bluuebunny/crossref_metadata_2025 huggingface dataset:
NMR-based metabolic profiling provides diagnostic and prognostic information in critically ill children with suspected infection
Authors: Grauslys Arturas , Phelan Marie M. , Broughton Caroline , Baines Paul B. , Jennings Rebecca , Siner Sarah , Paulus Stephane C. , Carrol Enitan D.
Published: November 2020

Sepsis, defined as life-threatening organ dysfunction caused by infection is difficult to distinguish clinically from infection or post-operative inflammation. We hypothesized that in a heterogeneous group of critically ill children, there would be different metabolic profiles between post-operative inflammation, bacterial and viral infection and infection with or without organ dysfunction. 1D1H nuclear magnetic resonance spectra were acquired in plasma samples from critically ill children. We included children with bacterial (n = 25) and viral infection (n = 30) and controls (n = 58) (elective cardiac surgery without infection). Principal component analysis was used for data exploration and partial least squares discriminant analysis models for the differences between groups. Area under receiver operating characteristic curve (AUC) values were used to evaluate the models. Univariate analysis demonstrated differences between controls and bacterial and viral infection. There was excellent discrimination between bacterial and control (AUC = 0.94), and viral and control (AUC = 0.83), with slightly more modest discrimination between bacterial and viral (AUC = 0.78). There was modest discrimination (AUC = 0.73) between sepsis with organ dysfunction and infection with no organ dysfunction. In critically ill children, NMR metabolomics differentiates well between those with a post-operative inflammation but no infection, and those with infection (bacterial and viral), and between sepsis and infection.
Weak orogenic lithosphere guides the pattern of plume-triggered supercontinent break-up
Authors: Dang Zhuo , Zhang Nan , Li Zheng-Xiang , Huang Chuan , Spencer Christopher J. , Liu Yebo
Published: November 2020

The importance of nonrigid geological features (such as orogens) inside tectonic plates on Earth’s dynamic evolution lacks thorough investigation. In particular, the influence of continent-spanning orogens on (super)continental break-up remains unclear. Here we reconstruct global orogens and model their controlling effects on Pangea break-up. We show that while loci of Pangea break-up are linked to mantle plumes, development of continental rifts is guided by orogens. Rifting at Central Atlantic is driven by the modelled plume responsible for the Central Atlantic Magmatic Province (CAMP) within Pangea-forming orogens. South Atlantic rifting is controlled by necking between Pangea- and Gondwana-forming orogens with the assistance of plume-induced lithospheric weakening. Without CAMP-induced weakening, South Atlantic rifting fails between the West African and Amazonian cratons, but occurs between the West African and Saharan cratons instead. Our modeling on Pangea break-up is able to recreate present-day continental geometry through the combined effect of orogens and plume center-locations.
The Medical School: Managing Safety in Medical Education
Authors: Thomason Diane , Brown Trisha , Combe Heather
Published: November 2020

The unique nature of medical education means that there are aspects to consider in managing health and safety which are unlikely to occur in other fields of education. Undergraduate medical students go into hospital and community settings and perform clinical procedures on patients, which exposes students to clinical risks not encountered in a typical higher education environment. Unlike most degree programmes, medicine is externally regulated, by the General Medical Council. Hence there are H&S challenges within a medical school setting which may be additional to those within typical degree courses, either due to the clinical environment, which is the responsibility of a third party, the course content, or the regulatory demands placed upon the medical school by the GMC. The authors work in the Faculty of Medicine, Imperial College London, of which the School of Medicine is a part. This chapter reflects our observations and experiences with undergraduate teaching activities and clinical placements; the research activities are similar to life science research in terms of the risks and how they are managed. We describe the structure of the programme, the pattern of accidents and incidents, and specific considerations with dissection of human cadavers.
The Role of Technical Staff in Maintaining Good Health and Safety
Authors: Hubble J. S. , Sheeley H. , Gallagher A.
Published: November 2020

The role of technical staff is vital to maintaining good health and safety culture and standards within the research environment. Technical staff are widely engaged in training, teaching and supporting researchers and students in the research environment, often with little formal supervisory or management relationships in place. They also generally ensure compliance with procedures and facilitate statutory maintenance and inspections of plant and equipment in their work area. In the face of the high turnover of research staff and students, technicians have traditionally maintained a continuation of support and retained institutional knowledge vital to safe laboratory operations. This may be put at risk due to factors affecting the technical community across the HE and research sectors. The ageing population profile amongst permanent technical staff, coupled with an increase in the popularity of fixed term contracts, presents a risk to this traditional, and somewhat assumed, support.
Innovation Spaces: the New Campus Risk Paradigm
Authors: Durak Tolga
Published: November 2020

To meet the ever-evolving challenges inherent in designing and managing innovation spaces within educational and research institutions, Environment, Health, & Safety (EHS) professionals must have a thorough understanding of risk management, the ability to adapt quickly to changing circumstances, and a willingness to work in collaboration with and achieve buy-in from their colleagues. This chapter provides a general understanding of the recommended steps for preliminary laboratory design, the unique differences associated with innovation spaces compared to traditional laboratories, an overview of traditional and newly-adopted risk management frameworks, and then “zooms out” and introduces useful considerations for safety professionals' enabling innovation going into the future.
Organise Not Agonise – Getting the Best from Audits and Inspections
Authors: Cotton Julia
Published: November 2020

Routine checks on the effectiveness of an organisation or function's health and safety management system are essential – regardless of whether an organisation is dynamic or has been in stasis for years, some form of monitoring will be needed. This chapter examines the importance of checking and reviewing one's health and safety management system, and discusses different methodologies. It covers concerns, successes and causes of failures around auditing, starting with a focus on interfaces, where there is often uncertainty and a lack of knowledge as to who is responsible or in control. Such areas have been the cause of most health and safety management problems, and as such are generally the most fruitful for an auditor.
Biomaterial strategies to replicate gynecological tissue
Authors: Cadena Ines , Chen Athena , Arvidson Aaron , Fogg Kaitlin C.
Published: November 2020

Properties of native tissue can inspire biomimetic in vitro models of gynecological disease.
A functionalized metal organic framework-laden nanoporous polymer electrolyte for exceptionally stable lithium electrodeposition
Authors: Qing Xia , Li Jiarui , Wang Zongtao , Chen Mao , Lin Jun , Lin Xinrong
Published: November 2020

A nanoporous MOF-laden polymer electrolyte mediated by an electronic effect shows remarkably high lithium electrodeposition stability over 1500 h and minimum polarization.
Probing self-regeneration of essential protein factors required for in vitro translation activity by serial transfer
Authors: Libicher Kai , Mutschler Hannes
Published: November 2020

Recombinant in vitro translation systems can regenerate essential protein components that maintain protein synthesis during serial dilution.
Relation between structural patterns and magnetism in small iron oxide clusters: reentrance of the magnetic moment at high oxidation ratios
Authors: Aguilera-del-Toro R. H. , Aguilera-Granja F. , Torres M. B. , Vega A.
Published: November 2020

Unexpected reentrance of magnetism in iron oxide nanoparticles at high oxidation ratios.
Role of different tautomers in the base-pairing abilities of some of the vital antiviral drugs used against COVID-19
Authors: Jena N. R.
Published: November 2020

Base-pair mutations induced by different tautomers of anti-viral drugs are the main reasons for their anti-viral activities.
Single-molecule magnets under dc field with an anion effect: self-assembly of pure dysprosium(iii) metallacycles
Authors: Wu Jianfeng , Yang Qianqian , Wang Haoyu , Ge Yan , Tang Jinkui , Qi Zhenhui
Published: November 2020

The anion-adaptive self-assembly described here not only offers a facile approach to produce large single-molecule magnets but also provides an understanding of how structural factors affect the magnetic properties.
2-Pyridone-stabilized iridium silylene/silyl complexes: structure and QTAIM analysis
Authors: Guzmán Jefferson , Bernal Ana M. , García-Orduña Pilar , Lahoz Fernando J. , Polo Víctor , Fernández-Alvarez Francisco J.
Published: November 2020

An example of chelate-stabilized iridium-silylene complexes.
Insights into the antiproliferative mechanism of (C^N)-chelated half-sandwich iridium complexes
Authors: Ramos Robin , Zimbron Jérémy M. , Thorimbert Serge , Chamoreau Lise-Marie , Munier Annie , Botuha Candice , Karaiskou Anthi , Salmain Michèle , Sobczak-Thépot Joëlle
Published: November 2020

Half-sandwich iridium complexes comprising phenyloxazoline-type chelating ligands elicited HeLa cell death by apoptosis in relation with the intracellular production of hydrogen peroxide.
Correction: Dietary riboflavin deficiency induces genomic instability of esophageal squamous cells that is associated with gut microbiota dysbiosis in rats
Authors: Pan Feng , Xu Xin , Zhang Ling-Li , Luo Hong-Jun , Chen Ye , Long Lin , Wang Xuan , Zhuang Pei-Tong , Li En-Min , Xu Li-Yan
Published: November 2020

Correction for ‘Dietary riboflavin deficiency induces genomic instability of esophageal squamous cells that is associated with gut microbiota dysbiosis in rats’ by Feng Pan et al., Food Funct., 2020, DOI: 10.1039/d0fo01944e.
Tunable, UV-shielding and biodegradable composites based on well-characterized lignins and poly(butylene adipate-co-terephthalate)
Authors: Wang Han-Min , Wang Bin , Yuan Tong-Qi , Zheng Lu , Shi Quentin , Wang Shuang-Fei , Song Guo-Yong , Sun Run-Cang
Published: November 2020

Biodegradable composite materials are increasingly imperative in modern society owing to their eco-friendly character, and further reducing costs and improving compatibility of composites will facilitate their applications.
Correction: Making the move towards modernized greener separations: introduction of the analytical method greenness score (AMGS) calculator
Authors: Hicks Michael B. , Farrell William , Aurigemma Christine , Lehmann Laurent , Weisel Lauren , Nadeau Kelly , Lee Heewon , Moraff Carol , Wong Mengling , Huang Yun , Ferguson Paul
Published: November 2020

Correction for ‘Making the move towards modernized greener separations: introduction of the analytical method greenness score (AMGS) calculator’ by Michael B. Hicks et al., Green Chem., 2019, 21, 1816–1826, DOI: 10.1039/C8GC03875A.
Peptide directed phthalocyanine–gold nanoparticles for selective photodynamic therapy of EGFR overexpressing cancers
Authors: Goddard Zoë Rachael , Beekman Andrew Michael , Cominetti Marco M. D. , O'Connell Maria A. , Chambrier Isabelle , Cook Michael J. , Marín María J. , Russell David A. , Searcey Mark
Published: November 2020

Gold nanoparticles, covalently functionalised with the photosensitiser C11Pc and PEG, were actively targeted towards epidermal growth factor receptor overexpressing cancers using the peptide FITC-βAAEYLRK, with selective phototoxicty observed.
Microwave-assisted green synthesis of bile acid derivatives and evaluation of glucocorticoid receptor binding
Authors: Vasiljević Bojana R. , Petri Edward T. , Bekić Sofija S. , Ćelić Andjelka S. , Grbović Ljubica M. , Pavlović Ksenija J.
Published: November 2020

Green synthesis of bile acids derivatives and 5β-cholanic acid was achieved under microwave irradiation, and the binding affinity for the ligand binding domain of the glucocorticoid receptor was measured.
Nanoscale growth of a Sn-guided SiGeSn alloy on Si (111) substrates by molecular beam epitaxy
Authors: Wang Liming , Zhang Yichi , Sun Hao , You Jie , Miao Yuanhao , Dong Zuoru , Liu Tao , Jiang Zuimin , Hu Huiyong
Published: November 2020

Lateral and vertical growth modes of defect-free SiGeSn nanostructures are observed and systematically investigated both experimentally and theoretically.
Controlled synthesis of few-layer SnSe2 by chemical vapor deposition
Authors: An Boxing , Ma Yang , Zhang Guoqing , You Congya , Zhang Yongzhe
Published: November 2020

Few-layer SnSe2 has intrinsic low thermal conductivity and unique phase transition from amorphous to crystalline state under laser irradiation.
Local probe investigation of electrocatalytic activity
Authors: Limani N. , Boudet A. , Blanchard N. , Jousselme B. , Cornut R.
Published: November 2020

Investigation of electrocatalytic materials with scanning probe techniques (SECM, SICM, SECCM and AFM) for energy storage and conversion devices.
Universal quenching of common fluorescent probes by water and alcohols
Authors: Maillard Jimmy , Klehs Kathrin , Rumble Christopher , Vauthey Eric , Heilemann Mike , Fürstenberg Alexandre
Published: November 2020

Overtones and combinations of O–H vibrations in the solvent efficiently quench red-emitting fluorophores by resonant energy transfer.
Mg-protoporphyrin IX monomethyl ester cyclase from Rhodobacter capsulatus: radical SAM-dependent synthesis of the isocyclic ring of bacteriochlorophylls
Authors: Wiesselmann Milan , Hebecker Stefanie , Borrero-de Acuña José M. , Nimtz Manfred , Bollivar David , Jänsch Lothar , Moser Jürgen , Jahn Dieter
Published: November 2020

During bacteriochlorophyll a biosynthesis, the oxygen-independent conversion of Mg-protoporphyrin IX monomethyl ester (Mg-PME) to protochlorophyllide (Pchlide) is catalyzed by the anaerobic Mg-PME cyclase termed BchE. Bioinformatics analyses in combination with pigment studies of cobalamin-requiring Rhodobacter capsulatus mutants indicated an unusual radical S-adenosylmethionine (SAM) and cobalamin-dependent BchE catalysis. However, in vitro biosynthesis of the isocyclic ring moiety of bacteriochlorophyll using purified recombinant BchE has never been demonstrated. We established a spectroscopic in vitro activity assay which was subsequently validated by HPLC analyses and H218O isotope label transfer onto the carbonyl-group (C-131-oxo) of the isocyclic ring of Pchlide. The reaction product was further converted to chlorophyllide in the presence of light-dependent Pchlide reductase. BchE activity was stimulated by increasing concentrations of NADPH or SAM, and inhibited by S-adenosylhomocysteine. Subcellular fractionation experiments revealed that membrane-localized BchE requires an additional, heat-sensitive cytosolic component for activity. BchE catalysis was not sustained in chimeric experiments when a cytosolic extract from E. coli was used as a substitute. Size-fractionation of the soluble R. capsulatus fraction indicated that enzymatic activity relies on a specific component with an estimated molecular mass between 3 and 10 kDa. A structure guided site-directed mutagenesis approach was performed on the basis of a three-dimensional homology model of BchE. A newly established in vivo complementation assay was used to investigate 24 BchE mutant proteins. Potential ligands of the [4Fe-4S] cluster (Cys204, Cys208, Cys211), of SAM (Phe210, Glu308 and Lys320) and of the proposed cobalamin cofactor (Asp248, Glu249, Leu29, Thr71, Val97) were identified.
Air‐core dry‐type shunt reactor protection based on an alternative current alpha plane
Authors: Almeida Maria Leonor Silva de , Peres Larissa Marques , Santos Guilherme Gomes dos
Published: November 2020

This paper proposes an alternative current alpha plane protection for shunt reactors, which is able to identify internal faults, including turn‐to‐turn faults. The proposed algorithm is based only on zero sequence and neutral currents, eliminating the need for voltage measurements. Furthermore, the proposed algorithm is based on an alternative current alpha plane, where the restraint characteristic is defined simply as its left half‐plane, in such a way that minimal settings are required. In order to evaluate the performance of the proposed algorithm, the Alternative Transients Program was used to simulate different internal faults into an air‐core dry‐type shunt reactor connected to a 230 kV/60 Hz transmission line. The proposed algorithm performance was compared with the restricted earth fault function. From the obtained results, it is demonstrated that the proposed protection properly operates in turn‐to‐ground and turn‐to‐turn faults with operation times shorter than one power cycle, even for 1% of short‐circuited turns. On the other hand, restricted earth fault function failed to operate in some of these cases. The proposed algorithm ensured the integrity of the air‐core dry‐type shunt reactors in all evaluated scenarios, correctly restraining in all simulated external faults (including cases with current transformer saturation). Thus, the proposed algorithm is considered a reliable and promising alternative for shunt reactors protection.
Traumatic brain injury probability of survival assessment in adults using iterative random comparison classification
Authors: Salah Mohammed , Saatchi Reza , Lecky Fiona , Burke Derek
Published: November 2020

Trauma brain injury (TBI) is the most common cause of death and disability in young adults. A method to determine the probability of survival (Ps) in trauma called iterative random comparison classification (IRCC) was developed and its performance was evaluated in TBI. IRCC operates by iteratively comparing the test case with randomly chosen subgroups of cases from a database of known outcomes (survivors and not survivors) and determines the overall percentage match. The performance of IRCC to determine Ps in TBI was compared with two existing methods. One was Ps14 that uses regression and the other was predictive statistical diagnosis (PSD) that is based on Bayesian statistic. The TBI database contained 4124 adult cases (mean age 67.9 years, standard deviation 21.6) of which 3553 (86.2%) were survivors and 571 (13.8%) were not survivors. IRCC determined Ps for the survivors and not survivors with an accuracy of 79.0 and 71.4%, respectively, while the corresponding values for Ps14 were 97.4% (survivors) and 40.2% (not survivors) and for PSD were 90.8% (survivors) and 50% (not survivors). IRCC could be valuable for determining Ps in TBI and with a suitable database in other traumas.
Asymmetrical grid control with power electronic regulator in distribution level
Authors: Kortenbruck Jan , Premgamone Tawichai , Ortjohann Egon , Holtschulte Daniel , Leksawat Sasiphong , Schmelter Andreas , Varada Shashank , Morton Danny
Published: November 2020

As the amount of decentralised generation is continuously increasing, the control and maintenance of grid stability become more complex. This is mainly caused by a change of production capacities from the high‐voltage area to the distribution network. As most renewable energy sources in the distribution network are nowadays connected to power electronic converters, harmonic distortion as well as asymmetries (electric vehicle chargers, household photovoltaic systems) are increased. To ensure stability, reliability, and efficiency of the energy distribution network, a grid regulator including asymmetrical and harmonic control is introduced. This grid regulator consists of two inverter systems, where one is connected by a series booster transformer in line, while the other is connected in parallel to the line, capable of decoupling network segments from each other. After a successful verification in simulation, the control structure is implemented in a real hardware setup. The results show that the introduced system is able to decouple network elements in case of an unbalanced situation as well as harmonic current and voltage distortion. To simplify inverter hardware a silicon carbide hardware topology is introduced with a reduced number of switches. Lower switching losses result in higher overall system efficiency.
Design, implementation and experimental results of an inductive power transfer system for electric bicycle wireless charging
Authors: Pellitteri Filippo , Campagna Nicola , Castiglia Vincenzo , Damiano Alfonso , Miceli Rosario
Published: November 2020

The use of renewable energy and the transformation of transport mode are crucial items for achieving an efficient and clean electrical mobility that allow being competitive on the market. In this context the interface between the power system and the Electric Vehicles (EVs) assumes a strategic role. Specifically, wireless energy transmission, based on Inductive Power Transfer (IPT), is an attractive solution for EVs charging. Moreover, the use of electric bicycles or kick scooters as mode of urban transport is continuously growing because they are lightweight, sustainable, easily parking, flexible and efficient transport devices. Owing to its benefits, the wireless power transfer can be considered suitable for those devices. In fact, IPT can also be exploited for Vehicle‐To‐Grid (V2G), where the wireless power flow can occur from battery to power grid as well. For E‐bike applications, bicycle‐to‐grid or bicycle‐to‐bicycle energy transfer are viable solutions by means of a Bi‐Directional Inductive Power Transfer (BDIPT). In this paper, a 300 W IPT wireless charger prototype for E‐bikes is proposed. Modelling, design, simulation and experimental results of this prototype are provided. Open‐loop and closed‐loop tests have been performed, focusing on system behaviour for different cases of load, distance and misalignment between the coils.
Impedance stability analysis and impedance remodelling of matrix converter grid‐connected system
Authors: Wang Rutian , He Guoqing , Zhang Bo
Published: November 2020

Matrix converter has become one of the research hotspots of power electronic converter due to its excellent input and output characteristics and adjustable power factor. To study the stability of the matrix converter grid‐connected system, the harmonic linearisation method is adopted to model the positive and negative sequence output impedance models of the matrix converter grid‐connected system. The stability of the system is analysed by judging whether the plot of the ratio of the input impedance to the positive and negative sequence output impedance satisfies the Nyquist stability criterion. Also, an impedance remodelling method based on the positive sequence impedance is proposed to improve the stability of the system. Finally, the simulation verification is carried out by MATLAB/Simulink. The simulation results prove the correctness of the theoretical analysis and the feasibility of the impedance remodelling method.
Comparison of straight line curve fit approaches for determining parameter variances and covariances
Authors: Ramnath Vishal
Published: November 2020

Pressure balances are known to have a linear straight line equation of the formy = ax + bthat relates the applied pressurexto the effective areay, and recent work has investigated the use of Ordinary Least Squares (OLS), Weighted Least Squares (WLS), and Generalized Least Squares (GLS) regression schemes in order to quantify the expected values of the zero-pressure areaA0 = band distortion coefficientλ = a/bin pressure balance models of the formy = A0(1 + λx). The limitations with conventional OLS, WLS and GLS approaches is that whilst they may be used to quantify the uncertaintiesu(a) andu(b) and the covariancecov(a,b), it is technically challenging to analytically quantify the covariance termcov(A0,λ) without additional Monte Carlo simulations. In this paper, we revisit an earlier Weighted Total Least Squares with Correlation (WTLSC) algorithm to determine the variancesu2(a) andu2(b) along with the covariancecov(a,b), and develop a simple analytical approach to directly infer the corresponding covariancecov(A0,λ) for pressure metrology uncertainty analysis work. Results are compared to OLS, WLS and GLS approaches and indicate that the WTLSC approach may be preferable as it avoids the need for Monte Carlo simulations and additional numerical post-processing to fit and quantify the covariance term, and is thus simpler and more suitable for industrial metrology pressure calibration laboratories. Novel aspects is that a Gnu Octave/Matlab program for easily implementing the WTLSC algorithm to calculate parameter expected values, variances and covariances is also supplied and reported.
Introduction: Development, Young People, and the Social Production of Aspirations
Authors: Huijsmans Roy , Ansell Nicola , Froerer Peggy
Published: November 2020

In this editorial introduction to the Special Issue Youth, Aspirations and the Life Course: Development and the social production of aspirations in young people’s lives, we put the work presented in this collection in conversation with the wider literature on development, youth and aspirations. Aspiration we define as an orientation towards a desired future. We elaborate on our conceptualisation of aspirations as socially produced and reflect on the methodological challenges in researching young people’s aspirations in development. While mindful of the various critiques of aspiration research we argue that aspirations constitute fertile terrain for theorising the temporal dynamics of being young and growing up in contexts of development.
Rational design of spinel oxides as bifunctional oxygen electrocatalysts for rechargeable Zn-air batteries
Authors: Dai Yawen , Yu Jie , Ni Meng , Shao Zongping
Published: November 2020

Rechargeable (secondary) zinc-air batteries (ZABs) are a highly attractive type of electrochemical energy storage device with high theoretical energy density, an outstanding safety record, and low cost. The performance of ZABs strongly depends on the development of bifunctional electrocatalysts toward oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Spinel oxides (AB2O4) have received particular attention because of their high chemical stability under operation conditions, rich raw materials, and compositional flexibility, which provides ample room for the design of spinel-structured oxides for ORR/OER catalysis. Many spinel oxides have been successfully applied as air cathodes in ZABs, but the related research is rather scattered. In this review paper, we will provide an in-time comprehensive review of the recent advances in the development of spinel oxides as ORR/OER electrocatalysts and their particular application as air electrodes in rechargeable ZABs. First, we will introduce the electrochemical fundamentals of OER and ORR on spinel oxides and the key factors determining their activity. Then, we will present the activity regulation strategies of spinel oxides and the performance of rechargeable ZABs using spinel-based air cathodes. Finally, we will highlight the current challenges and future developing directions of spinel-based air cathodes. This review could inspire further mechanistic study of the ORR/OER catalysis on spinel oxides and the development of high-performance air cathodes.
Study of mass transfer behavior in positive electrode of lithium air battery by mesoscopic simulation
Authors: Xiao Jianyu , Sun Hong , Yu Mingfu , Zhang Tianyu , Li Jie
Published: November 2020

A mesoscopic mass transfer model of the lithium air battery was developed by the coarse-grained molecular dynamics simulation method, which focused on diffusion and the order of positive mass transfer in mesoscopic conditions of the lithium air battery. Based on the principle of a Martini force field, the Mesocite module in Material Studio was used to establish a mesoscopic model. The change trend of the diffusion coefficients of H2O, Li+, OH−, and O2 beads in the solution distribution situation was studied. The effects of temperature, carbon nanotube length, carbon nanotube content, and electrolyte concentration for the lithium air battery were discussed. The type of carbon nanotubes and the quality of different mixed carbon nanotubes on the diffusion coefficient were also analyzed in the positive electrode of the lithium air battery. The study found that increasing the porosity of the system, reducing the concentration of the electrolyte, and adjusting the complexity of the system are conducive to the improvement of the diffusion coefficient of each particle in the solution system.
Accelerating the convergence of auxiliary-field quantum Monte Carlo in solids with optimized Gaussian basis sets
Authors: Morales Miguel A. , Malone Fionn D.
Published: November 2020

We investigate the use of optimized correlation-consistent Gaussian basis sets for the study of insulating solids with auxiliary-field quantum Monte Carlo (AFQMC). The exponents of the basis set are optimized through the minimization of the second-order Møller–Plesset perturbation theory (MP2) energy in a small unit cell of the solid. We compare against other alternative basis sets proposed in the literature, namely, calculations in the Kohn–Sham basis and in the natural orbitals of an MP2 calculation. We find that our optimized basis sets accelerate the convergence of the AFQMC correlation energy compared to a Kohn–Sham basis and offer similar convergence to MP2 natural orbitals at a fraction of the cost needed to generate them. We also suggest the use of an improved, method independent, MP2-based basis set correction that significantly reduces the required basis set sizes needed to converge the correlation energy. With these developments, we study the relative performance of these basis sets in LiH, Si, and MgO and determine that our optimized basis sets yield the most consistent results as a function of volume. Using these optimized basis sets, we systematically converge the AFQMC calculations to the complete basis set and thermodynamic limit and find excellent agreement with experiment for the systems studied. Although we focus on AFQMC, our basis set generation procedure is independent of the subsequent correlated wavefunction method used.
Effects of mobile oxygen ions in top-gated synthetic antiferromagnet structure
Authors: Sahu Protyush , Zhang Delin , Peterson Thomas , Wang Jian-Ping
Published: November 2020

In this work, we study the effects of mobile oxygen ions in a synthetic antiferromagnet structure gated by a sputtered SiO2 dielectric layer for memory and logic applications. Our devices utilize electrochemical reactions between dielectric reactive species and magnetic elements to create irreversible changes in magnetization. We analyzed the dependence of ion velocity on the gate dielectric properties such as the lattice parameter, oxygen migration energy barrier, and electric field (E-field). Hall bar devices were patterned and tested to determine the interlayer exchange coupling between the CoFeB and [Co/Pd]n layers. The anomalous Hall effect (AHE) of the CoFeB layer at different gate voltages (Vg) was measured to determine the Vg dependence. A sharp change in the behavior of the CoFeB layer with respect to negative Vg results in a non-reciprocal decrease in the coercivity and magnetization and an increase in exchange bias. The observed change in exchange bias field and magnetization allows us to measure the change in the effective thickness of the CoFeB layer. This led us to conclude that the source of such behavior is the negatively charged mobile oxygen ions from the SiO2 gate.
Nonvolatile tuning of the spin–orbit coupling in graphene by a ferroelectric dipole
Authors: Park Jungmin , Choi Jonghyeon , Oh Inseon , Lee Ah-Yeon , Ahn Chang Won , Koo Seulgi , Yoo Jung-Woo , Jo Younghun
Published: November 2020

Spin–orbit coupling (SOC) offers an alternative technique for generating pure spin currents in non-magnetic materials and controlling spin precessions for spin-field effect transistors. In addition, introducing SOC into graphene causes pristine graphene to evolve into a new condensed matter phase, such as the topological insulator state (quantum spin Hall state). Thus, the control of SOC in graphene is essential for its functional spin-orbitronic applications. Here, we report the nonvolatile tuning of SOC in graphene through the proximity effect from a ferroelectric substrate, Pb(Zr52,Ti48)O3 (PZT). Ferroelectric poling by applying a gate voltage induces a change in the SOC strength in addition to shifting the charge neutral point in graphene. The variations in SOC were extracted from weak localization within the quantum interference theory of graphene. Our analyses show that the dipole moments from the PZT polarization significantly enhance the z → −z asymmetric and symmetric SOCs of graphene. Unlike the impurity doping and/or gating, our methodology leads to the nonvolatile electrical control of SOC, thereby paving the way for versatile spin-orbitronic applications of graphene.
Far-infrared spectroscopy of folded transverse acoustic phonons in 4H–SiC
Authors: Shalygin V. A. , Adamov R. B. , Moldavskaya M. D. , Vinnichenko M. Ya. , Firsov D. A.
Published: November 2020

The weakest mode of the infrared active folded phonons in 4H–SiC, folded transverse acoustic (FTA) mode, has been experimentally studied. The lifetime of the FTA phonons has been determined. The lifetime is 58 ± 4 ps at room temperature and increases to 140 ± 7 ps when the temperature is decreased to 5 K. These results were obtained by the experimental study of far-infrared transmission of the SiC crystal and its theoretical simulation using an oscillator model for the dielectric function around the phonon resonance. The FTA phonon lifetime was a fitting parameter of the model when analyzing the irregular interference pattern in the transmission spectrum measured with a high resolution (0.2 cm−1). Oscillator strength of the FTA phonon resonance has also been determined. It is equal to (6.0 ± 0.5)×10−4 and does not depend on temperature.
Integrating patient complexity into health policy: a conceptual framework
Authors: Maree Peter , Hughes Roger , Radford Jan , Stankovich Jim , Van Dam Pieter Jan
Published: November 2020

Objective Clinicians across all health professions increasingly strive to add value to the care they deliver through the application of the central tenets of people-centred care (PCC), namely the ‘right care’, in the ‘right place’, at the ‘right time’ and ‘tailored to the needs of communities’. This ideal is being hampered by a lack of a structured, evidence-based means to formulate policy and value the commissioning of services in an environment of increasing appreciation for the complex health needs of communities. This creates significant challenges for policy makers, commissioners and providers of health services. Communities face a complex intersection of challenges when engaging with healthcare. Increasingly, complexity is gaining prominence as a significant factor in the delivery of PCC. Based on the World Health Organization (WHO) components of health policy, this paper proposes a policy framework that enables policy makers, commissioners and providers of health care to integrate a model of complexity into policy, subsequent service planning and development of models of care. Methods The WHO components of health policy were used as the basis for the framework. Literature was drawn on to develop a policy framework that integrates complexity into health policy. Results Within the framework, complexity is juxtaposed between the WHO components of ‘vision’, ‘priorities’ and ‘roles’. Conclusion This framework, supported by the literature, provides a means for policy makers and health planners to conduct analyses of and for policy. Further work is required to better model complexity in a manner that integrates consumer needs and provider capabilities. What is known about the topic? There is a growing body of evidence regarding patient complexity and its impact on the delivery of health services, but there is little consideration of patient complexity in policy, which is an important consideration for service provision. What does this paper add? This paper presents an argument for the inclusion of patient complexity in health policy and provides a framework for how that might occur. What are the implications for practitioners? The inclusion of patient complexity in policy could provide a means for policy makers to consider the factors that contribute to patient complexity in service provision decisions.
Sulfur and nitrogen responses by barley and wheat on a sandy soil in a semi-arid environment
Authors: Conyers M. K. , Holland J. E. , Haskins B. , Whitworth R. , Poile G. J. , Oates A. , van der Rijt V. , Tavakkoli E.
Published: November 2020

Soil testing guidelines for sulfur (S) under dryland cropping in south-eastern Australia are not well developed. Our objective was to assess the value of soil and tissue tests for S and nitrogen (N), because the two minerals frequently interact), in predicting S-deficient sites and hence increasing the probability of response to application of S (and N). Here, we report three proximal experiments in 2014–16 for barley (Hordeum vulgare L.) and wheat (Triticum aestivum L.) on a sandy soil in a semi-arid environment near Merriwagga in western New South Wales. The trials contained a factorial combination of four rates of each of applied N as urea and S as high-grade gypsum.
Responses to S were obtained for dry matter (DM) quantity and nutrient content at flowering in 2014, but no grain-yield response was obtained in any year. DM response to applied S was obtained when the concentration of S in the DM was increased from 0.08% in barley and 0.09% in wheat without S application to 0.10–0.11% in both crops with S applied as gypsum. Because we obtained no grain-yield responses to applied S, the 0.10% S in grain was likely to have been adequate for both crops in these experiments. A pool of subsoil S was accessed during each season and this compensated for any DM deficiencies of S by the time of grainfill. Shallow soil tests (0–10 cm) for S can therefore indicate sufficiency but not necessarily deficiency; therefore, in grain-cropping areas, we recommend soil S tests on the same samples as used for deep N testing (to 60 cm) and that an S-budgeting approach be used following the soil tests. Furthermore, for marginal nutritional circumstances such as occurred in this study, the supporting use of N:S ratio is recommended, with values >17 in DM or grain likely to indicate S deficiency for both barley and wheat.
A call for collaboration: linking local and non-local rangeland communities to build resilience
Authors: Phelps David , Kelly Dana
Published: November 2020

The people who live in Australia’s rangelands are vital for maintaining natural systems, agricultural production, infrastructure for tourism and many services and products which benefit the nation. However, the number of people living within many rangeland regions is declining, services are being withdrawn and resilience undermined. Social capital is an important concept within the resilience literature. Bonding social capital is based strong ties within relatively homogenous local groups, bridging social capital is based on ties between more diverse local groups and linking social capital is based on ties between local and external groups. Within the rangelands, there are often strong bonding and bridging social capitals based on internal social and formal connections, but gaps in linking social capital due to weak or imbalanced connections with external groups and organisations. There is evidence that all three social capitals are needed for regional resilience, and the gap in linking is thus a key issue. People who live outside the rangelands can help rebuild this resilience by linking their skills, knowledge and expertise with local groups and communities. Many city-based scientists, policy makers, influencers and other professionals work in and have empathy for the rangelands. By connecting meaningfully with local groups such as Landcare, service clubs, philanthropic groups or Indigenous Rangers, they would find many benefits to their own endeavours through improved policies, knowledge and service delivery. Central-western Queensland is provided as an example where many such mutual benefits and networks already exist, offering pathways for linking local residents with external experts. Current platforms offer opportunities for a greater range of external academic institutions and organisations to engage with locals, with everyone standing to gain.
Single-molecule and in silico dissection of the interaction between Polycomb repressive complex 2 and chromatin
Authors: Leicher Rachel , Ge Eva J. , Lin Xingcheng , Reynolds Matthew J. , Xie Wenjun , Walz Thomas , Zhang Bin , Muir Tom W. , Liu Shixin
Published: November 2020

Significance

Polycomb repressive complex 2 (PRC2) is a major epigenetic machinery that maintains transcriptionally silent heterochromatin in the nucleus and plays critical roles in embryonic development and oncogenesis. It is generally thought that PRC2 propagates repressive histone marks by modifying neighboring nucleosomes in strictly linear progression. However, the behavior of PRC2 on native-like chromatin substrates remains incompletely characterized, making the precise mechanism of PRC2-mediated heterochromatin maintenance elusive. Here we use single-molecule force spectroscopy and computational modeling to dissect the interactions between PRC2 and polynucleosome arrays. Our results provide direct evidence that PRC2 can simultaneously engage nonadjacent nucleosome pairs. The demonstration of PRC2's ability to bridge noncontiguous chromosomal segments furthers our understanding of how Polycomb complexes spread epigenetic modifications and compact chromatin.
Structure and regulation of the BsYetJ calcium channel in lipid nanodiscs
Authors: Li Chieh-Chin , Kao Te-Yu , Cheng Chu-Chun , Chiang Yun-Wei
Published: November 2020

Significance

The endoplasmic reticulum (ER) serves as the major intracellular calcium store. The release of calcium from this store regulates a variety of cellular functions, hence playing a key role in regulating apoptosis. The transmembrane BAX inhibitor-1 motif-containing 6 (TMBIM6) is an evolutionarily conserved multifunctional ER membrane protein that mediates calcium homeostasis to protect against apoptosis and ER stress. We study a bacterial homolog of TMBIM6 and report several previously unidentified conformational substates involved in the calcium transport process. Our findings stimulate a model of calcium-release channel showing that membrane protein functioning requires the interconversion between distinct conformations in preexisting conformational equilibria.
Student teachers’ expectations and their sense of fulfillment in a TESOL program
Authors: Mori Yoko , Stracke Elke
Published: November 2020

Student expectations have increasingly become a focus in Second Language Acquisition research. This study takes a
closer look at student teachers’ expectations in a Master of Arts TESOL program at an Australian university to investigate their
expectations and sense of fulfillment of these expectations. We employed a sequential explanatory mixed-methods design and
conducted a questionnaire (N = 31) and interviews (N = 6) with student teachers. The results
show that student teachers expect a well-balanced curriculum of theory and practice and consider teaching practice their top
priority. While the expectations of most TESOL student teachers are met, different language profiles can lead to different
expectations and potential conflict. Contrary to most previous research, this study showed that unmet expectations do not
necessarily lead to unfavorable outcomes because of the student teachers’ ability to adjust in various ways. The study concludes
with a discussion of implications for practice and future research.
On verbal and situational irony
Authors: Ruiz de Mendoza Ibáñez Francisco José , Lozano-Palacio Inés
Published: November 2020

This chapter treats the notion of ironic echo as
subsidiary to the broader notion of epistemic
scenario, which applies to both verbal and situational
irony. In verbal irony, the existence of an epistemic scenario takes
the shape of a pretended agreement with someone’s
beliefs, which can be materialized in agreement expressions of
various kinds including echoic mentions. In situational irony, the
epistemic scenario is built on a generally reliable assumption about
a state of affairs. Finally, situational irony can be embedded
within a communicative context, an observation which allows for a
classification of ironic types that overrides the traditional verbal
irony-situational irony dichotomy. The resulting account provides a
single unified framework for the study of irony.
Measuring the impact of (non)figurativity in the cultural
conceptualization of emotions in the two main national varieties of
Portuguese
Authors: Soares da Silva Augusto
Published: November 2020

This chapter investigates the impact of
conceptual metaphor on the cultural variation of emotions in
European and Brazilian Portuguese (EP/BP). Adopting a usage-based,
sociocognitive view of language and applying a corpus-based and
profile-based methodology, this study combines a multifactorial
usage-feature and metaphorical profile analysis of 1,100 examples of
anger and pride with their subsequent
multivariate statistics modeling. BP seems more connected with
complaining anger and the metaphorically unrestrained and
perceptible manifestation of anger. Also, BP is closer to
self-centered pride and the metaphorically visible manifestation of
pride. In contrast, EP seems more akin to violent and interpersonal
anger and the metaphorically profiled somatization of anger. Also,
EP is more associated with other-directed pride and the
personification of pride as an honored person. These statistically
significant associations are consistent with the more
individualistic, indulgent, and emotionally expressive culture of
Brazil and the more collectivistic and restrained culture of
Portugal.
Perfect and negation
Authors: Arkadiev Peter
Published: November 2020

I analyze the interaction of the periphrastic
perfect and negation in Lithuanian, where the negative prefix can
attach both to the auxiliary and to the lexical verb. I argue that
the position of negation correlates with its semantic scope with
respect to the perfect. The Lithuanian data are compared to those of
the genetically related and geographically neighbouring languages,
such as Latvian, Slavic vernaculars and Baltic Finnic, as well as to
a number of similar phenomena in different languages of Eurasia that
possess constructions expressing the low scope of negation with
respect to the perfect or resultative.
The functions of the auxiliary ‘have’ in Australian English vivid
narratives
Authors: Ritz Marie-Eve , Richard Sophie
Published: November 2020

The present chapter builds on earlier work
showing that the Present Perfect (PP) in Australian English (AusE)
narratives and police media reports has acquired some of the
functions of the Simple Past (SP). It focuses more specifically on
subject-auxiliary ellipsis in sequences of non-standard PP clauses
with the aim of better understanding auxiliary scope in such
segments. Our data are taken from three corpora of oral narratives
and one corpus of written media reports. We argue that the
auxiliary, in its full or cliticized form, serves as a marker of
saliency, highlighting a speaker’s subjectivity, and that it has
acquired discourse segmenting functions for some speakers. Both
increased subjectivity and widening of scope are consistent with
principles of semantic change.