bluuebunny/crossref_metadata_2025_split huggingface dataset:
Switchable Out‐of‐Plane Polarization in 2D LiAlTe2
Authors: Liu Zhun , Sun Yuanhui , Singh David J. , Zhang Lijun 
Published: March 2019

AbstractCovalent‐polar semiconductors that show intrinsic 2D vertical polarization present new device opportunities. These materials differ from ordinary ferroelectrics in that they are able to maintain polarization normal to a surface even with an unscreened depolarization field. Identifying phases that exhibit intrinsic 2D vertical polarization is an ongoing challenge. Here the discovery of a new promising phase via computational material design, specifically 2D LiAlTe2, is reported. The design concept is developed from a physical understanding of 3D hyperferroelectric covalent polar semiconductors. A structure determination method combining a swarm intelligence algorithm and first‐principles calculations is used to identify energetically stable structures. In addition to the expected layered version of bulk LiAlTe2, β‐LiAlTe2, a novel 2D structure, γ‐LiAlTe2, is found. In this phase, the vertical dipole can be switched between 0.07 and −0.11 e Å. This switching is triggered by the movement of the Li atom between two local energy minima. The associated asymmetric double‐well energy profile can be continuously tuned by the applied electric field as well as strain. There is, therefore, a reversible transition between two polar states. This discovered off‐plane switchability provides an opportunity for a 2D γ‐LiAlTe2‐ based interfacial phase change memory device; for example, by growing γ‐LiAlTe2/GeTe heterostructures.
Radical Addition of Thiols to Oxa(aza)bicyclic Alkenes in Water
Authors: Yao Yongqi , Yang Wen , Wang Chaoyang , Gu Fenglong , Yang Weitao , Yang Dingqiao 
Published: March 2019

AbstractAn air‐promoted radical addition reaction of various thiols to oxa(aza)bicyclic alkenes is reported, leading to the corresponding exo adducts in good to excellent yields (up to 99%) in water without the use of any metal catalyst, photoredox catalyst or radical initiator reagent under mild conditions. The reaction has a wide scopeof oxa(aza)bicyclic alkenes and thiols, which provides an easy and clean way for the direct preparation of thioethers. A proposed mechanism of an exo free radical attacking the double bond of an oxa(aza)bicyclic alkene was investigated by DFT calculations of stepwise reaction pathways and control experiments.
Stable Potential Windows for Long‐Term Electrocatalysis by Manganese Oxides Under Acidic Conditions
Authors: Li Ailong , Ooka Hideshi , Bonnet Nadège , Hayashi Toru , Sun Yimeng , Jiang Qike , Li Can , Han Hongxian , Nakamura Ryuhei 
Published: March 2019

AbstractEfficient, earth‐abundant, and acid‐stable catalysts for the oxygen evolution reaction (OER) are missing pieces for the production of hydrogen via water electrolysis. Here, we report how the limitations on the stability of 3d‐metal materials can be overcome by the spectroscopic identification of stable potential windows in which the OER can be catalyzed efficiently while simultaneously suppressing deactivation pathways. We demonstrate the benefits of this approach using gamma manganese oxide (γ‐MnO2), which shows no signs of deactivation even after 8000 h of electrolysis at a pH of 2. This stability is vastly superior to existing acid‐stable 3d‐metal OER catalysts, but cannot be realized if there is a deviation as small as 50‐mV from the stable potential window. A stable voltage efficiency of over 70 % in a polymer–electrolyte membrane (PEM) electrolyzer further verifies the availability of this approach and showcases how materials previously perceived to be unstable may have potential application for water electrolysis in an acidic environment.
Zur Neuausgabe des Nationalen Anhangs DIN EN 1991‐1‐3/NA „Schneelasten“ in 2019‐04
Authors: Fingerloos Frank , Schwind Wolfgang 
Published: March 2019

AbstractMit der Neuausgabe des Nationalen Anhangs zu Eurocode 1, Teil 1‐3 „Schneelasten“ wurden Anwendungserfahrungen und Auslegungen sowie Vereinfachungen zu den Formbeiwerten gegenüber den bisherigen Schneelastnormen normativ berücksichtigt. Im vorliegenden Beitrag werden die Hintergründe und die wesentlichen Änderungen in der Neuausgabe des Nationalen Anhangs DIN EN 1991‐1‐3/NA:2019‐04 gegenüber der Ausgabe von 2010 ausführlich erläutert. Zu den neuen Regelungen gehören bspw. die Konkretisierung der Schneelasten auf großflächigen Flachdächern, die Regelung der Schneelasten auf flach geneigten Dächern im Bereich von aufgeständerten Solarthermie‐ und Photovoltaikanlagen und die Aufnahme eines informativen Anhangs „Eislasten“.
Effect of added sugars and amino acids on acrylamide formation in white pan bread
Authors: Shen Yanting , Chen Gengjun , Li Yonghui 
Published: March 2019

AbstractBackground and objectivesThe products of the Maillard reaction formed from reducing sugars and amino groups are attracting increasing interests as an important dietary antioxidant source. However, acrylamide is also formed during the process, which is a potential carcinogenic substance. The objective of this study was to investigate the effects of various types and amounts of added sugars and amino acids on the formation of acrylamide in white pan bread. Breads were prepared with five sugars (sucrose, glucose, fructose, maltose, and ribose) at three levels (0, 6, and 12 g/100 g flour) and seven amino acids (lysine, alanine, proline, glycine, arginine, threonine, and asparagine) at three levels (0, 0.1 g, and 0.3 g/100 g flour), and the acrylamide content was analyzed by GC‐MS for both the crust and the crumb.FindingsBread with 6 g/100 g flour fructose had the highest crust acrylamide content of 102.6 μg/kg as compared with other sugars, while the addition of ribose caused the lowest crust acrylamide content (41.0 μg/kg). The addition of asparagine into the bread formula dramatically increased the acrylamide content of crust as expected, while the addition of glycine and proline decreased crust acrylamide. Significant contents of acrylamide were also detected in bread crumbs.ConclusionsBoth the type and amount of added sugars and amino acids in bread formulas affect the amount of acrylamide produced in bread products.Significance and noveltyOur study provides a systematic understanding of the effects of added sugars and amino acids on acrylamide formation in wheat bread. This research will benefit industries in developing reduced acrylamide formulas for common bakery products.
Enhanced Conversion in the Direct Synthesis of Diethyl Carbonate from Ethanol and CO2 by Process Intensification
Authors: Arbeláez Oscar , Hernández Elena , González Lina-María , Bustamante Felipe , Villa Aída-Luz 
Published: March 2019

AbstractTo overcome the low equilibrium conversion in the direct synthesis of diethyl carbonate from ethanol and CO2 under moderate reaction conditions, the reaction was conducted in a membrane reactor packed with pelletized Cu‐Ni:3‐1 supported on activated carbon. A SiO2/γ‐Al2O3 commercial membrane and zeolite A membranes synthesized on commercial Al2O3 supports were evaluated in the membrane reactor. Although characterization of the membranes by X‐ray diffraction confirmed the presence of a zeolite A layer on the supports, gas permeation and permselectivity tests of ethanol and water evidenced some defects of the synthesized membranes. An increase in conversion with respect to a conventional packed‐bed reactor was observed in the membrane reactors prepared on Al2O3, but equilibrium conversion was not attained. However, with the commercial membrane, the ethanol conversion was higher than the equilibrium conversion.
Biomass Gasification Integrated with Chemical Looping System for Hydrogen and Power. Coproduction Process – Thermodynamic and Techno‐Economic Assessment
Authors: Jiang Peng , Berrouk Abdallah S. , Dara Satyadileep 
Published: March 2019

AbstractThree biomass gasification‐based hydrogen and power coproduction processes are modeled with Aspen Plus. Case 1 is the conventional biomass gasification coupled with a shift reactor, cases 2 and 3 involve integration of biomass gasification with iron‐based and calcium‐based chemical looping systems. The effects of important process parameters on the performance indicators such as hydrogen yield and efficiencies are evaluated by sensitivity analyses. These parameters include gasification temperature, molar ratios of steam to biomass in the gasifier, Fe2O3 to syngas in the fuel reactor, Fe/FeO to steam in the steam reactor, CaO to CO, and steam to CO in the carbonator. The energy and exergy balance distributions for the above three cases are comprehensively discussed and compared. Furthermore, techno‐economic assessments are performed to evaluate the three cases in terms of capital cost, operating cost, and leveled cost of energy.
Local partial least squares based on global PLS scores
Authors: Shen Guanghui , Lesnoff Matthieu , Baeten Vincent , Dardenne Pierre , Davrieux Fabrice , Ceballos Hernan , Belalcazar John , Dufour Dominique , Yang Zengling , Han Lujia , Fernández Pierna Juan Antonio 
Published: March 2019

AbstractA local‐based method for near‐infrared spectroscopy predictions, the local partial least squares regression on global PLS scores (LPLS‐S), is proposed in this work and compared with the usual local PLS (LPLS) regression approach. LPLS‐S is based on the idea of replacing the original spectra with a global PLS score matrix before using the usual LPLS. This is done with the aim of increasing the speed of the calculations, which can be an important parameter for online applications in particular, especially when implemented on large databases. In this study, the performance of the two local approaches was compared in terms of efficiency and speed. It could be concluded that the root‐mean‐square error of prediction of LPLS and LPLS‐S were 1.1962 and 1.1602, respectively, but the calculation speed for LPLS‐S was more than 20 times faster than for the LPLS algorithm.
Spatial variation in anuran richness, diversity, and abundance across montane wetland habitat in Volcanoes National Park, Rwanda
Authors: van der Hoek Yntze , Tuyisingize Deogratias , Eckardt Winnie , Garriga Nuria , Derhé Mia A. 
Published: March 2019

AbstractThe spatial distribution of species has long sparked interest among ecologists and biogeographers, increasingly so in studies of species responses to climate change. However, field studies on spatial patterns of distribution, useful to inform conservation actions at local scales, are still lacking for many regions, especially the tropics. We studied elevational trends and species‐area relationships among anurans in wetland habitats within Volcanoes National Park (VNP) in Rwanda, part of the biodiverse Albertine Rift region. In VNP, wetlands are key sites for anuran reproduction, and anurans are likely threatened by wetland desiccation which has occurred for the last few decades. Between 2012 and 2017, we sampled anuran communities in ten VNP wetlands located along an elevational gradient of c. 600 m (from 2,546 to 3,188 m a.s.l.) and found at least eight species, including at least two Albertine Rift Endemics. We show that species richness, diversity, and abundance likely decline with a decrease in wetland size and with an increase in elevation, though additional sampling (e.g., at night) might be needed to derive definite conclusions. Larger wetlands at lower elevations contained most species and individuals, which indicates the potential threat of wetland size reduction (through desiccation) for anuran conservation. However, we also found that wetlands differed in species composition and that some species (e.g., Sclerophrys kisoloensis) were likely restricted in distribution to only a few of the smaller wetlands—suggesting that the conservation of each individual wetland should be prioritized, regardless of size. We propose that all wetlands in VNP require additional conservation measures, which should be based on knowledge gathered through long‐term monitoring of anuran communities and research on drivers of wetland decline. Only such extended research will allow us to understand the response of anurans in VNP to threats such as climate change and wetland desiccation.
Electrochemical Bulk Synthesis of Ternary Nitride Perovskites: Co3InN and Ni3InN
Authors: Lehmann Tanja S. , Blaschkowski Björn , Niewa Rainer 
Published: March 2019

AbstractInvited for the cover of this issue is the group of Rainer Niewa from Universität Stuttgart, Germany. The cover image shows the formation and movement of nitride ions within a salt, initiated by an electric current.
Going off antiretroviral treatment in a closely monitored HIV “cure” trial: longitudinal assessments of acutely diagnosed trial participants and decliners
Authors: Henderson Gail E , Waltz Margaret , Meagher Karen , Cadigan R Jean , Jupimai Thidarat , Isaacson Sinéad , Ormsby Nuchanart Q , Colby Donn J , Kroon Eugène , Phanuphak Nittaya , Ananworanich Jintanat , Peay Holly L 
Published: March 2019

AbstractIntroductionThe South East Asia Research Collaboration in HIV (SEARCH) RV411 clinical trial in Thailand was a systematic investigation of analytic treatment interruption (ATI) in individuals diagnosed and treated since Fiebig stage I acute HIV infection. Here, we explore decision‐making processes and perceptions of trial participation in a phase I trial that raised important ethical considerations, to identify potential areas of improvement in this relatively new field of HIV research. Similar considerations apply to other HIV phase I trials, especially those involving ATI, making this trial a model to identify challenges and opportunities in promoting informed choice.MethodsUsing longitudinal semi‐structured interviews and a validated questionnaire, we examined how decisions to join or decline the trial were made, whether there was evidence of decisional conflict, and reactions to the trial outcomes. We also explored contrasting views and experiences in this small trial cohort. We report analyses of data from these questionnaires and interviews, conducted from February through December of 2016 with the 14 SEARCH cohort participants who either joined (n = 8) or declined (n = 6) participation in RV411.ResultsThe eight participants and six decliners had low overall decisional conflict, which remained low over time. Decision making was more difficult for decliners than participants, at least initially. While all interviewees described being satisfied with their decisions, our study identified important negative consequences for a few individuals, including seroconversion, negative experiences with optional procedures and disappointment due to rapid viral rebound.ConclusionsAlthough our results reflect the experiences of a small group invited to join this trial, our overall finding of low decisional conflict even while some individuals reported negative experiences provides lessons for clinical trial investigators. We developed points‐to‐consider in helping participants make informed choices, to support participants during the trial and to support decliners in their decisions.
Recovery of acid corn oil from the bioalcohol industry by molecular distillation
Authors: Miró Erdmann Silvia M , Magallanes Leisa M , Tarditto Lorena V , Prizzon Antonella , del Carmen Pramparo María , Gayol María F 
Published: March 2019

AbstractBACKGROUNDThe objective of this work was to reduce the acidity of acid corn oil for its subsequent use as edible oil. Also, its tocopherols composition was determined. This oil is obtained as a by‐product of corn alcohol production on an industrial scale and is currently used as a raw material in the biodiesel industry.RESULTSThe tocopherols and fatty acids composition of acid corn oil was determined by gas chromatography, and molecular distillation experiments were carried out at different temperatures between 110 °C and 190 °C with a volumetric flow rate of 0.5 to 2 mL min−1 and a pressure of 5 × 10−5 atm. It was possible to reduce its acidity from 9.44% (as oleic acid) to values less than 0.3% in the residue, with distillation temperatures higher than 180 °C; also, in the distillate, the tocopherols were recovered with concentrations up to 13 360 ppm.CONCLUSIONIt was possible to decrease the acidity and purify tocopherols from acid corn oil by molecular distillation, obtaining a residue with an acidity acceptable for human consumption and a distillate with a high tocopherols content. Therefore, using molecular distillation, added value was given to a by‐product of the bioalcohol industry. © 2019 Society of Chemical Industry
Multidisciplinary Inpatient Rehabilitation Following Heart and/or Lung Transplantation—Examining Cohort Characteristics and Clinical Outcomes
Authors: Shiner Christine T. , Woodbridge Genevieve , Skalicky David A. , Faux Steven G. 
Published: March 2019

BackgroundCardiopulmonary transplantation is becoming a more common treatment option for advanced heart and/or lung disease. Specialist rehabilitation programs may assist recovery and enhance functional independence following transplantation.ObjectiveTo quantify the outcomes of multidisciplinary inpatient rehabilitation following cardiopulmonary transplantation and describe cohort characteristics.DesignRetrospective cohort study.SettingSubacute inpatient rehabilitation facility, located on‐site at Australia's largest cardiopulmonary transplant center.ParticipantsHeart and/or lung transplant recipients (n = 116), admitted for multidisciplinary inpatient rehabilitation, between 2009 and 2016.InterventionsAll participants received multidisciplinary rehabilitation as part of their standard care.Main Outcome MeasurementsParticipants' functional independence was scored using the Functional Independence Measure (FIM) upon rehabilitation admission and discharge. Physical measures of mobility and balance were assessed at the same time points, including the 6‐minute walk test, 10 m walk, Timed Up and Go, and Berg Balance Scale. Process measures of interest included rehabilitation length of stay, interruptions to rehabilitation, and discharge destination.ResultsAverage length‐of‐stay in rehabilitation was 26.9 ± 21.2 days (mean ± SD). FIM scores improved from 79.8 ± 20.3 on admission to 101.8 ± 29.1 at discharge (P < .001) for the pooled cohort. Physical measures of mobility and balance also improved: 6‐minute walk test distances improved from 103.6 ± 80.1 to 183.2 ± 104.8 m (P < .001); Timed Up and Go results decreased from 26.4 ± 18.3 seconds to 16.5 ± 14.1 seconds (P < .001); and Berg Balance Scale scores increased from 26.8 ± 17.1 to 45.0 ± 9.4 (P < .001). Approximately one‐third (33.6%) of admissions were interrupted by an acute medical complication; however, this did not preclude completion of rehabilitation or achievement of functional gains. Ninety‐four percent of the cohort was discharged to a private residence following rehabilitation. No significant differences were observed between heart versus lung transplant recipients.ConclusionsFor debilitated patients following heart and/or lung transplantation, physical function, mobility, and independence significantly improved following multidisciplinary inpatient rehabilitation.Level of EvidenceIII
Conductive triethylene glycol monomethyl ether substituted polythiophenes with high stability in the doped state
Authors: Dissanayake Dushanthi S. , Gunathilake Samodha S. , Udamulle Gedara Chinthaka M. , Du Jia , Yoo Sang Ha , Lee Youngmin , Wang Qing , Gomez Enrique D. , Biewer Michael C. , Stefan Mihaela C. 
Published: March 2019

ABSTRACTSynthesis of two conducting polymers containing 3‐hexylthiophene and 3‐[2‐(2‐(2‐methoxyethoxy)ethoxy)ethoxy]thiophene is demonstrated. In thin‐film transistors, the high‐molecular‐weight polymer shows an average mobility of 4.2 × 10−4 cm2 V−1 s−1. Most importantly, the polymers have high conductivity upon doping with iodine and also have high stability in the doped state with high conductivities measured even after 1 month. Furthermore, the doping causes transparency to thin films of the polymer and the films are resistant to common organic solvents. All these properties indicate a great potential for the iodine‐doped polymer to be used as an alternative to commercially available poly(3,4‐ethylenedioxythiophene):poly(styrene sulfonate). © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 1079–1086
Transcriptome responses to the natural phytotoxin t‐chalcone in Arabidopsis thaliana L.
Authors: Díaz‐Tielas Carla , Graña Elisa , Sánchez‐Moreiras Adela M , Reigosa Manuel J , Vaughn Justin N , Pan Zhiqiang , Bajsa‐Hirschel Joanna , Duke Mary V , Duke Stephen O 
Published: March 2019

AbstractBACKGROUNDNew modes of action are needed for herbicides. The flavonoid synthesis intermediate t‐chalcone causes apoptosis‐like symptoms in roots and bleaching of shoots of Arabidospsis, suggesting a unique mode of action as a phytotoxin.RESULTSUsing RNA‐Seq, transcriptome changes were monitored in Arabidopsis seedlings during the first 24 h of exposure (at 1, 3, 6, 12 and 24 h) to 21 μm t‐chalcone (I50 dose), examining effects on roots and shoots separately. Expression of 892 and 1000 genes was affected in roots and shoots, respectively. According to biological classification, many of the affected genes were transcription factors and genes associated with oxidative stress, heat shock proteins, xenobiotic detoxification, ABA and auxin biosynthesis, and primary metabolic processess. These are secondary effects found with most phytotoxins. Potent phytotoxins usually act by inhibiting enzymes of primary metabolism. KEGG pathway analysis of transcriptome results from the first 3 h of t‐chalcone exposure indicated several potential primary metabolism target sites for t‐chalcone. Of these, p‐hydroxyphenylpyruvate dioxygenase (HPPD) and tyrosine amino transferase were consistent with the bleaching effect of the phytotoxin. Supplementation studies with Lemna paucicostata and Arabidiopsis supported HPPD as the target, although in vitro enzyme inhibition was not found.CONCLUSIONSt‐Chalcone is possibly a protoxin that is converted to a HPPD inhibitor in vivo. © 2019 Society of Chemical Industry
Guarana supplementation attenuated obesity, insulin resistance, and adipokines dysregulation induced by a standardized human Western diet via brown adipose tissue activation
Authors: Bortolin Rafael Calixto , Vargas Amanda Rodrigues , de Miranda Ramos Vitor , Gasparotto Juciano , Chaves Paloma Rodrigues , Schnorr Carlos Eduardo , da Boit Martinello Katia , Silveira Alexandre Kleber , Gomes Henrique Mautone , Rabelo Thallita Kelly , Grunwald Marcelo Sartori , Ligabue‐Braun Rodrigo , Gelain Daniel Pens , Moreira José Cláudio Fonseca 
Published: March 2019

Obesity is a metabolic disorder associated with adverse health consequences that has increased worldwide at an epidemic rate. This has encouraged many people to utilize nonprescription herbal supplements for weight loss without knowledge of their safety or efficacy. However, mounting evidence has shown that some herbal supplements used for weight loss are associated with adverse effects. Guarana seed powder is a popular nonprescription dietary herb supplement marketed for weight loss, but no study has demonstrated its efficacy or safety when administered alone. Wistar rats were fed four different diets (low‐fat diet and Western diet with or without guarana supplementation) for 18 weeks. Metabolic parameters, gut microbiota changes, and toxicity were then characterized. Guarana seed powder supplementation prevented weight gain, insulin resistance, and adipokine dysregulation induced by Western diet compared with the control diet. Guarana induced brown adipose tissue expansion, mitochondrial biogenesis, uncoupling protein‐1 overexpression, AMPK activation, and minor changes in gut microbiota. Molecular docking suggested a direct activation of AMPK by four guarana compounds tested here. We propose that brown adipose tissue activation is one of the action mechanisms involved in guarana supplementation‐induced weight loss and that direct AMPK activation may underlie this mechanism. In summary, guarana is an attractive potential therapeutic agent to treat obesity.