bluuebunny/crossref_metadata_2025_split huggingface dataset:
Efficient Stress Dissipation in Well‐Aligned Pyramidal SbSn Alloy Nanoarrays for Robust Sodium Storage
Authors: Li Xinyan , Xiao Shuhao , Niu Xiaobin , Chen Jun Song , Yu Yan 
Published: June 2021

AbstractAlloy‐type anode materials are promising for sodium‐ion batteries owing to their high theoretical specific capacity. However, their practical application is limited by the rapid capacity decay resulted from drastic volume change upon sodium (Na) alloying/dealloying. Here, a facile fabrication of well‐aligned antimony tin (SbSn) alloy nanoarrays electrodeposited on copper (Cu) substrates is reported. Such a binary alloy possesses well‐defined triangular pyramid‐like structure, and the subsequent thermal annealing process develops an “alloy glue” at the root of the nanoarrays which generates a strong connection between the active alloy and the copper substrate. Density functional theory calculation results suggest that the as‐fabricated alloy offers an energetically favorable Na diffusion as compared to the individual metals, and the “alloy glue” provides a strong interaction between the substrate and SbSn. More importantly, based on finite‐element analysis, such a unique construction of the triangular pyramid‐like nanostructure not only creates a small difference in the Na+ concentration gradient, but also builds a uniform stress distribution that promotes both highly efficient Na+ diffusion and effective stress dissipation. Collectively, the optimized composition and geometry give rise to the enhanced high‐rate performance and prolonged cycle life of the current SbSn alloy nanoarrays.
C1‐Symmetric Atropisomeric NHC Palladium(II) Complexes: Synthesis, Resolution and Characterization
Authors: Kong Lingyu , Chou Yajie , Jean Marion , Albalat Muriel , Vanthuyne Nicolas , Nava Paola , Humbel Stéphane , Clavier Hervé 
Published: June 2021

AbstractSeries of chiral palladium(II) allyl and cinnamyl complexes bearing a C1‐symmetric N‐heterocyclic carbenes were synthesized from achiral precursors. The chirality of theses complexes results from the formation of the carbene‐palladium bond which restricts the rotation of dissymmetric N‐aryl substituents of the NHC and thus creates an axis of chirality. Chiral HPLC at preparative scale enabled the resolution of racemic complexes and provided a straightforward access to complexes with excellent enantiopurities (>99.5% ee). Enantiopure complexes were studied by crystal X‐ray diffraction and electronic circular dichroism (ECD). Their configuration stabilities were investigated both experimentally and theoretically through the determination of the rotational barrier values. These complexes were tested for the intramolecular α‐arylation of amides, with a moderate chiral induction (up to 54% ee).magnified image
Implementation of the resident exposure to nursing and administration curriculum
Authors: Dorwart Kelsey , Rivera Troy , Schreyer Kraftin E. 
Published: June 2021

AbstractObjectivesClinical competence is an essential component of the practice of emergency medicine (EM), but a well‐rounded physician must gain appreciation and understanding of the many nonclinical aspects of EM, including emergency department (ED) throughput, operational metrics, financial principles, policies and procedures, interaction with nursing, and patient experience. While most residency programs include an administrative component, the majority are during the final year of training. We designed and piloted the Resident Exposure To Nursing and Administration (RETNA) curriculum for postgraduate year one (PGY‐1) residents during orientation. The curriculum included a lecture, departmental tour with operational focus, and nurse shadowing experience, which were completed prior to their first clinical shift. We hypothesized that residents would view this favorably and advocate for formal adoption of the RETNA curriculum. Furthermore, we anticipated that the curriculum would improve relationships between residents and nursing.MethodsThe three‐component RETNA curriculum was piloted at an urban, academic center, with 14 PGY‐1 residents per class, to two PGY‐1 classes over a two‐year period. Surveys were used to assess the resident perception of each component of the curriculum. Quantitative survey results were compared year over year using an unpaired t‐test. Qualitative comments were also recorded and analyzed for content. Nursing evaluation scores of PGY‐1 residents were used to independently analyze the impact of the curriculum on nurse–resident interactions.ResultsThe overall survey response rate was 82%. There was no statistically significant difference between the responses recorded in 2019 versus 2020 (p < 0.05). All PGY‐1s, with one exception, agreed or strongly agreed that a similar session should be included in future orientations. Of the respondents, 88% thought that the lecture on ED flow was educational and 91% agreed that the nurse shadowing shift was a valuable learning experience. All subjective survey responses were positive, and all three components of the curriculum, ED flow, nursing workflow, and patient experience, were mentioned in the comments. Nurse–resident relationships improved after implementation of the curriculum.ConclusionThe overwhelmingly positive feedback we received on this curriculum has led to the adoption of the RETNA curriculum as a core component for future EM orientations at the study institution. Introducing trainees to ED administration and nursing early in residency has few drawbacks and many potential benefits. As such, we advocate for further study and adoption of similar curricula to enhance and supplement existing postgraduate EM resident education.
Water–phosphorus coupling enhances fine root turnover and dry matter yield of alfalfa under drip irrigation
Authors: Liu Xuanshuai , Zhao Junwei , Liu Junying , Lu Weihua , Ma Chunhui , Gu Xinli , Zhang Qianbing 
Published: June 2021

AbstractAlfalfa (Medicago sativa L.)is an important forage with high quality and fine root turnover rate (FRTR). Soil phosphorus (P) availability greatly influences dry matter yield (DMY) and persistence of alfalfa. However, the effects of water (Wa)–P coupling under drip irrigation conditions on alfalfa FRTR and DMY have been rarely studied. Therefore, a 2‐yr field experiment was established with three randomized complete blocks in Xinjiang, China, evaluating three irrigation amounts (5,250, 6,000, and 6,750 m3 ha−1, referred to as W1, W2, and W3, respectively) and four P application rates (0, 50, 100, and 150 kg ha−1, referred to as P0, P1, P2, and P3, respectively) in 2017 and 2018. The Wa–P interaction had a significant effect on alfalfa DMY (P < .05), and DMY reached the maximum at W2P2 treatment. Fine root biomass (FRB) presented a bimodal pattern over time (on 21 June and 20 August) and mainly existed in the soil layers 20‒40 cm underground. All root variables including FRB were positively correlated with alfalfa DMY. Comprehensive analysis showed that W2P2 was the optimal treatment of the 12 treatments. Therefore, the irrigation amount of 6,000 m3 ha−1 and P application rate of 100 kg ha−1 seems beneficial to achieve the relatively rational FRTR and the greater DMY of alfalfa.
Expanding the clinical phenotype of RASopathies in 38 Turkish patients, including the rare LZTR1, RAF1, RIT1 variants, and large deletion in NF1
Authors: Uludağ Alkaya Dilek , Lissewski Christina , Yeşil Gözde , Zenker Martin , Tüysüz Beyhan 
Published: June 2021

AbstractRASopathies are a group of disorders caused by pathogenic variants in the genes encoding Ras/mitogen‐activated protein kinase pathway and share overlapping clinical and molecular features. This study is aimed to describe the clinical and molecular features of 38 patients with RASopathies. Sanger or targeted next‐generation sequencing of related genes and multiplex ligation‐dependent‐probe amplification analysis for NF1 were performed. The pathogenic variant detection rate was 94.4%. While PTPN11 was responsible for 50% of 18 patients with Noonan syndrome (NS), SOS1, LZTR1, RIT1, and RAF1 were responsible for the remaining 27.8%, 11.1%, 5.5%, and 5.5%, respectively. Three variants in LZTR1 were novel, of which two were identified in the compound heterozygous state in a patient with intellectual disability and hypertrophic cardiomyopathy, whereas the third variant was found in the heterozygous state in a patient with pulmonary stenosis and normal intelligence. We described pyloric stenosis, knee dislocation, and cleft palate in patients with SOS1, RIT1, and RAF1 variants, respectively, that was not previously reported. We detected a PTPN11 variant in three patients from same family with NS with multiple lentigines. BRAF and MAP2K2 variants were found in eight patients with Cardiofaciocutaneous syndrome. Two variants in HRAS were detected in two Costello syndrome patients, one with a mild and the other with a severe phenotype. While large NF1 deletions were identified in four Neurofibromatosis‐NS patients with intellectual disability, intelligence was normal in one patient with missense variant. In conclusion, this study provided three novel variants in LZTR1 and expanded the clinical phenotype of rare RASopathies.
Base‐mediated Benzannulation Reactions for the Synthesis of Densely Functionalized Aryl α‐Keto Esters
Authors: Jia Qianfa , Yin Guoliang , Lan Yunfei , Lin Yinhe , Ren Qiao 
Published: June 2021

AbstractA novel and straightforward strategy for the construction of versatile densely functionalized aryl α‐keto esters is disclosed through a one‐pot and efficient [4+2] benzannulation reaction of α‐cyano‐β‐methylenones and ynediones, which could be synthesized easily from the corresponding starting materials. This protocol features high yield, mild metal‐free reaction condition, high atom economy, high functional‐group tolerance, easy handing and gram‐scale synthesis.
Uniparental genetic markers in Native Americans: A summary of all available data from ancient and contemporary populations
Authors: Bisso‐Machado Rafael , Fagundes Nelson J. R. 
Published: June 2021

AbstractObjectivesThe aim of this study was to create a comprehensive summary of available mtDNA and Y‐chromosome data for Native Americans from North, Central, and South America, including both modern and ancient DNA. To illustrate the usefulness of this dataset we present a broad picture of the genetic variation for both markers across the Americas.MethodsWe searched PubMed, ResearchGate, Google Scholar for studies about mtDNA or Y‐chromosome variation in Native American populations, including geographic, linguistic, ecological (ecoregion), archeological and chronological information. We used AMOVA to estimate the genetic structure associated with language and ecoregion grouping and Mantel tests to evaluate the correlation between genetic and geographic distances.ResultsGenetic data were obtained from 321 primary sources, including 22,569 individuals from 298 contemporary populations, and 3628 individuals from 202 archeological populations. MtDNA lineages of probable non‐Amerindian origin were rare, in contrast with Y‐chromosome lineages. Mantel tests showed a statistically significant correlation for the whole continent considering mtDNA but not the Y‐chromosome. Genetic structure between groups was always stronger for mtDNA than for the Y‐chromosome.ConclusionsThis study summarizes decades of research conducted in Native American populations for both mtDNA and the Y‐chromosome. Continental or sub‐continental patterns of variation reveal that most of the genetic variation occurs within populations rather than among linguistic or ecoregional groups, and that isolation by distance is barely detectable in most population sets. The genetic structure among groups was always larger for mtDNA than for the Y‐chromosome, suggesting between‐sex differences in gene flow.
Molecular Plumbing to Bend Self‐Assembling Peptide Nanotubes
Authors: Novelli Federica , Vilela Marcos , Pazó Antía , Amorín Manuel , Granja Juan R. 
Published: June 2021

AbstractLight‐induced molecular piping of cyclic peptide nanotubes to form bent tubular structures is described. The process is based on the [4+4] photocycloaddition of anthracene moieties, whose structural changes derived from the interdigitated flat disposition of precursors to the corresponding cycloadduct moieties, induced the geometrical modifications in nanotubes packing that provokes their curvature. For this purpose, we designed a new class of cyclic peptide nanotubes formed by β‐ and α‐amino acids. The presence of the former predisposes the peptide to stack in a parallel fashion with the β‐residues aligned along the nanotube and the homogeneous distribution of anthracene pendants.
Thermal convection in a layer of micropolar nanofluid
Authors: Chand Ramesh , Yadav Dhananjay , Bhattacharyya Krishnendu , Awasthi Mukesh Kumar 
Published: June 2021

AbstractThe theoretical investigation of thermal convection in a horizontal layer of micropolar nanofluid is examined within the rule of linear stability hypothesis. The model applied for nanofluid integrates the impact of Brownian and thermophoresis diffusions. The flux of the volumetric fraction of nanoparticles is considered to be nil on the boundaries. The critical eigenvalues are achieved using the Galerkin approach, and the results are discussed and illustrated graphically. The results show that the Lewis number, the modified diffusivity ratio, the nanoparticle Rayleigh number, and the coefficient of coupling amid spin and heat flux accelerate the onset of convective motion, whereas the micropolar parameter and the coefficient of coupling amid vorticity and spin delay the onset of convective motion in the system.
Stability of Darcy thermosolutal convection in bidispersive porous medium with reaction
Authors: Badday Alaa Jabbar , Harfash Akil J. 
Published: June 2021

AbstractAnalysis of fluid flow in a bidispersive medium with reactions is explored. The Darcy model is used in the momentum equation with the density being a linear function in temperature and salt concentration. Two cases are regarded which are heated below and salted above system and heated and salted below system. It is presumed that the equilibrium solute concentration follows a linear relationship to temperature. A linear instability and nonlinear stability theories are conducted, and from the outputs of the analysis, the Chebyshev collocation approach is used to solve the resulting eigenvalue systems. The effects of the chemical reaction and other parameters on temperature Rayleigh number are described graphically.
3‐Aryl‐substituted imidazo[1,2‐a]pyridines as antituberculosis agents
Authors: Karale Uttam B. , Shinde Akash U. , Babar Dattatraya A. , Sangu Komal G. , Vagolu Siva Krishna , Eruva Vamshi K. , Jadav Surender S. , Misra Sunil , Dharmarajan Sriram , Rode Haridas B. 
Published: June 2021

AbstractNovel inhibitors are needed to tackle tuberculosis. Herein, we report the 3‐aryl‐substituted imidazo[1,2‐a]pyridines as potent antituberculosis agents. A small library of 3‐aryl‐substituted imidazo[1,2‐a]pyridines was synthesized using direct arylation, followed by nitro reduction and finally Pd‐catalyzed C−N coupling reactions. The compounds thus obtained were evaluated against Mycobacterium tuberculosis H37Rv. Compound 26 was identified as an antituberculosis lead with a minimum inhibitory concentration of 2.3 μg/ml against M. tuberculosis H37Rv. This compound showed a selectivity index of 35. The docking of 26 in the active site of the M. tuberculosis cytochrome bc1 complex cytochrome b subunit (Mtb QcrB) revealed key π–π interactions of compound 26 with the Tyr389 and Trp312 residues of Mtb QcrB.
Keeping Children Safe in Out‐of‐School‐Hours Care: Perceptions of Staff and Managers of One Provider in Sydney, Australia
Authors: Hadley Fay , Waniganayake Manjula , Mevawalla Zinnia , Jones Catherine , Blythin Suzanne , Beauchamp Diana 
Published: June 2021

This study explores perceptions of child abuse and child protection matters involving staff working in the out‐of‐school‐hours care (OSHC) sector. Quantitative and qualitative data were collected through an online survey, focus group and interviews with staff and managers employed by one organisation that provided OSHC services in Sydney, Australia. This paper reports on their perceptions about implementing mandatory reporting requirements associated with the concepts of ‘significant harm’ and ‘reportable conduct’. The aim of this paper is to engage OSHC stakeholders, including government, in reviewing child protection policies and practices to support educators in their work with children. Key findings indicate the inadequacy of available training, and the importance of relationships and communication between stakeholders, especially OSHC and school staff. This requires systemic change including raising the status of OSHC and the critical role that these educators have in supporting children's development, learning and wellbeing during the early years of school.Key Practitioner Messages

It is important that leadership supports educators to engage in respectful partnerships with families and schools to ensure child protection, and thereby child wellbeing and learning outcomes
Training in supporting children's safety and wellbeing in OSHC is critical.
There is a need for a systems approach to OSHC services which places children's development, learning and wellbeing at the forefront of professional practice.
‘Explores perceptions of child abuse and child protection matters involving staff working in the out‐of‐school‐hours care (OSHC) sector’
Cassane‐Type Diterpenoids from the Seeds of Caesalpinia bonduc (L.) Roxb.
Authors: Cao Jun , Xu Yunshao , Lou Ruohan , Shi Wei , Chen Jiali , Gan Lishe , Lu Jinjian , Lin Ligen 
Published: June 2021

AbstractTen new cassane‐type diterpenoids were isolated from the seeds of Caesalpinia bonduc (L.) Roxb., including 6α‐hydroxycaesalpinin P (1), 14‐epi‐caesalpinin E1 (2), 6‐deacetylcaesalmin Z (3), 14‐epi‐caesalmin Z (4), caesalpinolides I (5), K (6), L (7), M (9) and N (10), and 14‐epi‐neocaesalpin L (8). Their planar structures and absolute configurations were fully determined by comprehensive spectroscopic methods, including 2D NMR and electronic circular dichroism spectra. Compounds 1–4 are tetracyclic cassane diterpenoids possessing a furan ring, and compounds 5–10 are tetracyclic cassane diterpenoids possessing a fused butenolide moiety. The anti‐inflammatory and cytotoxic activities of the isolates were evaluated, while none of them showed obvious effects. The current study identified ten new cassane‐type diterpenoids from the seeds of C. bonduc (L.) Roxb., which enriched the chemical diversity of the titled herbal medicine.
Enzymatic Synthesis Assisted Discovery of Proline‐Rich Macrocyclic Peptides in Marine Sponges
Authors: Mohanty Ipsita , Nguyen Nguyet A. , Moore Samuel G. , Biggs Jason S. , Gaul David A. , Garg Neha , Agarwal Vinayak 
Published: June 2021

AbstractProline‐rich macrocyclic peptides (PRMPs) are natural products present in geographically and phylogenetically dispersed marine sponges. The large diversity and low abundance of PRMPs in sponge metabolomes precludes isolation and structure elucidation of each individual PRMP congener. Here, using standards developed via biomimetic enzymatic synthesis of PRMPs, a mass spectrometry‐based workflow to sequence PRMPs was developed and validated to reveal that the diversity of PRMPs in marine sponges is much greater than that has been realized by natural product isolation‐based strategies. Findings are placed in the context of diversity‐oriented transamidative macrocyclization of peptide substrates in sponge holobionts.
Introducing Electrochemically Active Oxygen Species to Boost the Pseudocapacitance of Carbon‐based Supercapacitor
Authors: Hu You Ren , Dong Xiao Ling , Zhuang Hong Kun , Yan Dong , Hou Lu , Li Wen Cui 
Published: June 2021

AbstractLow energy density is the main bottleneck for carbon‐based supercapacitors, which can be addressed by introducing extra faradaic pseudocapacitance. Herein, a cyclic voltammetry oxidation method in 1 M H2SO4 electrolyte was employed for carbon electrode to produce electrochemically active oxygen functional groups that are in contact with the conductive substrates, which facilitates the implementation of the pseudocapacitance. Moreover, the influence of potential window and sweep rate on the components and performances of oxidized electrodes in the cyclic voltammetry oxidation process was systematically investigated. The results reveal that a broad potential window of −0.65∼2 V can enhance the oxygen content to 16.4 wt.% (vs. 7.6 wt.% within −0.65∼1.5 V). Additionally, a selective oxygen component dominated with redox active C−OH and C=O groups was achieved by a rapid potentiodynamic sweep at 20 mV s−1, simultaneously suppressing the ‐COOH groups with inferior conductivity. The oxidized AC electrodes could substantially improve the specific capacitance (534 vs. 150.3 F g−1 at 1 A g−1) without sacrifice of rate performance (retained 418 F g−1 at 20 A g−1), accompanying excellent cycling stability of 94 % of initial capacitance after 10000 cycles. Such finding would provide some reference for tailoring oxygen species to fabricate advanced carbon‐based supercapacitor electrodes.
A deeper dive: A mixed methods approach to risk tolerance
Authors: Lurtz Meghaan R. , Archuleta Kristy , Kothakota Michael , Jorgensen Timi Joy 
Published: June 2021

AbstractMost risk tolerance studies are quantitative, even though many factors that may affect the manifestation of risk tolerance are qualitative. This study employed a mixed‐methods approach to investigate how individuals consider risk tolerance as it relates to their financial situation. Fuzzy‐trace theory, a psycholinguistic theory of risk processing rooted in prospect theory that is becoming increasingly popular in the medical field, guided the study. Quantitative results indicate that stated versus revealed measures of risk tolerance are not consistent for most people. However, higher risk literacy increases the likelihood of consistency. Qualitative results reveal that individuals perceive risk tolerance through various lenses, including knowledge, values, emotions, and personal experience.
Nuclear magnetic resonance chiral discrimination of fipronil and malathion agrochemicals: A case study
Authors: Iarocz Lucas E. B. , Silva Márcio S. 
Published: June 2021

AbstractThe aim of the present study was to optimize a protocol for nuclear magnetic resonance (NMR) chiral discrimination to be used to determine the enantiomers ratio of agrochemicals. For this goal, the commercial agrochemicals fipronil and malathion were employed as active targets due the distinct physicochemical properties. We used the cyclodextrins to evaluate the chiral discrimination in aqueous media and chiral solvent agents to check in organic media. The fipronil chiral discrimination was accessed by β‐CD in aqueous solution, although this procedure was ineffective for malathion due the low solubility. In organic media, the NMR chiral discrimination was successful for both agrochemicals and sensitive to dilution process. The NMR experiments explore very sensitive nuclei, for instance 1H, 19F, and 31P, in a simple, practical and low residue experimental protocol.