bluuebunny/crossref_metadata_2025_split huggingface dataset:
Origin of High Interfacial Resistances in Solid‐State Batteries: Interdiffusion and Amorphous Film Formation in Li0.33La0.57TiO3/LiMn2O4 Half Cells
Authors: Xu Pengyu , Rheinheimer Wolfgang , Shuvo Shoumya Nandy , Qi Zhimin , Levit Or , Wang Haiyan , Ein‐Eli Yair , Stanciu Lia A. 
Published: August 2019

AbstractThe large interfacial resistance between electrolyte and electrodes poses a significant roadblock for the application of all‐solid‐state batteries. The formation of interfacial phases (interphases) has been identified as one of the most significant sources for such high resistance. Therefore, studying the mechanism of interphase formation, along with investigating its effect on ionic conductivity, could lead to the discovery of avenues towards designing high‐performance all‐solid‐state batteries. In this work, we studied the interphase formation in the perovskite electrolyte Li0.33La0.57TiO3 (LLTO) and spinel cathode LiMn2O4 (LMO) pair by co‐sintering experiments via spark plasma sintering (SPS), as well as conventional sintering. Although the processing method has an influence on the electrode/electrolyte contact, the formation of an interphase could not be avoided. At the LLTO/ LMO interface, we observed both an interphase formed by interdiffusion, as well as a complexion‐like amorphous layer. We directly characterized the complexion layer morphology by using HRTEM. Analytical TEM and SEM were used to reveal the elemental composition of the interphase and the interdiffusion layer. Furthermore, we used impedance spectroscopy to measure the electrical properties of the LLTO/LMO interphase and identified the interfacial resistance from the interdiffusion induced interphase to be larger than the individual phases by a factor of 40, whereas the amorphous layer was not visible in the impedance.
Acene‐Modified Small‐Molecule Donors for Organic Photovoltaics
Authors: Sung Min Jae , Hong Jisu , Cha Hyojung , Jiang Yifei , Park Chan Eon , Durrant James R. , An Tae Kyu , Kwon Soon‐Ki , Kim Yun‐Hi 
Published: August 2019

AbstractInvited for the cover of this issue is the group of Tae Kyu An at the Korea National University of Transportation, Soon‐Ki Kwon and Yun‐Hi Kim at the Gyeongsang National University. The image depicts organic photovoltaics, in which fused acene cores have been used to modulate the conjugation lengths and the bulk heterojunction morphologies. Read the full text of the article at 10.1002/chem.201902177.
Spirobifluorene Metallaaromatics
Authors: Arias‐Coronado Vanessa C. , Pereira‐Cameselle Raquel , Ozcelik Ani , Talavera Maria , Peña‐Gallego Ángeles , Alonso‐Gómez J. Lorenzo , Bolaño Sandra 
Published: August 2019

AbstractSpirobifluorene derivatives find use in many end‐user applications. Therefore, further expansion of their scope is the focus of many research studies. However, although the optical properties of spirobifluorenes can be greatly tuned through incorporation of metal complexes, to date, spirobifluorene metallaaromatics remain unknown. Taking advantage of the versatility of our methodology for the synthesis of metallaaromatic systems, this work reports the first metallaaromatic spirobifluorene compound. The presence of an Ir atom was found to redshift the absorption maximum by ca. 1.1 eV compared to bare spirobifluorene. Additionally, X‐ray analysis as well as anisotropy of the current‐induced density calculations revealed this compound to be of aromatic nature. The high stability in solution, solid state, under air, and at high temperature, as well as distinct optical properties of this new class of compounds are expected to open new frontiers for chiroptical and optoelectronic applications.
A Versatile Boc Solid Phase Synthesis of Daptomycin and Analogues Using Site Specific, On‐Resin Ozonolysis to Install the Kynurenine Residue
Authors: Xu Buzhe , Hermant Yann , Yang Sung‐Hyun , Harris Paul W. R. , Brimble Margaret A. 
Published: August 2019

AbstractA de novo solid‐phase synthesis of the cyclic lipodepsipeptide daptomycin via Boc chemistry was achieved. The challenging ester bond formation between the nonproteinogenic amino acid kynurenine was achieved by esterification of a threonine residue with a protected tryptophan. Subsequent late‐stage on‐resin ozonolysis, inspired by the biomimetic pathway, afforded the kynurenine residue directly. Synthetic daptomycin possessed potent antimicrobial activity (MIC100=1.0 μg mL−1) against S. aureus, while five other daptomycin analogues containing (2R,3R)‐3‐methylglutamic acid, (2S,4S)‐4‐methylglutamic acid or canonical glutamic acid at position twelve prepared using this new methodology were all inactive, clearly establishing that the (2S,3R)‐3‐methylglutamic acid plays a key role in the antimicrobial activity of daptomycin.
Ab Initio Cyclic Voltammetry on Cu(111), Cu(100) and Cu(110) in Acidic, Neutral and Alkaline Solutions
Authors: Bagger Alexander , Arán‐Ais Rosa M. , Halldin Stenlid Joakim , Campos dos Santos Egon , Arnarson Logi , Degn Jensen Kim , Escudero‐Escribano María , Roldan Cuenya Beatriz , Rossmeisl Jan 
Published: August 2019

AbstractElectrochemical reactions depend on the electrochemical interface between the electrode surfaces and the electrolytes. To control and advance electrochemical reactions there is a need to develop realistic simulation models of the electrochemical interface to understand the interface from an atomistic point‐of‐view. Here we present a method for obtaining thermodynamic realistic interface structures, a procedure we use to derive specific coverages and to obtain ab initio simulated cyclic voltammograms. As a case study, the method and procedure is applied in a matrix study of three Cu facets in three different electrolytes. The results have been validated by direct comparison to experimental cyclic voltammograms. The alkaline (NaOH) cyclic voltammograms are described by H* and OH*, while in neutral medium (KHCO3) the CO
species are dominating and in acidic (KCl) the Cl* species prevail. An almost one‐to‐one mapping is observed from simulation to experiments giving an atomistic understanding of the interface structure of the Cu facets. Atomistic understanding of the interface at relevant eletrolyte conditions will further allow realistic modelling of electrochemical reactions of importance for future eletrocatalytic studies.
Mixed‐Surfactant‐Assisted Synthesis of Dual‐Phase Li4Ti5O12‐TiO2 Hierarchical Microspheres as High‐Performance Anode Materials for Li‐Ion Batteries
Authors: Li Da , Zhao Wei , Cao Lei , Gao Yiying , Liu Yahui , Wang Weijing , Qi Tao 
Published: August 2019

AbstractA mixed‐surfactant‐assisted method was developed to synthesize dual‐phase Li4Ti5O12‐TiO2 hierarchical microspheres. The ratio of anionic/cationic surfactant could regulate the primary structure morphology and the dual‐phase ratio of the final product, in which the primary structure morphology could be stacked nanosheets, small nanoparticles, or large nanoparticles. The sample with a primary structure morphology of small nanoparticles had the highest specific surface area of 79.38 m2 g−1 and the best electrochemical performance because of its high Li+ migration rate, low polarization, and appropriate TiO2 content. Its capacity reached 153.5 mA h g−1 at a current rate of 40 C, and it retained nearly 100 % of its capacity after 100 cycles. A self‐assembly mechanism of the mixed surfactant was highlighted to explain the formation of hierarchical microspheres. The physical and electrochemical properties of obtained material were correlated effectively.
Improving aftercare with technology for anorexia nervosa after intensive inpatient treatment: A pilot randomized controlled trial with a therapist‐guided smartphone app
Authors: Neumayr Christina , Voderholzer Ulrich , Tregarthen Jenna , Schlegl Sandra 
Published: August 2019

AbstractObjectiveTo evaluate the feasibility, acceptability, and preliminary efficacy of an innovative therapist‐guided smartphone‐based aftercare intervention following inpatient treatment of patients with severe anorexia nervosa (AN).MethodForty female patients with AN (ICD‐10: F50.0/F50.1) (aged: 15–36 years) were randomized either to an 8‐week smartphone‐based aftercare intervention (German version of “Recovery Record”) with therapist feedback as an adjunct to treatment as usual (intervention group [IG]) or to treatment as usual alone (control group [CG]). Body mass index (BMI) and eating disorder (ED) symptoms were assessed at discharge (baseline), postintervention (after 8 weeks), and at 6‐month follow‐up. Additionally, patients' satisfaction, adherence to the smartphone‐based intervention, and postdischarge health care utilization were evaluated.ResultsPatients showed a high level of adherence and reported a very high acceptance of the app and the aftercare intervention. We found at postintervention nonsignificant small to moderate between‐group effect sizes favoring the IG regarding BMI (d = −0.24; 95% confidence interval [CI] [−0.90, 0.41]) and ED symptoms (Eating Disorder Examination‐Questionnaire global: d = 0.56; 95% CI [−0.10, 1.22]). At 6‐month follow‐up, effects wore off and no significant differences between the IG and CG were evident.DiscussionThis was the first study to evaluate a therapist‐guided smartphone‐based aftercare intervention for discharged inpatients with AN. Results suggest that such an intervention is highly accepted by patients and that it could support symptom stabilization or continued improvement as an add‐on therapy to treatment as usual. A larger scale randomized controlled trial is now planned to further evaluate the efficacy of this aftercare intervention for patients with AN.
Chinese media coverage of eating disorders: Disorder representations and patient profiles
Authors: Sun Shaojing , He Jinbo , Fan Xitao , Chen Yibei , Lu Xueke 
Published: August 2019

AbstractObjectiveEating disorders (EDs) are becoming more prevalent in China; however, no studies have been conducted to explore how Chinese media represented EDs, and how media representation of ED impacted public understanding of EDs. The aim of this study was to analyze articles about EDs in Chinese newspapers, and to identify any potential inaccuracies about EDs as represented in the media.MethodContent analysis was employed to analyze a total number of 292 news articles over the span of two decades (1998–2019). Intercoder reliability was satisfactory for all the coded categories. The analysis was conducted on two different dimensions: for individual news article and for individual patient profile.ResultsThe bulk of news reporting on EDs was about anorexia nervosa and bulimia nervosa. A majority of individual patient profiles focused on young women. Anorexia nervosa was mentioned and discussed more frequently than bulimia nervosa. Chinese newspapers generally presented correct information concerning anorexia nervosa and bulimia nervosa, but conveyed shallow information about the etiology and treatment. There were also misconceptions of EDs as reported in Chinese media.DiscussionEDs have not received sufficient attention in Chinese media, as shown by the media coverage on EDs over the last two decades. Considering the increasing prevalence of EDs in China with its large population base, effective communication strategies are needed to call public attention to this health issue, and to galvanize the medical community and the society to devote more resources to improve the prevention and treatment of EDs in China.
Geographic variation of reproductive traits and competition for pollinators in a bird‐pollinated plant
Authors: Theron Genevieve L. , de Waal Caroli , Barrett Spencer C. H. , Anderson Bruce 
Published: August 2019

AbstractGeographic variation in the reproductive traits of animal‐pollinated plants can be shaped by spatially variable selection imposed by differences in the local pollination environment. We investigated this process inBabiana ringens(Iridaceae), an enigmatic species from the Western Cape region of South Africa.B. ringenshas evolved a specialized perch facilitating cross‐pollination by sunbirds and displays striking geographic variation in perch size and floral traits. Here, we investigate whether this variation can be explained by geographic differences in the pollinator communities. We measured floral and inflorescence traits, and abiotic variables (N, P, C, and rainfall) and made observations of sunbirds in populations spanning the range ofB. ringens. In each population, we recorded sunbird species identity and measured visitation rates, interfloral pollen transfer, and whether the seed set of flowers was pollen limited. To evaluate whether competition from co‐occurring sunbird‐pollinated species might reduce visitation, we quantified nectar rewards inB. ringensand of other co‐flowering bird‐pollinated species in local communities in which populations occurred. Variation in abiotic variables was not associated with geographical variation of traits inB. ringens. Malachite sunbirds were the dominant visitor (97% of visits) and populations with larger‐sized traits exhibited higher visitation rates, more between‐flower pollen transfer and set more seed. No sunbirds were observed in four populations, all with smaller‐sized traits. Sunbird visitation toB. ringenswas not associated with local sunbird activity in communities, but sunbird visitation was negatively associated with the amount ofB. ringenssugar relative to the availability of alternative nectar sources. Our study provides evidence thatB. ringenspopulations with larger floral traits are visited more frequently by sunbirds, and we propose that visitation rates toB. ringensmay be influenced, in part, by competition with other sunbird‐pollinated species.
Bird species diversity in Altai riparian landscapes: Wood cover plays a key role for avian abundance
Authors: Li Na , Sun Yuehua , Chu Hongjun , Qi Yingjie , Zhu Lan , Ping Xiaoge , Li Chunwang , Jiang Zhigang 
Published: August 2019

AbstractAimsWe aim to understand bird richness and variation in species composition (beta diversity) along a 630 km riparian landscape in the Altai Mountains of China and to test whether vegetation cover is the main explanation of species diversity.MethodsWe selected nine regions along a gradient of natural vegetation change. Bird surveys and environmental measurements were conducted at 10 points in each of the nine regions. We collected environmental land cover variables such as wood cover (area proportion of trees and shrubs with saplings in habitats; here trees are woody plant with a single trunk and higher than 3 m, shrubs and saplings are distinguished from trees by their multiple trunks and shorter height) and tree cover, and two climate factors which were Annual Mean Temperature (AMT) and Annual Precipitation (AP). We used Liner Regression Models to explore the correlation between bird species richness and environmental variables. We used Sørensen's dissimilarity index to measure birds' beta diversity, and quantified the contribution of environmental variables to this pattern using a Canonical Correspondence Analysis (CCA).ResultsWood cover was the strongest predictor of overall, insectivore, and omnivore bird richness. Regions with wood cover contained more bird species. Beta diversity was overall high in the studied regions, and turnover components occupied a major part of beta diversity. Wood cover and AP were significant predictors of bird species composition explaining 33.24% of bird beta diversity together.ConclusionsWood vegetation including trees, shrubs, and saplings, rather than only trees, contains high bird richness. High beta diversity suggests that expansion of the existing nature reserves is needed in the riparian landscapes to capture the variation in bird species composition. Thus all wood cover in the overall riparian landscapes of Altai Mountains should be protected from farming and grazing to improve bird conservation outcomes.OPEN RESEARCH BADGES

This article has earned an Open Data Badge for making publicly available the digitally‐shareable data necessary to reproduce the reported results. The data is available at Raw bird data in this study: osf.io/78qcw; Raw environment data: osf.io/qr5cw.
Functional divergence of the bitter receptor TAS2R38 in Sulawesi macaques
Authors: Widayati Kanthi Arum , Yan Xiaochan , Suzuki‐Hashido Nami , Itoigawa Akihiro , Purba Laurentia Henrieta Permita Sari , Fahri Fahri , Terai Yohey , Suryobroto Bambang , Imai Hiroo 
Published: August 2019

AbstractBitter perception is mediated by G protein‐coupled receptors TAS2Rs and plays an important role in avoiding the ingestion of toxins by inducing innate avoidance behavior in mammals. One of the best‐studied TAS2Rs is TAS2R38, which mediates the perception of the bitterness of synthetic phenylthiocarbamide (PTC). Previous studies of TAS2R38 have suggested that geographical separation enabled the independent divergence of bitter taste perception. The functional divergence of TAS2R38 in allopatric species has not been evaluated. We characterized the function of TAS2R38 in four allopatric species of Sulawesi macaques on Sulawesi Island. We found variation in PTC taste perception both within and across species. In most cases, TAS2R38 was sensitive to PTC, with functional divergence among species. We observed different truncated TAS2R38s that were not responsive to PTC in each species of Macaca nigra and M. nigrescens due to premature stop codons. Some variants of intact TAS2R38 with an amino acid substitution showed low sensitivity to PTC in M. tonkeana. Similarly, this intact TAS2R38 with PTC‐low sensitivity has also been found in humans. We detected a shared haplotype in all four Sulawesi macaques, which may be the ancestral haplotype of Sulawesi macaques. In addition to shared haplotypes among Sulawesi macaques, other TAS2R38 haplotypes were species‐specific. These results implied that the variation in TAS2R38 might be shaped by geographical patterns and local adaptation.OPEN RESEARCH BADGES

This article has earned an Open Data Badge for making publicly available the digitally‐shareable data necessary to reproduce the reported results. The data is available at https://doi.org/10.5061/dryad.908jf3r.
Reproductive isolation due to prezygotic isolation and postzygotic cytoplasmic incompatibility in parasitoid wasps
Authors: König Kerstin , Zundel Petra , Krimmer Elena , König Christian , Pollmann Marie , Gottlieb Yuval , Steidle Johannes L. M. 
Published: August 2019

AbstractThe reproductive barriers that prevent gene flow between closely related species are a major topic in evolutionary research. Insect clades with parasitoid lifestyle are among the most species‐rich insects and new species are constantly described, indicating that speciation occurs frequently in this group. However, there are only very few studies on speciation in parasitoids. We studied reproductive barriers in two lineages of Lariophagus distinguendus (Chalcidoidea: Hymenoptera), a parasitoid wasp of pest beetle larvae that occur in human environments. One of the two lineages occurs in households preferably attacking larvae of the drugstore beetle Stegobium paniceum (“DB‐lineage”), the other in grain stores with larvae of the granary weevil Sitophilus granarius as main host (“GW‐lineage”). Between two populations of the DB‐lineage, we identified slight sexual isolation as intraspecific barrier. Between populations from both lineages, we found almost complete sexual isolation caused by female mate choice, and postzygotic isolation, which is partially caused by cytoplasmic incompatibility induced by so far undescribed endosymbionts which are not Wolbachia or Cardinium. Because separation between the two lineages is almost complete, they should be considered as separate species according to the biological species concept. This demonstrates that cryptic species within parasitoid Hymenoptera also occur in Central Europe in close contact to humans.
Influence of salt and acetonitrile on the capillary zone electrophoresis analysis of imatinib in plasma samples
Authors: Ahmed Omar S. , Malý Michal , Ladner Yoann , Philibert Laurent , Dubský Pavel , Perrin Catherine 
Published: August 2019

AbstractA simple, sensitive, specific, and cost‐effective analytical methodology was developed for the analysis of human plasma samples spiked with imatinib by CZE with on‐line UV detection in the context of Therapeutic Drug Monitoring. Several analytical conditions such as the ionic strength (I) and the pH of the BGE composed of citric acid and ε‐amino caproic acid were studied in regards of the presence of sodium chloride (NaCl) in plasma samples (1% m/v). Computer simulations (Simul software) were used to confirm the experimental results and to understand imatinib electrophoretic behavior in the presence of NaCl. Furthermore, the advantages of adding ACN to the sample containing NaCl to combine efficient protein precipitation and on‐line CZE stacking of imatinib were demonstrated. LOD and LOQ values of 48 and 191 ng/mL were obtained from plasma sample supernatant after protein precipitation with ACN, which is much lower than mean imatinib plasma level observed for patients treated by imatinib mesylate (about 1000 ng/mL). Good linearity was obtained in the concentration range 191–5000 ng/mL (R2 > 0.997). RSD of less than 1.68% and 2.60% (n = 6) for migration times and corrected peak areas, respectively, were observed at the LOQ.
An immersed discontinuous Galerkin method for compressible Navier‐Stokes equations on unstructured meshes
Authors: Xiao Hong , Febrianto Eky , Zhang Qiaoling , Cirak Fehmi 
Published: August 2019

SummaryWe introduce an immersed high‐order discontinuous Galerkin method for solving the compressible Navier‐Stokes equations on non–boundary‐fitted meshes. The flow equations are discretised with a mixed discontinuous Galerkin formulation and are advanced in time with an explicit time marching scheme. The discretisation meshes may contain simplicial (triangular or tetrahedral) elements of different sizes and need not be structured. On the discretisation mesh, the fluid domain boundary is represented with an implicit signed distance function. The cut‐elements partially covered by the solid domain are integrated after tessellation with the marching triangle or tetrahedra algorithms. Two alternative techniques are introduced to overcome the excessive stable time step restrictions imposed by cut‐elements. In the first approach, the cut‐basis functions are replaced with the extrapolated basis functions from the nearest largest element. In the second approach, the cut‐basis functions are simply scaled proportionally to the fraction of the cut‐element covered by the solid. To achieve high‐order accuracy, additional nodes are introduced on the element faces abutting the solid boundary. Subsequently, the faces are curved by projecting the introduced nodes to the boundary. The proposed approach is verified and validated with several two‐ and three‐dimensional subsonic and hypersonic low Reynolds number flow applications, including the flow over a cylinder, a space capsule, and an aerospace vehicle.