bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and Application of a Conjugated Polydianion‐Based Single‐Ion Conducting Polymer for High‐Performance Solid Lithium‐Ion Batteries
Authors: Li Dan , Zeng Zhixiang , Lu Di , Nie Feng , Wen Lele , Zhu Lijing 
Published: May 2019

AbstractFluorosulfonimide lithium salts have been widely used as conductors in solid polymer electrolytes for solid Li‐ion batteries (LIBs). However, low conductivity and poor compatibility with the polymer host (usually polyethylene oxide, PEO) remain challenges in the design of these salts. In this paper, we synthesized a highly Li+‐conductive salt containing the poly(perfluoroalkylsulfonyl)diimide (PFSDI−) dianion for the first time. LiPFSDI represents the first example of a single Li‐ion‐conducting polymer (SLICP) with a conjugated sulfonimide moiety (−SO2−N(−)−SO2−N(−)−SO2−). The PEO−LiPFSDI blend electrolyte exhibits significant enhancements in ionic conductivity (2.24×10−4 S cm−1 at 80 °C)and electrochemical stability (up to 6 V vs. Li+/Li). A prototype LiFePO4/Li battery with the PEO−LiPFSDI composite electrolyte shows excellent cycling performance with a high reversible capacity of 148 mAh g−1 at a rate of 0.1 C and 135 mAh g−1 at 0.2 C (70 °C), and maintains 100 stable cycles for over 1500 hours.
Two Types of σ‐Allenyl Complexes from Reactions of Silylenes and Germylenes with Chromium Fischer Alkynyl(alkoxy)carbenes
Authors: Cabeza Javier A. , García‐Álvarez Pablo , Gómez‐Gallego Mar , González‐Álvarez Laura , Merinero Alba D. , Sierra Miguel A. 
Published: May 2019

AbstractThe reactivity of amidinatotetrylenes of the type E(tBu2bzm)R1 (E=Si, Ge; tBu2bzm=N,N′‐bis(tertbutyl)benzamidinate; R1=alkyl or aryl) with the chromium Fischer alkynylcarbene complexes [Cr{C(OEt)C2R2}(CO)5] (R2=Ph; ferrocenyl, Fc) has been studied. At room temperature, two different reaction pathways have been identified: (a) attack of the amidinatotetrylene to the alkynyl C2 atom (γ‐attack), which leads to σ‐allenyl complexes in which the original Ccarbene atom maintains its attachment to the Cr(CO)5 and OEt groups (compounds 3
), and (b) attack of the amidinatotetrylene to the Ccarbene atom (α‐attack), which ends in σ‐allenyl complexes in which the original Ccarbene atom is not attached to the metal atom and has been inserted into an E−N bond of the amidinatotetrylene forming an E‐C‐N‐C‐N five‐membered ring (compounds 4
). It has been found that compounds 3
are thermodynamically less stable than their corresponding 4
isomers and that some of the former (E=Ge; R1=CH2SiMe3) can be transformed into the latter upon heating. At high temperatures (>70 °C) the reactions involving bulky amidinatotetrylenes (R1=Mes, tBu) end in the carbene‐substitution products [Cr{E(tBu2bzm)R1}(CO)5].
Enantioselective Conjugate Addition‐Protonation of 5H‐Oxazol‐4‐ones and 5‐Methylene 1,3‐Oxazolidine‐2,4‐diones: 2,2'‐Biphenol‐Induced Diastereoselectivity Switch
Authors: Lu Bohua , Xin Shuang , Zhu Bo , Chang Junbiao 
Published: May 2019

Summary of main observation and conclusionA synthetic strategy for catalytic asymmetric conjugate addition‐protonation and diastereoselective switch between 5H‐oxazol‐4‐ones and 5‐methylene 1,3‐oxazolidine‐2,4‐diones was established. An array of chiral conjugate addition‐protonation products bearing 1,3‐O‐heterotertiary‐O‐heteroquarternary nonadjacent stereocenters were obtained in excellent yields, moderate to good diastereoselectivities, and excellent enantioselectivities (up to 97% yield, 11: 1 dr, and 98% ee). Induction by 2,2’‐biphenol could effectively promote the production of the corresponding diastereoisomersviacycloaddition intermedia.
Population Pharmacokinetic Modeling and Probability of Target Attainment Analyses in Asian Patients With Community‐Acquired Pneumonia Treated With Ceftaroline Fosamil
Authors: Li Jianguo , Das Shampa , Zhou Diansong , Al‐Huniti Nidal 
Published: May 2019

AbstractEfficacy of ceftaroline fosamil, the prodrug of the active metabolite ceftaroline, was demonstrated in a phase 3 study of hospitalized Asian patients with Pneumonia Outcomes Research Team (PORT) risk class III–IV community‐acquired pneumonia (NCT01371838). The objectives of the current analysis were to expand an existing ceftaroline and ceftaroline fosamil population pharmacokinetic (PK) model with data from this phase 3 study and a phase 1 study (NCT01458743) assessing ceftaroline PK in healthy Chinese volunteers and to evaluate the probability of PK/pharmacodynamic (PK/PD) target attainment (PTA) in Asian patients with community‐acquired pneumonia (CAP) treated with ceftaroline fosamil. The ceftaroline plasma concentration‐time course was simulated for 5000 Asian patients with CAP for different renal function subgroups using the final model. PTA was calculated forStreptococcus pneumoniae,Staphylococcus aureus, and non‐extended‐spectrum β‐lactamase‐producingEnterobacteriaceae. PTA was also evaluated for ceftaroline MIC90values of isolates collected from Asia‐Pacific surveillance studies (2012–2014) and for EUCAST and FDA/CLSI ceftaroline susceptibility break points. The final model reasonably described the ceftaroline PK. Race was not found to be a significant covariate impacting ceftaroline PK, suggesting similar ceftaroline PK in Asian and Western populations when corrected for body weight. High PTAs (90%–100%) were predicted for Asian patients with CAP treated with ceftaroline fosamil, covering MIC90values of target CAP pathogens from the region. Similarly, >90% PTAs were predicted at EUCAST and FDA/CLSI clinical break points for these pathogens. These results support the use of the ceftaroline fosamil dosing regimens approved in Europe and the United States in Asian patients with PORT III–IV CAP.
Solvent‐Enhanced Conformational Flexibility of Cyclic Tetrapeptides
Authors: Berger Nadja , Wollny Laura J. B. , Sokkar Pandian , Mittal Sumit , Mieres‐Perez Joel , Stoll Raphael , Sander Wolfram , Sanchez‐Garcia Elsa 
Published: May 2019

AbstractSolvent and temperature can affect the structural properties of cyclic peptides by controlling their flexibility. Here, we investigate two cyclic peptides, featuring beta turns. Using temperature‐dependent NMR and FT‐IR, we observed a pronounced temperature effect on the conformation of the cyclic peptide D‐1 in CHCl3 but a much smaller effect in CH3CN. Almost no effect was observed for its diastereomer L‐1 within a similar temperature range and using the same solvents. With the aid of Replica Exchange Molecular Dynamics simulations and Quantum Mechanics/Molecular Mechanics calculations, we were able to explain this behavior based on the increased flexibility of D‐1 (in CHCl3) in terms of intramolecular hydrogen bonding. The largest temperature dependence is observed for D‐1 in CHCl3, while the temperature effect is less pronounced for L‐1 in CHCl3 and for both peptides in CH3CN. This work provides new insights into the role of the environment and temperature on the conformations of cyclic peptides.
Atomic Layer Deposition of Space‐Efficient SnO2 Underlayers for BiVO4 Host–Guest Architectures for Photoassisted Water Splitting
Authors: Lamm Benjamin , Zhou Lite , Rao Pratap , Stefik Morgan 
Published: May 2019

AbstractInvited for this month′s cover are the Stefik and Rao groups at the University of South Carolina and Worcester Polytechnic Institute. The image shows a fantastical submarine solar‐water‐splitting process using the host‐guest architectures described in the report. The Full Paper itself is available at 10.1002/cssc.201802566.
Categorization of species as native or nonnative using DNA sequence signatures without a complete reference library
Authors: Andersen Jeremy C. , Oboyski Peter , Davies Neil , Charlat Sylvain , Ewing Curtis , Meyer Christopher , Krehenwinkel Henrik , Lim Jun Ying , Noriyuki Suzuki , Ramage Thibault , Gillespie Rosemary G. , Roderick George K. 
Published: May 2019

AbstractNew genetic diagnostic approaches have greatly aided efforts to document global biodiversity and improve biosecurity. This is especially true for organismal groups in which species diversity has been underestimated historically due to difficulties associated with sampling, the lack of clear morphological characteristics, and/or limited availability of taxonomic expertise. Among these methods, DNA sequence barcoding (also known as “DNA barcoding”) and by extension, meta‐barcoding for biological communities, has emerged as one of the most frequently utilized methods for DNA‐based species identifications. Unfortunately, the use of DNA barcoding is limited by the availability of complete reference libraries (i.e., a collection of DNA sequences from morphologically identified species), and by the fact that the vast majority of species do not have sequences present in reference databases. Such conditions are critical especially in tropical locations that are simultaneously biodiversity rich and suffer from a lack of exploration and DNA characterization by trained taxonomic specialists. To facilitate efforts to document biodiversity in regions lacking complete reference libraries, we developed a novel statistical approach that categorizes unidentified species as being either likely native or likely nonnative based solely on measures of nucleotide diversity. We demonstrate the utility of this approach by categorizing a large sample of specimens of terrestrial insects and spiders (collected as part of the Moorea BioCode project) using a generalized linear mixed model (GLMM). Using a training data set of known endemic (n = 45) and known introduced species (n = 102), we then estimated the likely native/nonnative status for 4,663 specimens representing an estimated 1,288 species (412 identified species), including both those specimens that were either unidentified or whose endemic/introduced status was uncertain. Using this approach, we were able to increase the number of categorized specimens by a factor of 4.4 (from 794 to 3,497), and the number of categorized species by a factor of 4.8 from (147 to 707) at a rate much greater than chance (77.6% accuracy). The study identifies phylogenetic signatures of both native and nonnative species and suggests several practical applications for this approach including monitoring biodiversity and facilitating biosecurity.
A comprehensive evaluation of predictive performance of 33 species distribution models at species and community levels
Authors: Norberg Anna , Abrego Nerea , Blanchet F. Guillaume , Adler Frederick R. , Anderson Barbara J. , Anttila Jani , Araújo Miguel B. , Dallas Tad , Dunson David , Elith Jane , Foster Scott D. , Fox Richard , Franklin Janet , Godsoe William , Guisan Antoine , O'Hara Bob , Hill Nicole A. , Holt Robert D. , Hui Francis K. C. , Husby Magne , Kålås John Atle , Lehikoinen Aleksi , Luoto Miska , Mod Heidi K. , Newell Graeme , Renner Ian , Roslin Tomas , Soininen Janne , Thuiller Wilfried , Vanhatalo Jarno , Warton David , White Matt , Zimmermann Niklaus E. , Gravel Dominique , Ovaskainen Otso 
Published: May 2019

AbstractA large array of species distribution model (SDM) approaches has been developed for explaining and predicting the occurrences of individual species or species assemblages. Given the wealth of existing models, it is unclear which models perform best for interpolation or extrapolation of existing data sets, particularly when one is concerned with species assemblages. We compared the predictive performance of 33 variants of 15 widely applied and recently emerged SDMs in the context of multispecies data, including both joint SDMs that model multiple species together, and stacked SDMs that model each species individually combining the predictions afterward. We offer a comprehensive evaluation of these SDM approaches by examining their performance in predicting withheld empirical validation data of different sizes representing five different taxonomic groups, and for prediction tasks related to both interpolation and extrapolation. We measure predictive performance by 12 measures of accuracy, discrimination power, calibration, and precision of predictions, for the biological levels of species occurrence, species richness, and community composition. Our results show large variation among the models in their predictive performance, especially for communities comprising many species that are rare. The results do not reveal any major trade‐offs among measures of model performance; the same models performed generally well in terms of accuracy, discrimination, and calibration, and for the biological levels of individual species, species richness, and community composition. In contrast, the models that gave the most precise predictions were not well calibrated, suggesting that poorly performing models can make overconfident predictions. However, none of the models performed well for all prediction tasks. As a general strategy, we therefore propose that researchers fit a small set of models showing complementary performance, and then apply a cross‐validation procedure involving separate data to establish which of these models performs best for the goal of the study.
No guts, no glory: Gut content metabarcoding unveils the diet of a flower‐associated coastal sage scrub predator
Authors: Masonick Paul , Hernandez Madison , Weirauch Christiane 
Published: May 2019

AbstractInvertebrate generalist predators are ubiquitous and play a major role in food‐web dynamics. Molecular gut content analysis (MGCA) has become a popular means to assess prey ranges and specificity of cryptic arthropods in the absence of direct observation. While this approach has been widely used to study predation on economically important taxa (i.e., pests) in agroecosystems, it is less frequently used to study the broader trophic interactions involving generalist predators in natural communities such as the diverse and threatened coastal sage scrub communities of Southern California. Here, we employ DNA metabarcoding‐based MGCA and survey the taxonomically and ecologically diverse prey range of Phymata pacifica Evans, a generalist flower‐associated ambush bug (Hemiptera: Reduviidae). We detected predation on a wide array of taxa including beneficial pollinators, potential pests, and other predatory arthropods. The success of this study demonstrates the utility of MGCA in natural ecosystems and can serve as a model for future diet investigations into other cryptic and underrepresented communities.
Error in estimating area‐level air pollution exposures for epidemiology
Authors: Keller Joshua P. , Peng Roger D. 
Published: May 2019

AbstractIn air pollution epidemiology, measurements of relevant exposure concentrations are typically made at point locations, resulting in spatial misalignment between the exposure data and health outcomes aggregated at the area level. To obtain values that match the spatial units of the health data, observations can be averaged directly or prediction models developed. We present a framework for evaluating the error in aggregating exposure concentrations to the area unit. We present estimators of mean squared error that can be used for model selection. We find that exposure prediction models, even when misspecified, outperform monitor averages in settings with realistic numbers of monitors and that important reductions in error of the health effect estimate can be obtained when restricting to areas with a monitor. In an analysis of long‐term particulate matter concentrations across the United States, we estimated the error of the prediction model approach to be less than that of the monitor averaging approach on average across counties. We present health effect estimates about particulate matter exposure and pediatric asthma morbidity in the Medicaid population using each approach. Our findings support the use of a prediction model for estimating area‐wide averages, even when restricting to areas that contain a monitor.
Incidental detection of oropharyngeal cancer with fluciclovine PET
Authors: Jethanandani Amit , Chen Melissa M. , Gule‐Monroe Maria K. , Morrison William H. , Lai Stephen Y. , Johnson Jason M. 
Published: May 2019

AbstractBackgroundFluorine‐18‐labeled 1‐amino‐3‐fluorocyclobutane‐1‐carboxylic acid (fluciclovine) is a synthetic amino acid radiopharmaceutical initially developed to improve noninvasive diagnosis of gliomas and currently FDA approved for prostate cancer imaging. Although fluciclovine positron emission tomography (PET) has proven to be efficacious in detecting multiple types of cancer, its ability to detect oropharyngeal squamous cell carcinoma (OPSCC) is largely unknown.MethodsWe describe a case of incidental OPSCC detection with fluciclovine PET in a 66‐year old male patient during workup for recurrent prostate adenocarcinoma.ResultsFluciclovine PET detected a left base of tongue (BOT) lesion, which was subsequently confirmed as invasive SCC on surgical pathology.ConclusionGiven these findings, we discuss potential future directions for research with fluciclovine to overcome some of the known limitations of 18[F]fluorodeoxyglucose in oncological imaging.
Exploring characteristics associated with first benzodiazepine prescription in patients with affective disorders and related diagnoses
Authors: De Carlo Vera , Grancini Benedetta , Vismara Matteo , Benatti Beatrice , Arici Chiara , Cremaschi Laura , Cirnigliaro Giovanna , Degoni Luca , Oldani Lucio , Palazzo Carlotta , Glick Ira D. , Viganò Caterina , Dell'Osso Bernardo 
Published: May 2019

AbstractObjectiveIn patients with affective disorders, benzodiazepines (BZDs) are frequently administered at the onset, sometimes inappropriately. We sought to identify clinical variables associated with first BZD prescription in a large sample of patients with affective disorders.MethodsFour hundred sixty patients with mood or anxiety disorders attending different psychiatric services were assessed comparing those who received BZD as first treatment (BZD w/) and those who did not (BZD w/o).ResultsMore than one third (35.7%) of the total sample had received BZDs as first prescription. In relation to mood disorders, BZD w/ subjects more frequently (a) had not a psychiatrist as first therapist, (b) had anxious symptoms at onset, (c) had adjustment disorder as first diagnosis, (d) were treated as outpatients. In relation to specific diagnoses, (a) personal decision of treatment for major depressive disorder, (b) outpatient status for bipolar disorder and (c) longer duration of untreated illness for adjustment disorder were more frequently associated with first BZD prescription. For anxiety disorders, the presence of stressful life events and the diagnoses of panic disorder or specific phobias were more frequently observed in BZD w/ patients.ConclusionPatients with affective disorders frequently received BZDs as first prescription with significant differences between and within mood and anxiety disorders.
Self‐Sorting in Supramolecular Assembly of π‐Systems
Authors: Kar Haridas , Ghosh Suhrit 
Published: May 2019

AbstractSelf‐sorting is a term, which broadly identifies sorting out the individual components within a mixture, which is ubiquitous in Nature. In the recent past such self‐sorting phenomenon has been studied with great interest in supramolecular assembly of wide‐ranging building blocks. In this article, we particularly highlight the examples related to self‐sorting in co‐assembly of donor and acceptor type chromophoric systems. Supramolecular design principles based on immiscibility of chromophore appended chains, π‐surface mismatch, H‐bonding, chirality and others have been discussed in length. Examples correlating molecular assembly features with macroscopic picture have also been discussed particularly in context of implications in organic electronic applications of self‐sorted donor acceptor assemblies.
“Weathering the storm:” Mothers’ and fathers’ experiences of parenting a preterm infant
Authors: O'Donovan Aisling , Nixon Elizabeth 
Published: May 2019

ABSTRACTParenting preterm infants is a unique experience distinct from parenting full‐term infants, characterized by a delayed transition to parenthood and limited caregiving opportunities. This study explored mothers’ and fathers’ lived experiences of parenting during infancy in the context of preterm birth. Semistructured qualitative interviews were conducted with 13 parents (6 fathers, 7 mothers) of preterm infants. Data were analyzed using interpretative phenomenological analysis. Four superordinate themes emerged: (a) An unnatural disaster: The traumatic nature of preterm birth, (b) The immediate aftermath: Disconnected and displaced, (c) Breaking the ice: Moving from frozen to melted, and (d) Aftershocks: Transitioning home. Both parents experienced preterm birth as traumatic. Similarities and differences in mothers’ and fathers’ experiences were identified. Preterm birth posed challenges for nurturant and social caregiving and resulted in anxiety, hypervigilance, and overprotective parenting behavior. The results highlight the need for trauma‐informed care and further research developing and testing empirically based interventions.
Ultrahigh figure‐of‐merit of Cu2Se incorporated with carbon coated boron nanoparticles
Authors: Li Meng , Islam Sheik Md. Kazi Nazrul , Yahyaoglu Mujde , Pan Deng , Shi Xun , Chen Lidong , Aydemir Umut , Wang Xiaolin 
Published: May 2019

AbstractCu2Se based thermoelectric materials are of great potential for high‐temperature energy harvesting due to their high‐temperature figure‐of‐merit (zT). For further development of Cu2Se, both engineering and mid‐temperature figure‐of‐merit need to be improved. In this work, we report that carbon‐coated boron (C/B) nanoparticles incorporation can significantly improve both mid‐ and high‐temperature zT in Cu2Se. The nanoparticle inclusions can result in a homogeneous distribution of Cu:C:B interfaces responsible for both improvement of the Seebeck coefficient and significantly reduction in thermal conductivity. Ultrahigh mid‐ and high temperature thermoelectric performance with zT = 1.7 at 700 K and 2.23 at 1000 K as well as significantly improved engineering zT are achieved in the C/B incorporated Cu2Se with desirable mechanical properties and cycling stability. Our findings will stimulate further study and exploration for the Cu2Se based thermoelectric materials for broad applications in converting waste heat to electricity with competitive energy conversion efficiency.
More than the sum of the parts: Toward full‐length receptor tyrosine kinase structures
Authors: Diwanji Devan , Thaker Tarjani , Jura Natalia 
Published: May 2019

AbstractIntercellular communication governs complex physiological processes ranging from growth and development to the maintenance of cellular and organ homeostasis. In nearly all metazoans, receptor tyrosine kinases (RTKs) are central players in these diverse and fundamental signaling processes. Aberrant RTK signaling is at the root of many developmental diseases and cancers and it remains a key focus of targeted therapies, several of which have achieved considerable success in patients. These therapeutic advances in targeting RTKs have been propelled by numerous genetic, biochemical, and structural studies detailing the functions and molecular mechanisms of regulation and activation of RTKs. The latter in particular have proven to be instrumental for the development of new drugs, selective targeting of mutant forms of RTKs found in disease, and counteracting ensuing drug resistance. However, to this day, such studies have not yet yielded high‐resolution structures of intact RTKs that encompass the extracellular and intracellular domains and the connecting membrane‐spanning transmembrane domain. Technically challenging to obtain, these structures are instrumental to complete our understanding of the mechanisms by which RTKs are activated by extracellular ligands and of the effect of pathological mutations that do not directly reside in the catalytic sites of tyrosine kinase domains. In this review, we focus on the recent progress toward obtaining such structures and the insights already gained by structural studies of the subdomains of the receptors that belong to the epidermal growth factor receptor, insulin receptor, and platelet‐derived growth factor receptor RTK families. © 2019 IUBMB Life, 71(6):706–720, 2019