survived ≥5 years, and were aged 15 to 45 years at the time of the survey. Cumulative doses of glucocorticoids were assessed from medical records and study protocols and body mass index was calculated from self‐reported height and weight at the time of the survey. The authors compared the prevalence of overweight between CCS, their siblings, and the general population (Swiss Health Survey [SHS]) and investigated the association between overweight and treatment‐related risk factors using multivariable logistic regression.RESULTSThe study included 1936 CCS, 546 siblings, and 9591 SHS participants. The median age of the CCS at the time of the survey was 24 years (interquartile range, 20‐31 years) and the median time since diagnosis was 17 years (interquartile range, 12‐22 years). At the time of the survey, approximately 26% of CCS were overweight, a percentage that was comparable to that among siblings (24%) and the SHS participants (25%). The prevalence of overweight was 24% in CCS treated with glucocorticoids only (686 CCS), 37% in those treated with cranial radiotherapy (CRT) (127 CCS), and 49% in those who received treatment with both glucocorticoids and CRT (101 CCS) (P < .001). The authors found no evidence of a dose‐response relationship between cumulative glucocorticoid doses and overweight and no evidence that CRT modified the effect of the cumulative glucocorticoid dose on overweight.CONCLUSIONSThe results of the current study suggest that glucocorticoids used for the treatment of childhood cancer are not associated with long‐term risk of overweight.
Fully coupled fluid‐electro‐mechanical model of the human heart for supercomputers
Authors: Santiago Alfonso , Aguado‐Sierra Jazmín , Zavala‐Aké Miguel , Doste‐Beltran Ruben , Gómez Samuel , Arís Ruth , Cajas Juan C. , Casoni Eva , Vázquez Mariano 
Published: August 2018

AbstractIn this work, we present a fully coupled fluid‐electro‐mechanical model of a 50th percentile human heart. The model is implemented on Alya, the BSC multi‐physics parallel code, capable of running efficiently in supercomputers. Blood in the cardiac cavities is modeled by the incompressible Navier‐Stokes equations and an arbitrary Lagrangian‐Eulerian (ALE) scheme. Electrophysiology is modeled with a monodomain scheme and the O'Hara‐Rudy cell model. Solid mechanics is modeled with a total Lagrangian formulation for discrete strains using the Holzapfel‐Ogden cardiac tissue material model. The three problems are simultaneously and bidirectionally coupled through an electromechanical feedback and a fluid‐structure interaction scheme. In this paper, we present the scheme in detail and propose it as a computational cardiac workbench.
Tailoring the 3D Structure of Pd Nanocatalysts Supported on Mesoporous Carbon for Furfural Hydrogenation
Authors: Wang Wu , Villa Alberto , Kübel Christian , Hahn Horst , Wang Di 
Published: August 2018

AbstractBy quantitative 3D structural characterization of Pd nanoparticles supported on mesoporous carbon, we identify the most important structural aspects of the catalysts, which are responsible for the activity, selectivity and stability in liquid phase furfural hydrogenation. A systematic series of catalysts were prepared by three synthetic methods: incipient wetness impregnation, wet impregnation and immobilization of preformed PVA stabilized nanoparticles in order to control the Pd nanoparticle distribution on the external and internal surfaces of the mesoporous carbon. The activity and selectivity of these catalysts are highly affected by the particle locations. More Pd nanoparticles located inside pores promote the formation of 2‐methyl furan, while selectivity to furfuryl alcohol and tetrahydrofurfuryl alcohol is suppressed correspondingly. Through recycling tests we find that leaching depends on the synthesis process and plays an important role with respect to catalytic stability.
[Cp*RhIII]/Ionic Liquid as a Highly Efficient and Recyclable Catalytic Medium for C−H Amidation
Authors: Ma Qiang , Yu Xinling , Lai Ruizhi , Lv Songyang , Dai Weiyang , Zhang Chen , Wang Xiaolong , Wang Qiantao , Wu Yong 
Published: August 2018

AbstractA [Cp*RhIII]‐catalyzed direct C−H amidation is carried out in ionic liquid. Both C(sp2)−H bonds of (hetero)arenes and alkenes and unactivated C(sp3)−H bonds can be easily amidated with high functional‐group tolerance and excellent yields under these conditions. Notably, using [Cp*RhIII]/[BMIM]BF4 (BMIM=1‐butyl‐3‐methylimidazolium) as the green and recyclable medium is environmentally benign, in light of characteristics such as the reusability of the expensive rhodium catalyst, avoidance of highly toxic organic solvents, and mild reaction conditions, as well as a short reaction time.
Automation of the in vitro micronucleus assay using the Imagestream® imaging flow cytometer
Authors: Rodrigues Matthew A. 
Published: August 2018

AbstractThe in vitro micronucleus (MN) assay is a well‐established test for evaluating genotoxicity and cytotoxicity. The use of manual microscopy to perform the assay can be laborious and often suffers from user subjectivity and interscorer variability. Automated methods including slide‐scanning microscopy and conventional flow cytometry have been developed to eliminate scorer bias and improve throughput. However, these methods possess several limitations such as lack of cytoplasmic visualization using slide‐scanning microscopy and the inability to visually confirm the legitimacy of MN or storage of image data for re‐evaluation using flow cytometry. The ImageStreamX® MK II (ISX) imaging flow cytometer has been demonstrated to overcome all of these limitations. The ISX combines the speed, statistical robustness, and rare event capture capability of conventional flow cytometry with high resolution fluorescent imagery of microscopy and possesses the ability to store all collected image data. This paper details the methodology developed to perform the in vitro MN assay in human lymphoblastoid TK6 cells on the ISX. High resolution images of micronucleated mono‐ and bi‐nucleated cells as well as polynucleated cells can be acquired at a high rate of capture. All images can then be automatically identified, categorized and enumerated in the data analysis software that accompanies the ImageStream, allowing for the scoring of both genotoxicity and cytotoxicity. The results demonstrate that statistically significant increases in MN frequency when compared with solvent controls can be detected at varying levels of cytotoxicity following exposure to well‐known aneugens and clastogens. This work demonstrates a fully automated method for performing the in vitro micronucleus assay on the ISX imaging flow cytometry platform. © 2018 The Author. Cytometry Part A published by Wiley Periodicals, Inc. on behalf of ISAC.
Simulating 6TiSCH networks
Authors: Municio Esteban , Daneels Glenn , Vučinić Mališa , Latré Steven , Famaey Jeroen , Tanaka Yasuyuki , Brun Keoma , Muraoka Kazushi , Vilajosana Xavier , Watteyne Thomas 
Published: August 2018

Abstract6TiSCH is a working group at the IETF, which is standardizing how to combine IEEE802.15.4 time‐slotted channel hopping (TSCH) with IPv6. The result is a solution that offers both industrial performance and seamless integration into the Internet and is therefore seen as a key technology for the Industrial Internet of Things. This article presents the 6TiSCH simulator, created as part of the standardization activity, and which has been used extensively by the working group. The goal of the simulator is to benchmark 6TiSCH against realistic scenarios, something which is hard to do using formal models or real‐world deployments. This article discusses the overall architecture of the simulator, details the different models it uses (ie, energy and propagation), compares it to other simulation/emulation platforms, and presents five published examples of how the 6TiSCH simulator has been used.
Particle filtering of volatility dynamics for KOSPI200 and its sequential prediction
Authors: Kwon Tae Yeon 
Published: August 2018

AbstractThis paper examines a method of filtering the volatility dynamics of the KOSPI200 index under a stochastic volatility model. This study applies a particle filter algorithm for sequential estimation of volatility dynamics. In order to improve our estimation, the cross‐asset class approach is adopted by adding option price information to the model. The entire estimation procedure including the derivation of theoretical option price is based on Bayesian Markov chain Monte Carlo methods, so the method presented in this paper can be applied to diversified volatility models. Through the simulation study, we confirm that this method can estimate unknown volatility dynamics correctly, and the use of additional option prices improves both the accuracy and efficiency of volatility filtering. The sequential one‐step‐ahead prediction of the distribution of the KOSPI 200 index and index option prices shows that the additional option price information also enhances the prediction performance.
Extranodal lymphomas in the public health system inChile:Analysis of 1251 patients from theNationalAdultCancerProgram
Authors: Peña Camila , Russo Moises , Martinez Virginia , Cabrera Maria Elena 
Published: August 2018

AbstractThe aim of the study was to describe the clinical and epidemiological characteristics, anatomic and histologic distribution, and treatment results of extranodal lymphomas (ENLs), diagnosed and treated in the public health system in Chile. We included patients with ENL diagnosed from 1998 to 2014, in 17 cancer centers, registered prospectively in the database of the National Adult Cancer Program (PANDA) of the Ministry of Health. Treatment was based on the local protocols for each lymphoma subtype. Extranodal lymphoma was documented in 1215 of 4907 non‐Hodgkin lymphomas diagnosed in that period (25%). Median age was 59 years (range, 16‐95), and 55% were female. The gastrointestinal (GI) tract was the most common location (38%), followed by the head and neck (24%) and the skin (15%). B‐cell lymphomas accounted for 78% of cases, diffuse large B‐cell lymphoma being the most common histologic subtype (68%). Mycosis fungoides/Sezary syndrome was the most frequent T‐cell subtype (36%), followed by NK/T‐cell lymphomanasal type (24%). In comparison with western countries, Chile showed a significantly high prevalence of NK/T‐cell lymphoma nasal type, while the frequency of B‐cell ENL and the anatomic distribution appeared similar, being GI the most commonly involved site.
Use of TRL in the systems engineering toolbox
Authors: Bakke Kjersti , Haskins Cecilia 
Published: August 2018

AbstractTechnology Readiness Level (TRL) is used to evaluate the maturity of the Critical Technology Elements (CTE) in a project or program and indicates an assumed level of the remaining technical risks for each independent technology. This paper presents results of a literature review exploring the diversity of definitions applied to TRL. Survey results explore whether and how TRLs are used. Based on these results the authors assess to what degree TRL evaluations are suitable for organizations without separately trained and skilled readiness assessment personnel.
Requirements Management or Assurance Management? Keep the data integrated!
Authors: Beasley Richard , Cardow Iain , Pickard Andrew C 
Published: August 2018

AbstractThe successful development of complicated and/or complex systems is facilitated by the application of Systems Engineering. The System Engineering technical processes create a lot of information, which is subject to change during system development. This information must be appropriately managed and change controlled. Beyond the basic configuration management of selected documents the elements in these, including individual Requirements, Evidence, Definition and Verification (REDV) information, must be subject to configuration management and change control.This paper reviews how this information should be managed as a whole, and so there should not be a focus on “merely” requirements management. Dick and Chard (2004)'s “requirements sandwich” and Scheithauer and Forsberg (2013)'s “Assurance V model” are combined in this paper into a REDV information management process. The types of information, the linkage to the technical processes that produce the information, how information changes during the iteration and integration activities in system development are described. This approach to the information management is recommended as a progressive assurance management process. This will ensure information is joined up (so the system remains a whole) and is integrated with the system development plan (particularly the design iterations).
Evolving Model‐Based Systems Engineering Ontologies and Structures
Authors: Vaneman Warren K. 
Published: August 2018

AbstractModel‐Based Systems Engineering (MBSE) is a mysterious concept that means many different things to different stakeholders. MBSE was envisioned to manage the increasing complexity within systems, by replacing traditional document‐based system engineering with a model‐based approach. However, more than a decade after MBSE was introduced, many systems engineering efforts still default to a “document‐like view” rather than integrated, “virtual,” representation of the system. This paper suggests a revised definition for MBSE which supports system design and analysis, throughout all phases of the system lifecycle, and through the collection of modeling languages, model‐based processes, structures, and presentation frameworks used to support the discipline of systems engineering in a model‐based or model‐driven context. To realize this definition, and an environment where the system is virtually represented, the long‐sought ontology must be attained for better definition and structure within MBSE. This paper explores how current MBSE methods can be extended to include an ontology.
A Framework for Understanding Systems Principles and Methods
Authors: Rousseau David 
Published: August 2018

AbstractSystems Engineering is increasingly challenged by the rising complexity of projects undertaken, resulting in increases in costs, failure rates and negative unintended consequences. This has resulted in calls for more scientific principles to underpin the methods of Systems Engineering. In this paper, it is argued that our ability to improve Systems Engineering's methods depends on making the principles of Systemology, of which Systems Engineering is a part, more diverse and more scientific. An architecture for Systemology is introduced, which shows how the principles of Systemology arise from interdependent processes spanning multiple disciplinary fields, and on this basis a typology is introduced, which can be used to classify systems principles and systems methods, This framework, consisting of an architecture and a typology, can be used to survey and classify the principles and methods currently in use in Systemology, map vocabularies referring to them, identify key gaps, and expose opportunities for further development. It may thus serve as a tool for coordinating collaborative work towards advancing the scope and depth of Systemology.