bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bifurcation behaviors generated by Panda‐ring control circuit
Authors: Bahadoran Mahdi , Jalil Muhammad Arif , Ali Jalil , Amiri Iraj Sadegh , Yupapin Preecha 
Published: February 2019

AbstractWe have demonstrated that the bifurcation patterns can generate by the double Panda‐ring resonator system, where the first system is configured as the input source, while the second system is the feedback control systems. The key concept of the proposal is the two nonlinear side ring resonators that can induce the nonlinear Kerr effect into the center ring. The feedback signals generated from the second ring will induce into the first Panda‐ring, from which the required bifurcation behaviors are obtained. By adjusting the suitable parameters, the simulation results obtained have shown that there are the various exciting bifurcation behaviors in both systems that can be used for the applications such as textile pattern design, information security, and biosensors.
Robust water–fat separation for multi‐echo gradient‐recalled echo sequence using convolutional neural network
Authors: Cho JaeJin , Park HyunWook 
Published: February 2019

PurposeTo accurately separate water and fat signals for bipolar multi‐echo gradient‐recalled echo sequence using a convolutional neural network (CNN).MethodsA CNN architecture was designed and trained using the relationship between multi‐echo images from the bipolar multi‐echo gradient‐recalled echo sequence and artifact‐free water–fat‐separated images. The artifact‐free water–fat‐separated images for training the CNN were obtained from multiple signals with different TEs by using iterative decomposition of water and fat with echo asymmetry and the least‐squares estimation method, in which multiple signals at different TEs were acquired using a single‐echo gradient‐recalled echo sequence. We also proposed a data augmentation method using a synthetic field inhomogeneity to generate multi‐echo signals, including various bipolar multi‐echo gradient‐recalled echo artifacts so that the CNN could prevent overfitting and increase the separation accuracy. We trained the CNN using in vivo knee images and tested it using in vivo knee, head, and ankle images.ResultsIn vivo imaging results showed that the proposed CNN could separate water–fat images accurately. Although the proposed CNN was trained using only in vivo knee images, the proposed CNN could also separate water–fat images of different imaging regions. The proposed data augmentation method could prevent overfitting even with a limited number of training data sets and make the method robust to magnetic field inhomogeneities.ConclusionThe proposed CNN could obtain water–fat‐separated images from the multi‐echo images acquired from the bipolar multi‐echo gradient‐recalled echo sequence, which included artifacts from the bipolar gradients.
The Coulomb Hole of the Ne Atom
Authors: Rodríguez‐Mayorga Mauricio , Ramos‐Cordoba Eloy , Lopez Xabier , Solà Miquel , Ugalde Jesus M. , Matito Eduard 
Published: February 2019

AbstractWe analyze the Coulomb hole of Ne from highly‐accurate CISD wave functions obtained from optimized even‐tempered basis sets. Using a two‐fold extrapolation procedure we obtain highly accurate results that recover 97 % of the correlation energy. We confirm the existence of a shoulder in the short‐range region of the Coulomb hole of the Ne atom, which is due to an internal reorganization of the K‐shell caused by electron correlation of the core electrons. The feature is very sensitive to the quality of the basis set in the core region and it is not exclusive to Ne, being also present in most of second‐row atoms, thus confirming that it is due to K‐shell correlation effects.
Mechanistic Insights into a Stibene Cleavage Oxygenase NOV1 from Quantum Mechanical/Molecular Mechanical Calculations
Authors: Lu Jiarui , Lai Wenzhen 
Published: February 2019

AbstractNOV1, a stilbene cleavage oxygenase, catalyzes the cleavage of the central double bond of stilbenes to two phenolic aldehydes, using a 4‐His Fe(II) center and dioxygen. Herein, we use in‐protein quantum mechanical/molecular mechanical (QM/MM) calculations to elucidate the reaction mechanism of the central double bond cleavage of phytoalexin resveratrol by NOV1. Our results showed that the oxygen molecule prefers to bind to the iron center in a side‐on fashion, as suggested from the experiment. The quintet Fe−O2 complex with the side‐on superoxo antiferromagnetic coupled to the resveratrol radical is identified as the reactive oxygen species. The QM/MM results support the dioxygenase mechanism involving a dioxetane intermediate with a rate‐limiting barrier of 10.0 kcal mol−1. The alternative pathway through an epoxide intermediate is ruled out due to a larger rate‐limiting barrier (26.8 kcal mol−1). These findings provide important insight into the catalytic mechanism of carotenoid cleavage oxygenases and also the dioxygen activation of non‐heme enzymes.
Electron Delocalization in Planar Metallacycles: Hückel or Möbius Aromatic?
Authors: Szczepanik Dariusz W. , Solà Miquel 
Published: February 2019

AbstractIn this work the relationship between the formal number of π‐electrons, d‐orbital conjugation topology, π‐electron delocalization and aromaticity in d‐block metallacycles is investigated in the context of recent findings concerning the correlation of π‐HOMO topology and the magnetic aromaticity indices in these species. It is demonstrated that for π‐electron rich d‐metallacycles the direct link between aromaticity, the number of π‐electrons and the frontier π‐orbital topology does not strictly hold and for such systems it is very difficult to unambiguously associate their aromaticity with the “4n+2” (Hückel) and “4n” (Möbius) rules. It is also shown that the recently proposed electron density of delocalized bonds (EDDB) method can successfully be used not only to quantify and visualize aromaticity in such difficult cases, but also – in contrast to magnetic aromaticity descriptors – to provide a great deal of information on the real role of d‐orbitals in metallacycles without the ambiguity of bookkeeping of electrons in the π‐subsystem of the molecular ring. Interestingly, some of the metallacycles studied cannot be classified exclusively as Hückel or Möbius because they have a hybrid Hückel‐Möbius or even quasi‐aromatic nature.
Propensity score methods and regression adjustment for analysis of nonrandomized studies with health‐related quality of life outcomes
Authors: Cottone Francesco , Anota Amelie , Bonnetain Franck , Collins Gary S. , Efficace Fabio 
Published: February 2019

AbstractPurposeThe aim of this study was to investigate the potential added value of combining propensity score (PS) methods with multivariable linear regression (MLR) in estimating the average treatment effect on the treated (ATT) in nonrandomized studies with health‐related quality of life (HRQoL) outcomes.MethodsWe first used simulations to compare the performances of different PS‐based methods, either alone or in combination with further MLR adjustment, in estimating ATT. PS methods were, respectively, optimal pair (OPM) and full (OFM) PS matching, subclassification on the PS (SBC), and the inverse probability of treatment weighting (IPTW). We simulated several scenarios, according to different sample sizes, proportions of treated vs untreated subjects, and types of HRQoL outcomes. We also applied the same methods to a real clinical data set.ResultsOPM and IPTW provided the closest Type I error to the nominal threshold α = 0.05 across all scenarios. Overall, both methods showed also lower variability in estimates than SBC and OFM. SBC performed worst, generally providing the highest levels of bias. Further MLR adjustment lessened bias for all methods, however providing higher Type I error for SBC and OFM. In the real case, all methods provided similar ATT estimates except for one outcome.ConclusionsOur findings suggest that for sample sizes up to n = 200, OPM and IPTW are to be preferred to OFM and SBC in estimating ATT on HRQoL outcomes. Specifically, OPM performed best in sample sizes of n ≥ 80, IPTW for smaller sample sizes. Additional MLR adjustment can further improve ATT estimates.
R‐E‐S‐P‐E‐C‐T: How Royal Botanic Gardens Victoria is responding to climate change
Authors: Entwisle Timothy J. 
Published: February 2019

Societal Impact StatementBotanic gardens have a responsibility to lead, encourage, and contribute to research into climate change, particularly relating to plants and their habitats. We must educate, in the broadest sense of that word, and safeguard plants through seedbanking and other ex situ collections, and contribute to restoration. Good planning is essential to prepare for the succession of our living landscapes. We can engage on many levels, but most importantly with policy, politicians, and public opinion. Partnerships are essential and we should collaborate within regional networks. Finally, we must show tenacity. In short, R‐E‐S‐P‐E‐C‐T, respect.
Summary
Climate change is our “biggest challenge,” “most pressing issue” or simply, and starkly, “a crisis.” As expressed in The Xishuangbanna Declaration on Botanical Gardens and Climate Change, there is much we can do as botanic gardens to help the world mitigate and adapt to global warming. We have a responsibility to lead, encourage, and contribute to research into the causes, consequences, and controls of climate change, particularly relating to plants and their habitats. Our core function, I think, is to educate, in the broadest sense of that word. We must safeguard plants through seedbanking and other ex situ collections, and contribute to restoration. Good planning is essential and we need to prepare for the succession of our living landscapes. We can engage on many levels, but most importantly perhaps with policy, politicians and public opinion. Partnerships are essential and I would encourage botanic gardens to participate actively in peak bodies such as the International Association of Botanic Gardens and Botanic Gardens Conservation International, and to collaborate within regional networks. Finally, show tenacity—hold firm and true to our purpose, to safeguard plants and to care for people and our planet. In short, R‐E‐S‐P‐E‐C‐T, respect.
Influence of Reaction Conditions and Promoting Role of Ammonia Produced at Higher Temperature Conditions in Its Synthesis Process over Cs‐Ru/MgO Catalyst
Authors: Javaid Rahat , Matsumoto Hideyuki , Nanba Tetsuya 
Published: February 2019

AbstractCs promoted Ru/MgO catalyst was prepared by an impregnation method using Ru(NO3)3 and Cs(NO3)2 as precursor compounds. The activity measurements for ammonia (NH3) synthesis were carried out in a fixed‐bed flow reactor. A reactant stream of H2 and N2 was used for NH3 synthesis. The influences of reaction temperature, pressure and H2/N2 ratio on the performance of the catalyst were investigated in detail. The relative concentration of H2 and N2 in the reactant stream highly influenced the catalytic activity. The remarkably higher rate of NH3 synthesis was observed for the higher H2/N2 ratio at 400 °C and lower H2 concentration in the reactant stream improved the catalytic activity at lower temperature conditions. A sharp increase in the catalytic activity of Cs−Ru/MgO with an increase in pressure was observed at 400 °C for a reactant stream with higher H2 concentration. Relatively less interaction of H2 with the surface of the catalyst is suggested in the presence of NH3 produced during the reaction conducted at elevated temperature conditions. This less susceptibility for H2 adsorption on the active sites of the catalyst is a plausible reason for a higher rate of NH3 synthesis at higher temperature conditions. We modified the Temkin equation model by considering the adsorbed species on the surface of the catalyst affecting NH3 synthesis.
Ultrathin SiC Nanosheets with High Reduction Potential for Improved CH4 Generation from Photocatalytic Reduction of CO2
Authors: Han Cheng , Wang Bing , Wu Chunzhi , Shen Shujin , Zhang Xiaoshan , Sun Lian , Tian Qiong , Lei Yongpeng , Wang Yingde 
Published: February 2019

AbstractExploitation of low‐cost and efficient photocatalysts for selective reduction of CO2 into fuels such as methane or methanol is highly desired in the field of solar‐to‐fuel conversion. Herein, ultrathin SiC nanosheets (NSs) with high crystallinity are prepared using two‐dimensional reduced graphene oxide as sacrificial template. The ultrathin feature of SiC NSs readily shortens the migration distance of photoexcited carriers, thereby reducing the recombination probability and providing more energetic electrons to participate in CO2 reduction. Consequently, both the yield (3.11 μmol h−1 g−1) and selectivity (90.6%) of CH4 over SiC NSs demonstrate dramatic improvements in comparison with that of micro‐size SiC (0.76 μmol h−1 g−1, 77.9%) and commercial TiO2 (1.46 μmol h−1 g−1, 61.0%). The initial absorption and activation of CO2 molecules on the surface of SiC NSs is confirmed by the in situ diffuse reflectance infrared Fourier transform spectroscopy. The SiC NSs can promote the deep reduction of carbon intermediate into CH4 thanks to the strong reduction potential of photoexcited electrons. This work not only proves ultrathin SiC NSs to be a promising photocatalyst for CO2 reduction, but also provides novel insights into deep photoreduction of CO2 to CH4.
Structural health monitoring for delamination detection and location in wind turbine blades employing guided waves
Authors: Gómez Muñoz Carlos Quiterio , García Marquez Fausto Pedro , Hernandez Crespo Borja , Makaya Kena 
Published: February 2019

AbstractWind power is becoming one of the most important renewable energies in the world. The reduction in operating and maintenance costs of the wind turbines has been identified as one of the biggest challenges to establish this energy as an alternative to fossil fuels. Predictive maintenance can detect a potential failure at an early stage reducing operating costs. Structural health monitoring together with non‐destructive techniques are an effective method to detect incipient delamination in wind turbine blades. Ultrasonic guided waves offer possibilities to inspect delamination and disunion between layers in composite structures. Delamination results in a concentration of tensions in certain areas near the fault, which can propagate and create the total break of the blade. This paper presents a new approach for disunity detection between layers comparing two real blades, also new in the literature, one of them built with three disbonds introduced in its manufacturing process. The signals are denoised by Daubechies wavelet transform. The threshold for the denoising is obtained by a wavelet coefficients selection rule using the Birgé‐Massart penalization method. The signals were normalized and their envelopes were obtained by Hilbert transform. Finally, a pattern recognition based on correlations was applied.
Identification of steroid C27 monooxygenase isoenzymes involved in sterol catabolism and stepwise pathway engineering of Mycobacterium neoaurum for improved androst-1,4-diene-3,17-dione production
Authors: Shao Minglong , Zhang Xian , Rao Zhiming , Xu Meijuan , Yang Taowei , Xu Zhenghong , Yang Shangtian 
Published: February 2019

Abstract
Cholesterol oxidase, steroid C27 monooxygenase and 3-ketosteroid-Δ1-dehydrogenase are key enzymes involved in microbial catabolism of sterols. Here, three isoenzymes of steroid C27 monooxygenase were firstly characterized from Mycobacterium neoaurum as the key enzyme in sterol C27-hydroxylation. Among these three isoenzymes, steroid C27 monooxygenase 2 exhibits the strongest function in sterol catabolism. To improve androst-1,4-diene-3,17-dione production, cholesterol oxidase, steroid C27 monooxygenase 2 and 3-ketosteroid-Δ1-dehydrogenase were coexpressed to strengthen the metabolic flux to androst-1,4-diene-3,17-dione, and 3-ketosteroid 9α-hydroxylase, which catalyzes the androst-1,4-diene-3,17-dione catabolism, was disrupted to block the androst-1,4-diene-3,17-dione degradation pathway in M. neoaurum JC-12. Finally, the recombinant strain JC-12S2-choM-ksdd/ΔkshA produced 20.1 g/L androst-1,4-diene-3,17-dione, which is the highest reported production with sterols as substrate. Therefore, this work is hopes to pave the way for efficient androst-1,4-diene-3,17-dione production through metabolic engineering.
The 2018 ter Brugge Lecture: Problems with the Introduction of Innovations in Neurovascular Care
Authors: Raymond Jean , Fahed Robert , Roy Daniel , Darsaut Tim E. 
Published: February 2019

ABSTRACT:Most endovascular innovations have been introduced into clinical care by showing good outcomes in small enthusiastic case series of selected patients. Randomized clinical trials (RCTs) have rarely been performed, except for acute ischemic stroke, but even then most trial designs were too explanatory to inform clinical decisions. In this article, we review 2 × 2 tables and forest plots that summarize RCT results to examine methodological issues in the design and interpretation of clinical studies. Research results can apply in practice when RCTs are all-inclusive, pragmatic trials. Common problems include the following: (i) using restrictive eligibility criteria in explanatory trials, instead of including the diversity of patients in need of care, which hampers future generalizability of results; (ii) ignoring an entire line of the 2 × 2 table and excluding patients who do not meet the proposed criteria of a diagnostic test in its evaluation (perfusion studies) which renders clinical inferences misleading; (iii) ignoring an entire column of the 2 × 2 table and comparing different patients treated using the same treatment instead of different treatments in the same patients (the “wrong axis” comparisons of prognostic studies and clinical experience) which leads to unjustified treatment decisions and actions; or (iv) combining all aforementioned problems (case series and epidemiological studies). The most efficient and reliable way to improve patient outcomes, after as well as long before research results are available, is to change the way we practice: to use care trials to guide care in the presence of uncertainty.
A screening strategy for latent tuberculosis in healthcare workers: Cost-effectiveness and budget impact of universal versus targeted screening
Authors: Png May Ee , Yoong Joanne , Ong Catherine Wei Min , Fisher Dale , Bagdasarian Natasha 
Published: February 2019

AbstractObjective:To evaluate the clinical, cost-efficiency, and budgetary implications of universal versus targeted latent tuberculosis infection (LTBI) screening strategies among healthcare workers (HCWs) in an intermediate tuberculosis (TB)-burden country.Design:Pragmatic cost-effectiveness and budget impact analysis using decision-analytic modeling.Setting:A tertiary-care hospital in Singapore.Methods:We compared 7 potentially implementable LTBI screening programs including universal and targeted strategies with different screening frequencies. Feasible targeting methods included stratification by country of origin (a proxy for risk of prior TB exposure) and by high-risk occupation. The clinical and financial consequences of each strategy were estimated relative to “no screening” (current practice) and compared to locally appropriate cost-effectiveness thresholds. All analyses were conducted from the hospital’s perspective over a 3-year time horizon, based on the typical hospital planning period. Parameter uncertainties were accounted for using sensitivity analyses.Results:In our model, relative to current practice, screening new international hires and triennial screening of existing high-risk workers is most cost-effective (US$58 per quality adjusted life year [QALY]) and decreases active TB cases from 19 to 14. Screening all new hires combined with triennial universal screening, with or without annual high-risk screening or annual universal screening, reduced active TB to a range of 19 to 6 cases, but these strategies are less cost-effective and require substantially higher expenditures.Conclusions:Targeted LTBI screening for HCWs can be highly cost-effective for hospitals in settings similar to Singapore. More inclusive screening strategies (including regular universal screening) can yield better outcomes but are less efficient and may even be unaffordable.
The mid-frequency Square Kilometre Array phase synchronisation system
Authors: Schediwy S. W. , Gozzard D. R. , Gravestock C. , Stobie S. , Whitaker R. , Malan J. A. , Boven P. , Grainge K. 
Published: February 2019

AbstractThis paper describes the technical details and practical implementation of the phase synchronisation system selected for use by the Mid-Frequency Square Kilometre Array. Over a four-year period, the system has been tested on metropolitan fibre-optic networks, on long-haul overhead fibre at the South African Square Kilometre Array site, and on existing telescopes in Australia to verify its functional performance. The tests have shown that the system exceeds the 1-s Square Kilometre Array coherence loss requirement by a factor of 2 560, the 60-s coherence loss requirement by a factor of 239, and the 10-min phase drift requirement by almost five orders-of-magnitude. The paper also reports on tests showing that the system can operate within specification over all the required operating conditions, including maximum fibre link distance, temperature range, temperature gradient, relative humidity, wind speed, seismic resilience, electromagnetic compliance, frequency offset, and other operational requirements.
Lichenicolous ascomycetes onSiphula-like lichens, with a key to the species
Authors: MOTIEJŪNAITĖ Jurga , ZHURBENKO Mikhail P. , SUIJA Ave , KANTVILAS Gintaras 
Published: February 2019

AbstractSixteen species of lichenicolous fungi are documented fromSiphula-like lichens. Two new genera based on new species are introduced.AmylogallaSuija, Motiej. & Kantvilas, characterized by I+ blue, K/I+ violet vegetative hyphae and ascomatal wall, immersed, cleistohymenial, yellowish to orange ascomata, unitunicate, non-amyloid, 8-spored asci and hyaline, ellipsoid, aseptate ascospores, is described fromParasiphulain Tasmania.SaaniaZhurb., characterized by superficial, stromatic, multilocular ascomata, non-amyloid hymenial gel, persistent periphysoids, bitunicate, non-amyloid, 4(–8)-spored asci and narrowly obovate to ellipsoid, 1(–3)-septate, initially hyaline and smooth-walled, later sometimes brown and verruculose ascospores, is described fromSiphulain South Africa. Four additional species are described as new: two fromSiphula(Cercidospora santessoniiMotiej., Zhurb., Suija & Kantvilas andStigmidium kashiwadaniiZhurb.) and two fromParasiphula(Endococcus hafellnerianusMotiej., Suija & Kantvilas andPyrenidium macrosporumMotiej., Zhurb., Suija & Kantvilas). Additional hosts and/or expanded geographical ranges are reported forAabaarnia siphulicola,Epigloea soleiformis, Plectocarpon gayanumandPyrenidium actinellum. The Southern Hemisphere is the centre of species richness for siphulicolous fungi, with 12 species restricted to this region. Taxa recorded for the Northern Hemisphere areSphaerellothecium siphulae(arctic and boreal) and the subcosmopolitanEpigloea soleiformisandPyrenidium actinellum, both of which are also known from various lichen hosts. The distribution of siphulicolous fungi strongly underpins the current generic classification ofSiphula-like lichens, with five species being confined exclusively toParasiphulaand nine toSiphula. A key to the taxa occurring onSiphulaandParasiphulais provided.