bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tailoring Diverse Microwave Properties of High Magnetic Moment FeCo Nanofilms through Different Atom Arrangements
Authors: Zong Baoyu , Phuoc Nguyen Nguyen , Wu Yuping , Ho Pin , Ma Fusheng , Han Guchang , Yang Yi , Li Zhengwen , He Shikun , Wu Yihong 
Published: July 2015

AbstractThe application of a pure FeCo film directly to devices is limited by the intrinsic properties of a homogeneous monolayer of the alloy, despite it having the highest saturation magnetization. A feasible methodology based on alternating current‐density electrodeposition to tune the microwave properties of FeCo films through diverse atom‐stacking arrangements is reported. The properties range from a large relative resonance permeability (up to 728 in the real part) to ultrahigh resonant frequency (up to 5.2 GHz), and extremely wide frequency dispersion (1.5–6.0 GHz); these are not observed in other materials or as a result of conventional doping methods. They are attained using different single‐layer, semi‐multilayer, and multilayer FeCo nanofilms, fabricated by diverse stacking arrangements of Fe and Co atoms during deposition in a single bath. This technique firstly exemplifies the significant effect of atom arrangement on magnetic inhomogeneity, nanoscale morphology, composition, crystal texture, stress, and damping, which in turn largely alters both the static and dynamic magnetic properties of the ferromagnetic film. These thin FeCo films might be used directly in various devices operating in the gigahertz frequency range.
Characterization of Paramagnetic Reactive Intermediates: Predicting the NMR Spectra of Iron(IV)–Oxo Complexes by DFT
Authors: Borgogno Andrea , Rastrelli Federico , Bagno Alessandro 
Published: July 2015

AbstractThe relative energies of spin states of several iron(IV)–oxo complexes and related species have been calculated with DFT methods by employing the B3LYP* functional. We show that such calculations can predict the correct ground spin state of FeIV complexes and can then be used to determine the 1H NMR spectra of all spin states; the spectral features are remarkably different, hence calculated paramagnetic 1H NMR spectra can be used to support the structure elucidation of numerous paramagnetic complexes. Applications to a number of stable and reactive iron(IV)–oxo species are described.
Bioinorganic Nanocomposite Hydrogels Formed by HRP–GOx‐Cascade‐Catalyzed Polymerization and Exfoliation of the Layered Composites
Authors: Liao Chuan‐An , Wu Qing , Wei Qing‐Cong , Wang Qi‐Gang 
Published: July 2015

AbstractThe mild preparation of multifunctional nanocomposite hydrogels is of great importance for practical applications. We report that bioinorganic nanocomposite hydrogels, with calcium niobate nanosheets as cross‐linkers, can be prepared by dual‐enzyme‐triggered polymerization and exfoliation of the layered composite. The layered HRP/calcium niobate composites (HRP=horseradish peroxidase) are formed by the assembly of the calcium niobate nanosheets with HRP. The dual‐enzyme‐triggered polymerization can induce the subsequent exfoliation of the layered composite and final gelation through the interaction between polymer chains and inorganic nanosheets. The self‐immobilized HRP‐GOx enzymes (GOx=glucose oxidase) within the nanocomposite hydrogel retain most of enzymatic activity. Evidently, their thermal stability and reusability can be improved. Notably, our strategy could be easily extended to other inorganic layered materials for the fabrication of other functional nanocomposite hydrogels.
Cu‐Catalyzed Cyanation of Arylboronic Acids with Acetonitrile: A Dual Role of TEMPO
Authors: Zhu Yamin , Li Linyi , Shen Zengming 
Published: July 2015

AbstractThe cyanation of arylboronic acids by using acetonitrile as the “CN” source has been achieved under a Cu(cat.)/TEMPO system (TEMPO=2,2,6,6‐tetramethylpiperidine N‐oxide). The broad substrate scope includes a variety of electron‐rich and electron‐poor arylboronic acids, which react well to give the cyanated products in high to excellent yields. Mechanistic studies reveal that TEMPOCH2CN, generated in situ, is an active cyanating reagent, and shows high reactivity for the formation of the CN− moiety. Moreover, TEMPO acts as a cheap oxidant to enable the reaction to be catalytic in copper.
Synthesis, Aromaticity and Photophysical Behaviour of Ferrocene‐ and Ruthenocene‐Appended Semisynthetic Chlorin Derivatives
Authors: Nikkonen Taru , Moreno Oliva María , Taubert Stefan , Melchionna Michele , Kahnt Axel , Helaja Juho 
Published: July 2015

AbstractTwo novel synthetic strategies to covalently link a metallocene electron‐donor unit to a chlorin ring are presented. In one approach, pyropheophorbide a is readily converted into its 131‐ferrocenyl dehydro derivative by nucleophilic addition of the ferrocenyl anion to the 131‐carbonyl group. In another approach, the corresponding 131‐pentamethylruthenocenyl derivative is synthesised from 131‐fulvenylchlorin by a facile ligand exchange/deprotonation reaction with the [RuCp*(cod)Cl] (Cp*=pentamethylcyclopentadienyl; cod=1,5‐cyclooctadiene) complex. The resulting metallocene–chlorins exhibit reduced aromaticity, which was unequivocally supported by ring‐current calculations based on the gauge‐including magnetically induced current (GIMIC) method and by calculated nucleus‐independent chemical shift (NICS) values. The negative ring current in the isocyclic E ring suggests the antiaromatic character of this moiety and also clarifies the spontaneous reactivity of the complexes with oxygen. The oxidation products were isolated and their electrochemical and photophysical properties were studied. The ruthenocene derivatives turned out to be stable under light irradiation and showed photoinduced charge transfer with charge‐separation lifetimes of 152–1029 ps.
Intramolecular Formal anti‐Carbopalladation/Heck Reaction: Facile Domino Access to Carbo‐ and Heterooligocyclic Dienes
Authors: Pawliczek Martin , Milde Bastian , Jones Peter G. , Werz Daniel B. 
Published: July 2015

AbstractAn intramolecular domino process consisting of a formal anti‐carbopalladation followed by Heck reaction is realized. Complex oligo(hetero)cyclic scaffolds are efficiently obtained in one synthetic step from easily obtainable enyne precursors. In contrast to common syn‐carbopalladation reactions of alkyne units, the carbopalladation employed here is designed to afford an anti‐arrangement of the two new substituents across the emerging double bond. A prerequisite is that the residues next to the alkyne should lack any β‐hydrogen atoms. The method paves the way to tri‐ and tetrasubstituted double‐bond systems that have not been accessible by conventional Pd catalysis.
Non‐Uniform Sampling and J‐UNIO Automation for Efficient Protein NMR Structure Determination
Authors: Didenko Tatiana , Proudfoot Andrew , Dutta Samit Kumar , Serrano Pedro , Wüthrich Kurt 
Published: July 2015

AbstractHigh‐resolution structure determination of small proteins in solution is one of the big assets of NMR spectroscopy in structural biology. Improvements in the efficiency of NMR structure determination by advances in NMR experiments and automation of data handling therefore attracts continued interest. Here, non‐uniform sampling (NUS) of 3D heteronuclear‐resolved [1H,1H]‐NOESY data yielded two‐ to three‐fold savings of instrument time for structure determinations of soluble proteins. With the 152‐residue protein NP_372339.1 from Staphylococcus aureus and the 71‐residue protein NP_346341.1 from Streptococcus pneumonia we show that high‐quality structures can be obtained with NUS NMR data, which are equally well amenable to robust automated analysis as the corresponding uniformly sampled data.
Gynecologic cancer outcomes in the elderly poor: A population‐based study
Authors: Doll Kemi M. , Meng Ke , Basch Ethan M. , Gehrig Paola A. , Brewster Wendy R. , Meyer Anne‐Marie 
Published: July 2015

BACKGROUNDAdults aged ≥65 years who are dually enrolled in Medicare and Medicaid are an at‐risk group in health care. However, to the best of the authors' knowledge, the outcomes of women with gynecologic cancers in this population are unknown.METHODSThe current study was a population‐based cohort study of North Carolina state cancer registry cases of uterine, ovarian, cervical, and vulvar/vaginal cancers (2003‐2009), with linked enrollment in Medicare and state Medicaid. Outcomes of all‐cause mortality and stage of disease at the time of diagnosis were analyzed as a function of enrollment status using multivariate analysis and survival curves.RESULTSOf 4522 women aged ≥65 years (3702 of whom were enrolled in Medicare [82%] and 820 of whom were dually enrolled [18%]), there were 2286 cases of uterine (51%), 1587 cases of ovarian (35%), 302 cases of cervical (7%), and 347 cases of vulvar/vaginal (8%) cancers. Dual enrollees had increased all‐cause mortality overall (adjusted hazard ratio [aHR], 1.34; 95% confidence interval [95% CI], 1.19‐1.49), and within each cancer site (uterine: aHR, 1.22 [95% CI, 1.02‐1.47]; ovarian: aHR, 1.25 [95% CI, 1.05‐1.49]; cervical: aHR, 1.34 [95% CI, 0.96‐1.87]; and vulvar/vaginal: aHR, 1.93 [95% CI, 1.36‐2.72]). Increased odds of advanced‐stage disease at the time of diagnosis among dual enrollees was only present in patients with uterine cancer (adjusted odds ratio, 1.38; 95% CI, 1.06‐1.79). Stratified survival curves demonstrated the strongest disparities among women with early‐stage uterine and early‐stage vulvar/vaginal cancers.CONCLUSIONSWomen aged ≥65 years who were dually enrolled in Medicare and Medicaid were found to have an overall 34% increase in all‐cause mortality after diagnosis with a gynecologic cancer compared with the non‐dually enrolled Medicare population. Women with early‐stage uterine and vulvar/vaginal cancers appeared to have the most disparate outcomes. Because these malignancies are generally curable, they have the most potential for benefit from targeted interventions. Cancer 2015;121:3591–3599. © 2015 American Cancer Society.
Uncommon BRAF mutations in the follicular variant of thyroid papillary carcinoma: New insights
Authors: Rossi Esther Diana , Martini Maurizio , Bizzarro Tommaso , Capodimonti Sara , Cenci Tonia , Lombardi Celestino Pio , Pontecorvi Alfredo , Fadda Guido , Larocca Luigi Maria 
Published: July 2015

BACKGROUNDMutational analysis is reshaping the practice of fine‐needle aspiration cytology for the diagnosis of thyroid nodules. The v‐Raf murine sarcoma viral oncogene homolog B1 (BRAF) valine (V) to glutamic acid (E) substitution at codon 600 (BRAFV600E) is the most effective diagnostic/prognostic marker and is used mainly for papillary thyroid carcinomas (PTCs). Although BRAFV600E represents 95% of all BRAF mutations, uncommon BRAF mutations have been identified in thyroid carcinomas. For the current study, the authors evaluated morphologic (plump pink cells and sickle‐shaped nuclei) anti‐BRAFV600E antibody (VE1) immunocytochemical and molecular findings of BRAF mutations in PTCs and in the follicular variant of PTC (FVPC).METHODSBetween January 2013 and June 2014, there were 150 cytologic samples with surgical follow‐up at the authors' institution. BRAF mutations, which were identified using liquid‐based cytology, were classified into wild‐type BRAF, BRAFV600E, and uncommon BRAF mutations. All clinicopathologic correlations between BRAF and FVPCs were analyzed.RESULTSForty‐four of 150 samples were identified as benign histologic lesions, and the authors focused on the 106 cytologic samples from patients who had malignant outcomes (60 PTCs and 46 FVPCs). The series included 16 follicular neoplasms, 36 samples diagnosed as suspicious of malignancy, and 54 samples diagnosed as positive for malignancy. The BRAFV600E mutation was detected in 17.4% of FVPCs and in 66.6% of PTCs, whereas uncommon BRAF mutations were detected only in FVPCs. Plump pink cells and VE1 expression were not identified in samples that had uncommon BRAF mutations. VE1 immunocytochemistry yielded positive results in all 36 samples that had the BRAFV600E mutation.CONCLUSIONSUncommon BRAF mutations were observed only in FVPCs and were linked to less aggressive behavior. Negative/weak VE1 expression was observed in both wild‐type and uncommon BRAF mutations. The current investigation did not reveal any plump cells or morphologic BRAF findings in samples that had uncommon BRAF mutations. In the authors' experience, BRAF mutations detected by DNA methods were more accurate in identifying FVPCs. Cancer (Cancer Cytopathol) 2015;123:593–602. © 2015 American Cancer Society.
Efficient privacy‐preserving temporal and spacial data aggregation for smart grid communications
Authors: Dong Xiaolei , Zhou Jun , Cao Zhenfu 
Published: July 2015

SummarySmart grid is ever‐increasingly adopted by nations and governments for its grand development with the underlying technologies of power management and information communications. The real‐time electricity usage can be monitored and aggregated by the smart meters deployed in the household for further analysis, control, and pricing. However, the existing solutions mainly depend on Paillier's additive homomorphic encryptions taking high computational complexity, and the aggregation mainly focused on the time series data generated by one single user. In this paper, we propose an efficient privacy‐preserving temporal and spacial data aggregation from one‐way functions in smart grid communications, which also allows spacial data aggregation from multiple users. The proposed construction can guarantee the unconditional security of users' metering power data privacy from the community gateway and the operation center, and the Adaptive Chosen Ciphertext Attack (CCA2) security of the aggregation result that can only be accessed by the authorized operating center. Both temporal and spacial data aggregation only require computing the underlying one‐way function once. The formal security proof and performance evaluations demonstrate the efficiency and the practicability of our scheme. Copyright © 2015 John Wiley & Sons, Ltd.
Assessing a mini‐application as a performance proxy for a finite element method engineering application
Authors: Lin Paul T. , Heroux Michael A. , Barrett Richard F. , Williams Alan B. 
Published: July 2015

SummaryThe performance of a large‐scale, production‐quality science and engineering application (‘app’) is often dominated by a small subset of the code. Even within that subset, computational and data access patterns are often repeated, so that an even smaller portion can represent the performance‐impacting features. If application developers, parallel computing experts, and computer architects can together identify this representative subset and then develop a small mini‐application (‘miniapp’) that can capture these primary performance characteristics, then this miniapp can be used to both improve the performance of the app as well as provide a tool for co‐design for the high‐performance computing community. However, a critical question is whether a miniapp can effectively capture key performance behavior of an app. This study provides a comparison of an implicit finite element semiconductor device modeling app on unstructured meshes with an implicit finite element miniapp on unstructured meshes. The goal is to assess whether the miniapp is predictive of the performance of the app. Single compute node performance will be compared, as well as scaling up to 16,000 cores. Results indicate that the miniapp can be reasonably predictive of the performance characteristics of the app for a single iteration of the solver on a single compute node. Published 2015. This article is a U.S. Government work and is in the public domain in the USA.
A convergence of key‐value storage systems from clouds to supercomputers
Authors: Li Tonglin , Zhou Xiaobing , Wang Ke , Zhao Dongfang , Sadooghi Iman , Zhang Zhao , Raicu Ioan 
Published: July 2015

SummaryThis paper presents a convergence of distributed key‐value storage systems in clouds and supercomputers. It specifically presents ZHT, a zero‐hop distributed key‐value store system, which has been tuned for the requirements of high‐end computing systems. ZHT aims to be a building block for future distributed systems, such as parallel and distributed file systems, distributed job management systems, and parallel programming systems. ZHT has some important properties, such as being lightweight, dynamically allowing nodes join and leave, fault tolerant through replication, persistent, scalable, and supporting unconventional operations such as append, compare and swap, callback in addition to the traditional insert/lookup/remove. We have evaluated ZHT's performance under a variety of systems, ranging from a Linux cluster with 64 nodes, an Amazon EC2 virtual cluster up to 96 nodes, to an IBM Blue Gene/P supercomputer with 8K nodes. We compared ZHT against other key‐value stores and found it offers superior performance for the features and portability it supports. This paper also presents several real systems that have adopted ZHT, namely, FusionFS (a distributed file system), IStore (a storage system with erasure coding), MATRIX (distributed scheduling), Slurm++ (distributed HPC job launch), Fabriq (distributed message queue management); all of these real systems have been simplified because of key‐value storage systems and have been shown to outperform other leading systems by orders of magnitude in some cases. It is important to highlight that some of these systems are rooted in HPC systems from supercomputers, while others are rooted in clouds and ad hoc distributed systems; through our work, we have shown how versatile key‐value storage systems can be in such a variety of environments. Copyright © 2015 John Wiley & Sons, Ltd.
Substituted Phthalic Anhydrides from Biobased Furanics: A New Approach to Renewable Aromatics
Authors: Thiyagarajan Shanmugam , Genuino Homer C. , Śliwa Michał , van der Waal Jan C. , de Jong Ed , van Haveren Jacco , Weckhuysen Bert M. , Bruijnincx Pieter C. A. , van Es Daan S. 
Published: July 2015

AbstractA novel route for the production of renewable aromatic chemicals, particularly substituted phthalic acid anhydrides, is presented. The classical two‐step approach to furanics‐derived aromatics via Diels–Alder (DA) aromatization has been modified into a three‐step procedure to address the general issue of the reversible nature of the intermediate DA addition step. The new sequence involves DA addition, followed by a mild hydrogenation step to obtain a stable oxanorbornane intermediate in high yield and purity. Subsequent one‐pot, liquid‐phase dehydration and dehydrogenation of the hydrogenated adduct using a physical mixture of acidic zeolites or resins in combination with metal on a carbon support then allows aromatization with yields as high as 84 % of total aromatics under relatively mild conditions. The mechanism of the final aromatization reaction step unexpectedly involves a lactone as primary intermediate.
A Tangled Web: Assessing overlaps between energy and environmental policy instruments along the electricity supply chain
Authors: Simoes Sofia , Huppes Gjalt , Seixas Julia 
Published: July 2015

AbstractIn OECD countries, many overlapping energy and environmental policy instruments are targeting the various stakeholders in the electricity supply chain (producers, transmission and distribution companies and various consumers). Although synergies between different policy instruments exist, e.g. reducing acidification and climate change by reducing energy consumption, there are also measures whose effects counter each other. Such counter effects arise not only within different environmental policy instruments but also with energy policy instruments. This paper surveys the overlaps in the policy instruments that target the European Union electricity system and characterizes their interactions. A framework for further assessment and analysis of overlaps and co‐effects between policy instruments is presented. The development of policies and their implementation using specific instruments may then be better aligned. A brief discussion on how trade‐offs can be structured is made, as well as some notes on issues to be considered towards policy integration. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment
Patterns of Multi‐Level Fisheries Governance and Their Impact on Fishermen's Adaptation Strategies in Tamil Nadu, India
Authors: Novak Julia M. , Axelrod Mark 
Published: July 2015

AbstractFishermen, like other resource users, follow a range of adaptation strategies in response to environmental or economic stressors. This paper examines how multi‐level governance arrangements influence fishermen's adaptation strategies, with evidence from three villages in Tamil Nadu, India. In the absence of local or regional constraints, fishermen adapt to changing conditions by either increasing or decreasing their fishing effort. In situations where regional and local management rules conflict, fishermen defer to community‐level institutions – even if limited – at the expense of state or district government regulations. However, robust behavioural constraints may in some conditions emerge from extra‐local governance, as we show for one village that invited district‐level governance. Furthermore, our results show that while village‐level heterogeneity may inhibit local resource governance, resulting local conflict may actually create opportunities for legitimate external rules. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment
Heart failure, chronic obstructive pulmonary disease, and asthma: numbers, facts, and challenges
Authors: Lainscak Mitja , Anker Stefan D. 
Published: July 2015

AbstractHeart failure (HF), chronic obstructive pulmonary disease (COPD), and asthma are considered as major health problems. They affect 1–3%, 4–10%, and 8–19% of population, respectively, and frequently coexist. Pulmonary function testing and echocardiography are needed for reliable diagnosis, but in clinical practice, diagnosis often is based on history and disease self‐reporting. Concomitant HF can be diagnosed in about 20% of patients with COPD, and at least 50% had systolic dysfunction. In patients with HF, prevalence of COPD is up to 35%, and less than 25% of patients have COPD GOLD stage III or IV. COPD is more severe in patients with HF with preserved ejection fraction. When HF and COPD coexist, hazard of death is increased for 39% but can even exceed the mortality in individual disease by threefold. In patients with acute deterioration, natriuretic peptides and lung ultrasound, along with other laboratory biomarkers and imaging, need to be implemented to differentiate underlying cause and to manage patients accordingly. COPD is not contraindication for beta‐blockers, and if used, the risk of death is reduced by 31%; if indicated, cardio‐selective agents can be used in asthma. Recent pan‐European registry reported that about 90% of patients with HF receive beta‐blockers, whereas dosing remains a large unmet need with only 17% being treated with target daily dose. Concurrent HF and COPD reduce the prescription of beta blockers threefold, which results in about 20% of patients actually being treated with beta‐blockers. In COPD/asthma, beta‐agonists are strongly associated with new HF (relative risk of 3.41) and HF hospitalizations (odds ratio of 1.74).