bluuebunny/crossref_metadata_2025_split huggingface dataset:
Adaptive associations among life history, reproductive traits, environment, and origin in the Wisconsin angiosperm flora
Authors: Givnish Thomas J. , Kriebel Ricardo , Zaborsky John G. , Rose Jeffrey P. , Spalink Daniel , Waller Donald M. , Cameron Kenneth M. , Sytsma Kenneth J. 
Published: December 2020

PremiseWe tested 25 classic and novel hypotheses regarding trait–origin, trait–trait, and trait–environment relationships to account for flora‐wide variation in life history, habit, and especially reproductive traits using a plastid DNA phylogeny of most native (96.6%, or 1494/1547 species) and introduced (87.5%, or 690/789 species) angiosperms in Wisconsin, USA.MethodsWe assembled data on life history, habit, flowering, dispersal, mating system, and occurrence across open/closed/mixed habitats across species in the state phylogeny. We used phylogenetically structured analyses to assess the strength and statistical significance of associations predicted by our models.ResultsIntroduced species are more likely to be annual herbs, occupy open habitats, have large, visually conspicuous, hermaphroditic flowers, and bear passively dispersed seeds. Among native species, hermaphroditism is associated with larger, more conspicuous flowers; monoecy is associated with small, inconspicuous flowers and passive seed dispersal; and dioecy is associated with small, inconspicuous flowers and fleshy fruits. Larger flowers with more conspicuous colors are more common in open habitats, and in understory species flowering under open (spring) canopies; fleshy fruits are more common in closed habitats. Wind pollination may help favor dioecy in open habitats.ConclusionsThese findings support predictions regarding how breeding systems depend on flower size, flower color, and fruit type, and how those traits depend on habitat. This study is the first to combine flora‐wide phylogenies with complete trait databases and phylogenetically structured analyses to provide powerful tests of evolutionary hypotheses about reproductive traits and their variation with geographic source, each other, and environmental conditions.
Novel Series of Mononuclear Aluminum Complexes for High‐Performance Solution‐Processed Organic Light‐Emitting Devices
Authors: Nakao Kohei , Sasabe Hisahiro , Shibuya Yusuke , Matsunaga Amane , Katagiri Hiroshi , Kido Junji 
Published: December 2020

AbstractLight metal complexes, such as lithium (Li), sodium (Na), magnesium (Mg), and aluminum (Al) complexes, are attractive candidates for the fabrication of thermally activated delayed fluorescent (TADF) materials. Nevertheless, mononuclear Al complexes with delayed fluorescence have not been developed so far. In this study, we successfully developed a novel series of highly luminescent Al complexes with two phenylacridine‐modified asymmetric acetylacetonate‐type ligands. These complexes exhibit high photoluminescence quantum yields (PLQYs) of up to 79 % in the solid state with a short delayed fluorescence lifetime of approximately 4 μs. Solution‐processed organic light‐emitting devices (OLEDs) using these Al complexes exhibit excellent performance with an external quantum efficiency of 17.5 % at 100 cd m−2. This is the best performance in light metal‐based TADF OLEDs reported so far. The results are expected to guide the advancement of the next‐generation solid‐state lighting technology.
Some notes concerning open clusters and GAIA DR2 data
Authors: Loktin Alexander Vasilievich , Popova Maria Erikovna 
Published: December 2020

AbstractIssues in applying the Gaia DR2 data to determine the main parameters of open star clusters and the use of a formal, two‐color diagram for the initial selection of cluster members are discussed. The possibility of using the catalog estimates of interstellar absorption is considered. It has been shown that these estimates correlate with the E(B − V) values; therefore, E(B − V) values known for many clusters can be used to obtain the interstellar absorption and color excesses in the Gaia system. Distance estimates obtained from the averaged trigonometric parallaxes of probable members are reliable up to distance of 1.5 − 2 kpc from the Sun.
Burnout, depersonalization, and anxiety contribute to post‐traumatic stress in frontline health workers at COVID‐19 patient care, a follow‐up study
Authors: Miguel‐Puga José Adán , Cooper‐Bribiesca Davis , Avelar‐Garnica Francisco José , Sanchez‐Hurtado Luis Alejandro , Colin‐Martínez Tania , Espinosa‐Poblano Eliseo , Anda‐Garay Juan Carlos , González‐Díaz Jorge Iván , Segura‐Santos Oscar Bernardo , Vital‐Arriaga Luz Cristina , Jáuregui‐Renaud Kathrine 
Published: December 2020

AbstractIntroductionWe designed a follow‐up study of frontline health workers at COVID‐19 patient care, within the same working conditions, to assess the influence of their general characteristics and pre‐existing anxiety/depression/dissociative symptoms and resilience on the development of symptoms of post‐traumatic stress disorder (PTSD), while monitoring their quality of sleep, depersonalization/derealization symptoms, acute stress, state anxiety, and burnout.MethodsIn a Hospital reconfigured to address the surge of patients with COVID‐19, 204 frontline health workers accepted to participate. They completed validated questionnaires to assess mental health: before, during, and after the peak of inpatient admissions. After each evaluation, a psychiatrist reviewed the questionnaires, using the accepted criteria for each instrument. Correlations were assessed using multivariable and multivariate analyses, with a significance level of .05.ResultsCompared to men, women reporting pre‐existing anxiety were more prone to acute stress; and younger age was related to both pre‐existent common psychological symptoms and less resilience. Overall the evaluations, sleep quality was bad on the majority of participants, with an increase during the epidemic crisis, while persistent burnout had influence on state anxiety, acute stress, and symptoms of depersonalization/derealization. PTSD symptoms were related to pre‐existent anxiety/depression and dissociative symptoms, as well as to acute stress and acute anxiety, and negatively related to resilience.ConclusionsPre‐existent anxiety/depression, dissociative symptoms, and coexisting acute anxiety and acute stress contribute to PTSD symptoms. During an infectious outbreak, psychological screening could provide valuable information to prevent or mitigate against adverse psychological reactions by frontline healthcare workers caring for patients.
Metastability and Seeding Effects in the Mechanochemical Hybrid Lead(II) Iodide Formation
Authors: Wilke Manuel , Gawryluk Dariusz Jakub , Casati Nicola 
Published: December 2020

AbstractThe mechanism for the mechanochemical synthesis of (C(NH2)3)3PbI5 3 and (C(NH2)3)4PbI6 4 and their conversion into each other is presented. We investigated the synthesis of 3 at different frequencies and energies using in situ powder X‐ray diffraction. By splitting the reaction into single parts we could prove that the formation of 3 is simply dependent on the energy and mixing speed. The nucleation of 4 instead is slightly negative dependent on the energy but dependent on the mixing speed, while its growth is mostly independent of any influence. We were able to influence the reaction pathways by seeding the mixture with a small amount of powdery 4. The formation of 4 is very likely an auto‐catalytic process. 3 instead is metastable. It can be stabilized by energy, which beside mechanochemistry can also be achieved by temperature. The results showcases the complex nature of mechanochemical reactions.
Conformational Equilibria of 2‐Methoxypyridine⋅⋅⋅CO2: Cooperative and Competitive Tetrel and Weak Hydrogen Bonds
Authors: Cheng Wanying , Zheng Yang , Herbers Sven , Zheng Huaili , Gou Qian 
Published: December 2020

AbstractThe rotational spectrum of 2‐methoxypyridine⋅⋅⋅CO2 was recorded and analysed employing a cavity‐based Fourier transform microwave spectrometer, complemented with quantum chemical calculations which predicted three possible isomers within energies less than 1000 cm−1. The two most stable isomers were observed in the pulsed jet, which are stabilized by a network of C⋅⋅⋅N/O tetrel and C−H⋅⋅⋅O weak hydrogen bonds. The relative population ratio of the two detected isomers was estimated to be NI/NII≈2.5. The competition and cooperation of the present non‐covalent interactions in both isomers are discussed within the framework of Bader's quantum theory of atoms in molecules and Johnson's non‐covalent interaction analyses. The study shows, that when looking for CO2 adsorbents, one might prefer candidates with multiple interactions in one site over candidates with few but strong interactions.
Redox mediator assists electron transfer in lithium–sulfur batteries with sulfurized polyacrylonitrile cathodes
Authors: Zhao Chang‐Xin , Chen Wei‐Jing , Zhao Meng , Song Yun‐Wei , Liu Jia‐Ning , Li Bo‐Quan , Yuan Tongqi , Chen Cheng‐Meng , Zhang Qiang , Huang Jia‐Qi 
Published: December 2020

AbstractThe development of next‐generation high‐energy‐density batteries requires advanced electrode materials. Sulfurized polyacrylonitrile (SPAN) is considered a promising sulfur cathode with the merits of high specific capacity and long cycling stability for high‐performance lithium–sulfur (Li–S) batteries. Nevertheless, the practical performances of SPAN cathodes are severely limited by the unfavorable electron accessibility due to the relatively low intrinsic conductivity and large particle size. Herein, a redox mediation strategy is proposed to accelerate the electron transfer processes in working Li–S batteries with SPAN cathodes. Specifically, a quinone‐based redox mediator is introduced to provide an additional redox pathway with strengthened interfacial kinetics. The redox mediator assisted SPAN cathodes exhibit higher specific capacity, improved rate performance, reduced polarization, and longer cycling lifespan with both ether‐based and carbonate‐based electrolyte. This work demonstrates the feasibility of redox mediation to promote the electron accessibility for high‐performance Li–S batteries with SPAN cathodes.image
Disentangling beliefs about emotions from emotion schemas
Authors: Veilleux Jennifer C. , Chamberlain Kaitlyn D. , Baker Danielle E. , Warner Elise A. 
Published: December 2020

AbstractObjectiveThe current study sought to empirically evaluate a new clinical tool, the Individual Beliefs about Emotion (IBAE) which assesses nine beliefs about emotion. The goal was to examine the overlap of the IBAE with the Leahy Emotional Schema Scale (LESS), indices of psychopathology, and emotion dysregulation.MethodParticipants (n = 513) completed the IBAE, the LESS, and measures of affective distress, borderline personality features, and emotion dysregulation.ResultsResults indicated that both emotion beliefs (IBAE) and schemas (LESS) were influenced by age and gender. Both measures significantly predicted variance in affective distress, borderline symptoms, and emotion dysregulation, although the LESS was a stronger predictor.ConclusionWe conclude that the LESS total score is a particularly useful measure of maladaptive schematic attitudes toward emotion, with additional evidence that the IBAE is a clinical tool that can be useful in psychotherapy to quickly assess a variety of emotion beliefs.
iTRAQ‐based proteomic analysis of the hippocampus of pentylenetetrazole‐kindled epileptic rats
Authors: Xu Weiye , Zhang Siyuan , Feng Yanyan , Zhang Chen , Xiao Yeqing , Tian Fafa 
Published: December 2020

AbstractEpilepsy can severely affect the quality of life of patients, who are often at higher risk of mortality. However, the molecular mechanisms and pathogenesis underlying epileptogenesis are poorly understood. In this study, we performed a proteomic analysis of the hippocampus in pentylenetetrazole (PTZ)‐kindled epileptic rats to explore the molecular mechanisms of epileptogenesis. We established an epileptic model in Sprague Dawley rats by injecting PTZ intraperitoneally and applied isobaric tags for relative and absolute quantification (iTRAQ) technology integrated with liquid chromatography–tandem mass spectrometry (LC–MS/MS) to identify differentially expressed proteins (DEPs) in the hippocampus. A total of 99 proteins, comprising 93 upregulated and 6 downregulated proteins, were identified based on a fold change >1.2 (or <0.83) and a p‐value < .05. A further bioinformatics analysis suggested that the candidate proteins were mainly involved in the ubiquitin ligase complex or metabolite homeostasis or acted as intrinsic components of the membrane. A Kyoto Encyclopedia of Gene and Genomes (KEGG) pathway enrichment analysis identified a series of representative pathological pathways, including the calcium signaling pathway, neuroactive ligand‐receptor interaction pathway, and the NF‐kappa B pathway. The mass spectrometry results were further confirmed by assessing five representative proteins (Akt1, Syvn1, Amfr, Lamb1, and Cox17) using western blotting and immunohistochemistry. These results may help to reveal the molecular mechanisms underlying epileptogenesis and provide new directions or targets for epilepsy research.
Microstructural changes in the brain after long‐term post‐concussion symptoms: A randomized trial
Authors: Trillingsgaard Næss‐Schmidt Erhard , Udby Blicher Jakob , Møller Thastum Mille , Ulrikka Rask Charlotte , Wulff Svendsen Susanne , Schröder Andreas , Høgh Tuborgh Astrid , Østergaard Leif , Sangill Ryan , Lund Torben , Nørhøj Jespersen Sune , Roer Pedersen Asger , Hansen Brian , Fristed Eskildsen Simon , Feldbæk Nielsen Jørgen 
Published: December 2020

AbstractA recent randomized controlled trial in young patients with long‐term post‐concussion symptoms showed that a novel behavioral intervention “Get going After concussIoN” is superior to enhanced usual care in terms of symptom reduction. It is unknown whether these interventional effects are associated with microstructural brain changes. The aim of this study was to examine whether diffusion‐weighted MRI indices, which are sensitive to the interactions between cellular structures and water molecules' Brownian motion, respond differently to the interventions of the above‐mentioned trial and whether such differences correlate with the improvement of post‐concussion symptoms. Twenty‐three patients from the intervention group (mean age 22.8, 18 females) and 19 patients from the control group (enhanced usual care) (mean age 23.9, 14 females) were enrolled. The primary outcome measure was the mean kurtosis tensor, which is sensitive to the microscopic complexity of brain tissue. The mean kurtosis tensor was significantly increased in the intervention group (p = 0.003) in the corpus callosum but not in the thalamus (p = 0.78) and the hippocampus (p = 0.34). An increase in mean kurtosis tensor in the corpus callosum tended to be associated with a reduction in symptoms, but this association did not reach significance (p = 0.059). Changes in diffusion tensor imaging metrics did not differ between intervention groups and were not associated with symptoms. The current study found different diffusion‐weighted MRI responses from the microscopic cellular structures of the corpus callosum between patients receiving a novel behavioral intervention and patients receiving enhanced usual care. Correlations with improvement of post‐concussion symptoms were not evident.
Harnessing PGPR inoculation through exogenous foliar application of salicylic acid and microbial extracts for improving rice growth
Authors: Bowya Thangamuthu , Balachandar Dananjeyan 
Published: December 2020

AbstractPlant‐growth‐promoting rhizobacteria (PGPR) should effectively colonize along the plant root to enhance the plant and soil health. The present investigation aims to improve the PGPR‐mediated plant health benefits through above‐ground foliar management. A green fluorescent protein‐tagged PGPR strain, Pseudomonas chlororaphis (ZSB15‐M2) was inoculated in a nonautoclaved agricultural soil before rice culturing. Salicylic acid and cell extracts of Corynebacterium glutamicum and Saccharomyces cerevisiae as a supply of hormonal and inducer compounds were applied on the foliage of the 10‐days‐old rice plants and subsequently observed the colonizing ability of ZSB15‐M2. The cell extracts of Corynebacteria and yeast showed a 100‐fold increase in the ZSB15‐M2 population in the rhizosphere of rice, whereas salicylic acid had a 10‐fold increase in relation to mock control. The rice root exudates collected after the spraying of salicylic acid and microbial extracts showed significantly enhanced release of total carbon, total protein, total sugar, total amino nitrogen, total nitrogen, and phenol content. In vitro assays revealed that these root exudates collected after exogenous spray of these chemicals enhanced the chemotactic motility and biofilm formation of ZSB15‐M2 compared to the control plant's root exudate. Metabolomic analysis of root exudates collected from these rice plants by gas chromatography–mass spectrometry revealed that the Corynebacteria and yeast cell extracts enhanced the divergence of metabolites of rice root exudate. Further, due to these cumulative effects in the rice rhizosphere, the total chlorophyll, total protein, total nitrogen, and total phosphorus of rice were significantly improved. These observations provide insights into the rhizosphere functioning of rice plants as modulated by above‐ground treatments with improved colonization of inoculant strains as well as the plant growth.
Targeting VEGFR2 protein by marine Streptomyces globosus VITLGK011‐derived compound BECA: An in vitro and in silico analysis
Authors: Lokesh Ravi , Jeyakanthan Jeyaraman , Kannabiran Krishnan 
Published: December 2020

AbstractThis study investigates the anticancer cytotoxic mechanism of action of benzoyloxy‐ethyl‐carbamic acid (BECA) produced by Streptomyces globosus VITLGK011. Flow cytometry analysis confirmed that BECA (at IC50: 3.12 µg/ml) treatment for 24 h induced apoptosis in 60% of cells. Schrodinger Maestro tools such as QikProp and DFT were used to confirm that BECA is an eligible drug‐like molecule, with suitable physiochemical properties. Glide XP tool was used to perform induced‐fit docking between BECA and 30 cancer drug target proteins. The highest significance was observed for VEGFR2 protein (−6.7 kcal/mol). GROMACS tool was used to perform molecular dynamic simulation between BECA and VEGFR2 protein for 40 ns. Root mean square deviation, root mean square fluctuation, H‐bond, and trajectory analysis, confirmed that BECA is a suitable inhibitor of VEGFR2 protein. Results conclude that BECA is a valid VEGFR2 inhibitor, and it thus exerts the observed anticancer cytotoxicity against MCF‐7 cells.
Implementation of Sustainable Solvents in Green Polymerization Approaches
Authors: Conelli Daniele , Margiotta Nicola , Grisorio Roberto , Suranna Gian Paolo 
Published: December 2020

AbstractIn modern polymer chemistry directed toward the synthesis of conjugated materials, the synthetic routes devised to achieve the process sustainability are based on CH bond activation. This prerequisite distinguishes both the tandem Suzuki−Heck as well as the direct arylation polymerizations (DArP); however, their compatibility with environmentally benign solvents still represents a challenge. In this paper, the implementation of sustainable solvents for the synthesis of poly(9,9‐dioctylfluorenylene‐vinylene) by using the traditional Pd(AcO)2/P(o‐Tol)3/NEt3 catalytic system is described. It is assessed that selected green solvents (i.e., anisole and propylene carbonate) constitute the ideal media for the tandem Suzuki–Heck polymerization. Furthermore, by modulating medium polarity using mixtures of these green solvents and changing the reaction temperature, a suitable compromise between high molecular weights and regioregularity of the resulting polymers is reached. Conversely, the presence of propylene carbonate is deleterious for the DArP of 2‐bromo‐3‐hexylthiophene, while it is found that catalyst performances in anisole strictly depend on the palladium source used. The best conditions are obtained using PdCl2(PPh3)2 as the precatalyst, affording a highly regioregular (93%) poly(3‐hexylthiophene) in quantitative yields and high molecular weights (26.7 kg mol−1).
A new ride‐sharing model incorporating the passengers' efforts
Authors: Yao Danli , He Simai , Wang Zhen 
Published: December 2020

AbstractWe address a novel ride‐sharing model aiming to improve the quality of carpool services, by means of incorporation of passengers' efforts. In densely populated areas, locating and picking up passengers are often time costly. These phenomena, which are rarely considered in literature, will hurdle the service efficiency of ride‐sharing businesses by a significant amount, and contribute to the performance gap between theoretical estimation and practical performance. We notice that major platforms, such as DiDi, Uber, and Lyft are all starting innovative ways to encourage passengers to take efforts to walk to the assigned stations. We present a static optimization model for the planning stage of the service and establish an estimation of the carpooling rate for each station together with robustness consideration. In addition, we provide simple and efficient optimization algorithms with theoretical performance guarantee. At the same time, we conduct simulation studies based on both random generated data and open accessible data from DiDi. By applying our model and algorithm to the data of DiDi, we can achieve carpooling rates of 90% while passengers are located within an average radius of 250 m spending an extra waiting time of less than 3 min for their shared rides during rush hour.
Numerical solution of singularly perturbed 2D parabolic initial‐boundary‐value problems based on reproducing kernel theory: Error and stability analysis
Authors: Fardi Mojtaba , Ghasemi Mehdi 
Published: December 2020

AbstractThe main aim of this article is to propose two computational approaches on the basis of the reproducing kernel Hilbert space method for solving singularly perturbed 2D parabolic initial‐boundary‐value problems. For each approach, the solution in reproducing kernel Hilbert space is constructed with series form, and the approximate solution um is given as an m‐term summation. Furthermore, convergence of the proposed approaches is presented which provides the theoretical basis of these approaches. Finally, some numerical experiments are considered to demonstrate the efficiency and applicability of proposed approaches.
Evaluation of the role of devulcanized rubber on the thermomechanical properties of expanded ethylene‐propylene diene monomers composites
Authors: Valentini Francesco , Dorigato Andrea , Rigotti Daniele , Pegoretti Alessandro 
Published: December 2020

AbstractVarious amounts of both devulcanized (DR) and non‐devulcanized (NDR) recycled rubber were melt compounded with a virgin ethylene‐propylene diene monomer (EPDM) rubber. The resulting compounds were then expanded by using azodicarbonamide. The role played by the presence of DR or NDR on the thermomechanical properties of the obtained materials was evaluated. Electron scanning microscope micrographs highlighted that DR particles were better encapsulated within the EPDM matrix with respect to the corresponding NDR ones. Moreover, a better interfacial adhesion was observed with DR, probably due the re‐vulcanization process in which the free crosslinking sites that typically characterize DR could form linkages with the EPDM matrix. Tensile impact behavior of expanded EPDM/recycled rubber blends highlighted a strong improvement of the normalized total absorbed energy, of the normalized impact strength and of the elongation at break with respect to the neat expanded EPDM for all the investigated compositions, and especially with a DR content of 20 wt%. The preparation of expanded EPDM containing considerable amounts of devulcanized rubber was, therefore, demonstrated to be a practical route to reduce the costs and improve the properties and the environmental sustainability of rubber products.