bluuebunny/crossref_metadata_2025_split huggingface dataset:
Study of the electromagnetic wave propagation in realistic plasma
Authors: Ouyang Wenchong , Liu Yanming , Deng Weifeng , Zhang Zheng , Zhao Chengwei 
Published: October 2019

AbstractA self‐consistent calculation model combining flow field and electromagnetic wave propagation is presented. The hypersonic flow field around the RAMC‐II vehicle at different reentry heights is numerically solved using a computational fluid dynamics technique with a two‐dimensional model, and then perform self‐consistent calculations in conjunction with electromagnetic wave propagation models. The dependence of wave frequency, polarization mode, incident angle, and plasma collision frequency on the wave propagation is presented. Electromagnetic wave propagation characteristics have been investigated experimentally with shock tube, and the experimental results are consistent with the simulation results. Conclusions in this article can be the foundation to study the interactions between the electromagnetic wave and the realistic reentry plasma sheath.
Elevated Whole‐Blood Manganese Levels in Adult Patients Prescribed “Manganese‐Free” Home Parenteral Nutrition
Authors: Kirk Colette , Gemmell Lisa , Lamb Christopher A. , Thompson Nick P. , Mountford Christopher G. , Toole Barry J. 
Published: October 2019

AbstractBackgroundManganese toxicity can occur as a complication of home parenteral nutrition (HPN). Patients can present with Parkinson disease–like symptoms. Preparations of trace elements (TEs) in parenteral nutrition (PN) generally provide amounts in excess of requirements. Our previous review observed 60% of adult HPN patients had high whole‐blood manganese levels. Multi‐TE (MTE) solutions were subsequently removed from all HPN formulations in January 2015. The aim of this evaluation was to determine whole‐blood concentrations of manganese in adult patients receiving HPN to establish whether levels are now maintained within the normal reference range.MethodsA retrospective review of whole‐blood manganese levels in all patients receiving HPN between January 2018 and January 2019 from 1 hospital site was carried out.Results100 patients were included in the review (59 female and 41 male). Normal whole‐blood manganese levels (73–219 nmol/L) were observed in 70% of patients and elevated levels (>219 nmol/L) in 30% of patients. In the patients with elevated levels, 57% had not received manganese supplementation for at least 1 year prior to manganese being measured. Markers of cholestasis were similar between the 2 groups.ConclusionsIncidence of elevated whole‐blood manganese concentrations in patients receiving HPN decreased from 60% to 30% upon discontinued use of an MTE solution. Elevated levels remain a concern despite patients being prescribed “manganese‐free” PN. Patients receive this TE in amounts adequate to meet requirements through contamination and dietary intake alone, suggesting additional parenteral supplementation of manganese is not required.
A convected particle least square interpolation material point method
Authors: Tran Quoc Anh , Sołowski Wojciech , Berzins Martin , Guilkey James 
Published: October 2019

SummaryApplying the convected particle domain interpolation (CPDI) to the material point method has many advantages over the original material point method, including significantly improved accuracy. However, in the large deformation regime, the CPDI still may not retain the expected convergence rate. The paper proposes an enhanced CPDI formulation based on least square reconstruction technique. The convected particle least square interpolation (CPLS) material point method assumes the velocity field inside the material point domain as nonconstant. This velocity field in the material point domain is mapped to the background grid nodes with a moving least squares reconstruction. In this paper, we apply the improved moving least squares method to avoid the instability of the conventional moving least squares method due to a singular matrix. The proposed algorithm can improve convergence rate, as illustrated by numerical examples using the method of manufactured solutions.
Construction of Recycling Photocatalytic Gels for the Disinfection of Pathogens and Degradation of Organic Pollutants
Authors: Liu Jinpeng , Zhu Nali , Xu Haiming , Bai Jinwu , Shao Chaofeng , Ju Meiting , Yu Qilin , Liu Lu 
Published: October 2019

AbstractBismuth oxybromide (BiOBr) nanosheets are exciting photocatalysts for microbial disinfection and organic dye degradation. However, it remains a great challenge to easily recycle these nanomaterials and improve their photocatalytic ability. Herein, we constructed a novel photocatalytic BiOBr@PAG gel containing BiOBr nanosheets and polyacrylamide gel (PAG), based on peroxydisulfate‐induced polymerization reaction. The photocatalytic gel had equally distribution of BiOBr nanosheets on the surface, and could be easily recycled from water. More strikingly, the gel could also rapidly kill all tested pathogenic bacteria (i. e., Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus) under irradiation. Its disinfection activity is attributed to remarkable intracellular ROS production and oxidative cell damage. Furthermore, the gel had higher photocatalytic activity than BiOBr nanosheets alone during degradation of organic dyes. This study developed a novel strategy for preparation of easy‐recycling and high‐efficiency photocatalytic systems for practical application in environmental treatment and medicinal disinfection.
Triphenylamine dibenzofulvene–derived dopant‐free hole transporting layer induces micrometer‐sized perovskite grains for highly efficient near 20% for p‐i‐n perovskite solar cells
Authors: Chen Yung‐Chung , Li Yan‐Heng , Chung Chung‐Lin , Hsu Hsiang‐Lin , Chen Chih‐Ping 
Published: October 2019

AbstractThis paper discusses a series of triphenylamine dibenzofulvene–based hole transporting materials (HTMs) featuring different numbers of MeO groups (none for YC‐1, four for YC‐2, and six for YC‐3) and their use in p‐i‐n perovskite solar cells (PSCs). We investigated the optoelectronic properties of these HTMs and found that the PSC devices incorporating YC‐1 as HTMs exhibited power conversion efficiencies (PCEs) of 15.78 ± 0.61%, which outperformed the corresponding PEDOT:PSS‐based device (12.80 ± 1.31%) under similar testing conditions. We then employed YC‐1 for the interfacial modified layer of a NiOx‐derived PSC having the structure ITO/NiOx/YC‐1/CH3NH3PbI3/PC61BM/bathocuproine/Ag. The presence of YC‐1 promoted the growth of micrometer‐sized grains of perovskite and induced a lower content of grain boundary defects, both of which improved the carrier extraction. Thereby, compared with conventional NiOx device, we observed a great increase in the PCE, from 17.16 ± 0.68% to 18.81 ± 0.42%, with a champion cell displaying a PCE of 19.37% (with negligible hysteresis). The corresponded device exhibited a stabilized efficiency of approximately 19% after storage in the dark at 25°C under argon for over 1000 hours. This study suggests a new approach for designing the high‐performance stable p‐i‐n PSCs.
Effectiveness of Dextrose Prolotherapy for Rotator Cuff Tendinopathy: A Systematic Review
Authors: Catapano Michael , Zhang Kailia , Mittal Nimish , Sangha Harpreet , Onishi Kentaro , de SA Darren 
Published: October 2019

ObjectiveTo systematically review and evaluate the efficacy and complication profile of prolotherapy using hyperosmolar dextrose solution injection for rotator cuff tendinopathy.Literature SurveyMEDLINE, EMBASE, CINAHL, and the Cochrane Central Register of Controlled Trials (from inception to 1 July, 2019).MethodologyA comprehensive search was completed to identify randomized controlled trials addressing prolotherapy using hyperosmolar dextrose solution for rotator cuff tendinopathy. Two reviewers independently screened the titles, abstracts, and full texts, and then extracted data from eligible studies. All reported outcome measures and complications were analyzed descriptively.SynthesisFive studies satisfied inclusion criteria. Included studies analyzed a total of 272 participants with a final follow‐up ranging from 6 weeks to 12 months. Prolotherapy differed greatly among studies. Two studies used a multisite enthesis injection protocol while the other three used ultrasound‐guided protocols. Two of the studies used an intrasubstance supraspinatus injection and three used a supraspinatus enthesis injection. Control groups consisted of nonoperative rehabilitation including physical therapy and medical management in three studies, supraspinatus saline enthesis injection in one study, and corticosteroid injection in one study. There was statistically significant improvement in pain intensity with multisite injection protocols compared to physical therapy and medical management in both studies. Ultrasound‐guided supraspinatus injection trials did not find any statistically significant difference in pain intensity, range of motion, strength, function, or ultrasound characteristics compared to controls of enthesis saline injection or corticosteroid. The complication rate was low, with only 6/272 participants experiencing adverse events consisting of transient increase in pain for 1 to 2 days postintervention.ConclusionsProlotherapy with hyperosmolar dextrose solution is a potentially effective adjuvant intervention to physical therapy for patients with rotator cuff tendinopathy ranging from tendinosis to partial‐thickness and small full‐thickness tears. Further studies are necessary to determine effects in subpopulations as well as optimal technique including dextrose concentration, volume, and location.
IDDomainSpotter: Compositional bias reveals domains in long disordered protein regions—Insights from transcription factors
Authors: Millard Peter S. , Bugge Katrine , Marabini Riccardo , Boomsma Wouter , Burow Meike , Kragelund Birthe B. 
Published: October 2019

AbstractProtein domains constitute regions of distinct structural properties and molecular functions that are retained when removed from the rest of the protein. However, due to the lack of tertiary structure, the identification of domains has been largely neglected for long (>50 residues) intrinsically disordered regions. Here we present a sequence‐based approach to assess and visualize domain organization in long intrinsically disordered regions based on compositional sequence biases. An online tool to find putative intrinsically disordered domains (IDDomainSpotter) in any protein sequence or sequence alignment using any particular sequence trait is available at http://www.bio.ku.dk/sbinlab/IDDomainSpotter. Using this tool, we have identified a putative domain enriched in hydrophilic and disorder‐promoting residues (Pro, Ser, and Thr) and depleted in positive charges (Arg and Lys) bordering the folded DNA‐binding domains of several transcription factors (p53, GCR, NAC46, MYB28, and MYB29). This domain, from two different MYB transcription factors, was characterized biophysically to determine its properties. Our analyses show the domain to be extended, dynamic and highly disordered. It connects the DNA‐binding domain to other disordered domains and is present and conserved in several transcription factors from different families and domains of life. This example illustrates the potential of IDDomainSpotter to predict, from sequence alone, putative domains of functional interest in otherwise uncharacterized disordered proteins.
DISOselect: Disorder predictor selection at the protein level
Authors: Katuwawala Akila , Oldfield Christopher J. , Kurgan Lukasz 
Published: October 2019

AbstractThe intense interest in the intrinsically disordered proteins in the life science community, together with the remarkable advancements in predictive technologies, have given rise to the development of a large number of computational predictors of intrinsic disorder from protein sequence. While the growing number of predictors is a positive trend, we have observed a considerable difference in predictive quality among predictors for individual proteins. Furthermore, variable predictor performance is often inconsistent between predictors for different proteins, and the predictor that shows the best predictive performance depends on the unique properties of each protein sequence. We propose a computational approach, DISOselect, to estimate the predictive performance of 12 selected predictors for individual proteins based on their unique sequence‐derived properties. This estimation informs the users about the expected predictive quality for a selected disorder predictor and can be used to recommend methods that are likely to provide the best quality predictions. Our solution does not depend on the results of any disorder predictor; the estimations are made based solely on the protein sequence. Our solution significantly improves predictive performance, as judged with a test set of 1,000 proteins, when compared to other alternatives. We have empirically shown that by using the recommended methods the overall predictive performance for a given set of proteins can be improved by a statistically significant margin. DISOselect is freely available for non‐commercial users through the webserver at http://biomine.cs.vcu.edu/servers/DISOselect/.
A computational method for design of connected catalytic networks in proteins
Authors: Weitzner Brian D. , Kipnis Yakov , Daniel A. Gerard , Hilvert Donald , Baker David 
Published: October 2019

AbstractComputational design of new active sites has generally proceeded by geometrically defining interactions between the reaction transition state(s) and surrounding side‐chain functional groups which maximize transition‐state stabilization, and then searching for sites in protein scaffolds where the specified side‐chain–transition‐state interactions can be realized. A limitation of this approach is that the interactions between the side chains themselves are not constrained. An extensive connected hydrogen bond network involving the catalytic residues was observed in a designed retroaldolase following directed evolution. Such connected networks could increase catalytic activity by preorganizing active site residues in catalytically competent orientations, and enabling concerted interactions between side chains during catalysis, for example, proton shuffling. We developed a method for designing active sites in which the catalytic side chains, in addition to making interactions with the transition state, are also involved in extensive hydrogen bond networks. Because of the added constraint of hydrogen‐bond connectivity between the catalytic side chains, to find solutions, a wider range of interactions between these side chains and the transition state must be considered. Our new method starts from a ChemDraw‐like two‐dimensional representation of the transition state with hydrogen‐bond donors, acceptors, and covalent interaction sites indicated, and all placements of side‐chain functional groups that make the indicated interactions with the transition state, and are fully connected in a single hydrogen‐bond network are systematically enumerated. The RosettaMatch method can then be used to identify realizations of these fully‐connected active sites in protein scaffolds. The method generates many fully‐connected active site solutions for a set of model reactions that are promising starting points for the design of fully‐preorganized enzyme catalysts.
Mesoporous Materials–Based Electrochemical Biosensors from Enzymatic to Nonenzymatic
Authors: Yang Xuanyu , Qiu Pengpeng , Yang Jianping , Fan Yuchi , Wang Lianjun , Jiang Wan , Cheng Xiaowei , Deng Yonghui , Luo Wei 
Published: October 2019

AbstractMesoporous materials have drawn more and more attention in the field of biosensors due to their high surface areas, large pore volumes, tunable pore sizes, as well as abundant frameworks. In this review, the progress on mesoporous materials–based biosensors from enzymatic to nonenzymatic are highlighted. First, recent advances on the application of mesoporous materials as supports to stabilize enzymes in enzymatic biosensing technology are summarized. Special emphasis is placed on the effect of pore size, pore structure, and surface functional groups of the support on the immobilization efficiency of enzymes and the biosensing performance. Then, the development of a nonenzymatic strategy that uses the intrinsic property of mesoporous materials (carbon, silica, metals, and composites) to mimic the behavior of enzymes for electrochemical sensing of some biomolecules is discussed. Finally, the challenges and perspective on the future development of biosensors based on mesoporous materials are proposed.
Enhancing Automated Reaction Discovery with Boxed Molecular Dynamics in Energy Space
Authors: Jara‐Toro Rafael A. , Pino Gustavo A. , Glowacki David R. , Shannon Robin J. , Martínez‐Núñez Emilio 
Published: October 2019

AbstractThe rare event acceleration method “Boxed Molecular Dynamics in Energy space” (BXDE) is interfaced in the present work with the automated reaction discovery method AutoMeKin. To test the efficiency of the combined AutoMeKin‐BXDE procedure, the ozonolysis of α‐pinene is studied in comparison with standard AutoMeKin. AutoMeKin‐BXDE locates intermediates and transition states that are more densely connected with each other and approximately 50 kcal/mol more stable than those found with standard AutoMeKin. Other than the different density of edges between the nodes, both networks are scale‐free and display small‐world properties, mimicking the network of organic chemistry. Finally, while AutoMeKin‐BXDE finds more transition states than those previously reported for O3+α‐pinene, the standard procedure fails to locate some of the previously published reaction pathways using the same simulation time of 2.5 ns. In summary, the mixed procedure is very promising and clearly outperforms the standard simulation algorithms implemented in AutoMeKin. BXDE will be available in the next release of AutoMekin.
Gas exchange in streams and rivers
Authors: Hall Robert O. , Ulseth Amber J. 
Published: October 2019

AbstractGas exchange across the air–water boundary of streams and rivers is a globally large biogeochemical flux. Gas exchange depends on the solubility of the gas of interest, the gas concentrations of the air and water, and the gas exchange velocity (k), usually normalized to a Schmidt number of 600, referred to as k600. Gas exchange velocity is of intense research interest because it is problematic to estimate, is highly spatially variable, and has high prediction error. Theory dictates that molecular diffusivity and turbulence drives variation in k600 in flowing waters. We measure k600 via several methods from direct measures, gas tracer experiments, to modeling of diel changes in dissolved gas concentrations. Many estimates of k600 show that surface turbulence explains variation in k600 leading to predictive models based upon geomorphic and hydraulic variables. These variables include stream channel slope and stream flow velocity, the product of which, is proportional to the energy dissipation rate in streams and rivers. These empirical models provide understanding of the controls on k600, yet high residual variation in k600 show that these simple models are insufficient for predicting individual locations. The most appropriate method to estimate gas exchange depends on the scientific question along with the characteristics of the study sites. We provide a decision tree for selecting the best method to estimate k600 for individual river reaches to scaling to river networks.This article is categorized under:
Water and Life > Nature of Freshwater Ecosystems
Science of Water > Water Quality
Water and Life > Methods
Manufacturing Coherence: How American Textbooks Incorporate Diverse Perspectives on the Origins of the Cold War
Authors: Fischer Eva 
Published: October 2019

AbstractFischer uses three US textbooks, each published by one of the major American textbook publishers between 2007 and 2012, to examine how they present the origins of the Cold War. The chapter explores whether these textbooks incorporate revisionist and post-revisionist interpretations of the issue or if they prioritise traditionalist frameworks. Fischer identifies progressive echoes in these textbooks which question ‘master narratives’ and ambivalence over the roles of the USA and the USSR in the Cold War in order to understand how these are perceived today. The chapter explores how different publishers do this through not only the language they employ, but also through the physical layout of each page, which emphasises and relegates different elements.
The Emergence of a Multipolar World: Decentring the Cold War in Chinese History Textbooks
Authors: Dyson Lisa 
Published: October 2019

AbstractLisa Dyson examines in her chapter how the authors of Chinese history textbooks integrate China’s changing stance and significant, if secondary, role in the Cold War into their narrative of the period. She examines the complex conditions under which Chinese textbooks are developed and the practical and political constraints authors face, coupled with the rapid development of the country in recent years with its growing global influence.
Images and Imaginings of the Cold War – with a Focus on the Swiss View
Authors: Furrer Markus 
Published: October 2019

AbstractIn this chapter, Furrer explores how history teaching can be affected by and can actually make use of the tendency to conceptualise the past via visual thinking, especially in regards to the Cold War, a period with which one particularly associates certain historical images. Furrer analyses Swiss textbooks aimed at students in secondary levels in order to understand how the authors of history textbooks currently use historical images and to what extent they are aware of the potency of the visual image in teaching, as well as its drawbacks. The Cold War, he argues, provides a unique challenge for the teacher, but images can be extremely useful to them, especially when they encourage their students to deconstruct these images.
Transcendental structure of multiloop massless correlators and anomalous dimensions
Authors: Baikov P.A. , Chetyrkin K.G. 
Published: October 2019

AbstractWe give a short account of recent advances in our understanding of theπ- dependent terms in massless (Euclidean) 2-point functions as well as in generic anomalous dimensions (ADs) andβ-functions. We extend the considerations of [1] by two more loops, that is for the case of 6- and 7-loop correlators and 7- and 8-loop renormalization group (RG) functions. Our predictions for the (π-dependent terms) of the 7-loop RG functions for the case of theO(n) 𝜙4theory are in full agreement with the recent results from [2]. All available 7- and 8-loop results for QCD and the scalarO(n)ϕ4theory obtained within the largeNfapproach to the quantum field theory (see, e.g. [3]) are also in full agreement with our results.