bluuebunny/crossref_metadata_2025_split huggingface dataset:
Honeycomb‐like carbon materials derived from coffee extract via a “salty” thermal treatment for high‐performance Li‐I2 batteries
Authors: Su Zhong , Ling Han Yeu , Li Meng , Qian Shangshu , Chen Hao , Lai Chao , Zhang Shanqing 
Published: March 2020

AbstractSustainable, conductive, and porous carbon materials are ideal for energy storage materials. In this study, honeycomb‐like carbon materials (HCM) are synthesized via a “salty” thermal treatment of abundant and sustainable coffee extract. Systematic materials characterization indicates that the as‐prepared HCM consists of heteroatoms (N and O, etc.) doped ultra‐thin carbon framework, possesses remarkable specific surface area, and excellent electrical conductivity. Such properties bestow HCM outstanding materials to be the blocking layer for Li‐I2 battery, significantly eliminating the dissolution of I2 in the cathode region and stopping the I2 from shutting to anode compartment. Furthermore, our electrochemical investigation suggests that HCM could incur surface pseudo‐capacitive iodine‐ions charge storage and contribute additional energy storage capacity. As a result, the resultant Li‐I2 battery achieves a robust and highly reversible capacity of 224.5 mAh·g−1 at the rate of 10 C. Even under a high rate of 50 C, the remarkable capacity of the as‐prepared Li‐I2 battery can still be maintained at 120.2 mAh·g−1 after 4000 cycles.
Influence of timing and intensity of weed management on crop yield and contribution to weed emergence in cotton the following year
Authors: Hare Andrew T. , Jordan David L. , Leon Ramon G. , Edmisten Keith L. , Post Angela R. , Cahoon Charles W. , Everman Wesley J. , Mahoney Denis J. , Inman Matthew D. 
Published: March 2020

AbstractAdequate weed control is important in protecting crop yield and allowing efficient harvest in North Carolina. Data in the literature are limited with respect to direct comparisons of weed control and yield across multiple crops. Research is also limited in terms of documenting the impact of weed control in one crop on weed populations in the crop planted the following season. Experiments were conducted in North Carolina to determine weed control and yield of corn (Zea mays L.), cotton (Gossypium hirsutum L.), and soybean [Glycine max (L.) Merr.] in the same experiment when herbicides were applied postemergence at different timings (Year 1) and to determine how weed control translated into weed populations and cotton yield the following year (Year 2). Herbicides were applied 2 or 6 wk after planting (WAP); 2 and 4 WAP; 4 and 6 WAP; and 2, 4, and 6 WAP. At Lewiston‐Woodville, common ragweed (Ambrosia artemisiifolia L.) and Texas millet (Urochloa texana L.) were present. At Rocky Mount, Palmer amaranth (Amanthus palmeri S. Wats) and large crabgrass (Digitaria sanguinalis L.) were present. A single postemergence application of herbicide protected yield from weed interference in corn, whereas in most instances multiple herbicide applications were needed in cotton and to a degree in soybean. Weed densities in Year 2 in cotton were negatively correlated with weed control the previous year in corn, cotton, and soybean. Densities of common ragweed and Palmer amaranth 3 WAP in Year 2 were higher in cotton when the preceding crop was cotton or soybean rather than corn when herbicides were not applied; no difference was noted when comparing cotton and soybean. In some instances, sequential applications of herbicides resulted in lower weed densities the following year in cotton. These results demonstrate the importance of timely, sequential herbicide applications for weed control in cotton and soybean and in some instances the positive benefits on weed populations the following year in cotton.
A Sunscreen‐Based Photocage for Carbonyl Groups
Authors: Lineros‐Rosa Mauricio , Miranda Miguel A. , Lhiaubet‐Vallet Virginie 
Published: March 2020

AbstractPhotolabile protecting groups (PPGs) have been exploited in a wide range of chemical and biological applications, due to their ability to provide spatial and temporal control over light‐triggered activation. In this work, we explore the concept of a new photocage compound based on the commercial UVA/UVB filter oxybenzone (OB; 2‐hydroxy‐4‐methoxybenzophenone) for photoprotection and controlled release of carbonyl groups. The point here is that oxybenzone not only acts as a mere PPG, but also provides, once released, UV photoprotection to the carbonyl derivative. This design points to a possible therapeutic approach to reduce the severe photoadverse effects of drugs containing a carbonyl chromophore.
The Influence of Nucleophilic and Redox Pincer Character as well as Alkali Metals on the Capture of Oxygen Substrates: The Case of Chromium(II)
Authors: Labrum Nicholas S. , Curtin Gregory M. , Jakubikova Elena , Caulton Kenneth G. 
Published: March 2020

AbstractDimeric [CrL]2, where L is the conjugate base of bis‐pyrazolyl pyridine, is evaluated for its ability to undergo inner sphere and outer sphere redox chemistry. It reacts with Cp2Fe+ to give [Cr4(HL)4(μ4‐O)]2+, still containing divalent Cr. Reduction (KC8) of [CrL]2 by two electrons gives [K2(THF)3Cr3L3(μ3‐O)], and by four electrons gives [K4(THF)10Cr2L2(μ‐O)], each of which has scavenged (hydr)oxide from glass surface because of the electrophilicity of the underligated Cr. [K4(THF)10Cr2L2(μ‐O)], is shown by comprehensive DFT calculations and analysis of intra‐ligand bond lengths to contain a pyridyl radical L3− and CrII, illustrating that this pincer is proton‐responsive, redox active, and a versatile donor to associated K+ ions here. The K+ electrophiles interact with electron‐rich oxo, but do not significantly (>5 kcal mol−1) alter spin state energies. Inner sphere oxidation of [CrL]2 with a quinone gives [Cr2L2(semiquinone)2], while pre‐reduced [CrL]22− reacts with quinone to give [K3(THF)3Cr2L2(catecholate)2(μ‐OH)], a product of capture of two undercoordinated LCr(catecholate)1− by hydroxide.
Increasing the Affinity of an O‐Antigen Polysaccharide Binding Site in Shigella flexneri Bacteriophage Sf6 Tailspike Protein
Authors: Kunstmann Sonja , Engström Olof , Wehle Marko , Widmalm Göran , Santer Mark , Barbirz Stefanie 
Published: March 2020

AbstractBroad and unspecific use of antibiotics accelerates spread of resistances. Sensitive and robust pathogen detection is thus important for a more targeted application. Bacteriophages contain a large repertoire of pathogen‐binding proteins. These tailspike proteins (TSP) often bind surface glycans and represent a promising design platform for specific pathogen sensors. We analysed bacteriophage Sf6 TSP that recognizes the O‐polysaccharide of dysentery‐causing Shigella flexneri to develop variants with increased sensitivity for sensor applications. Ligand polyrhamnose backbone conformations were obtained from 2D 1H,1H‐trNOESY NMR utilizing methine–methine and methine–methyl correlations. They agreed well with conformations obtained from molecular dynamics (MD), validating the method for further predictions. In a set of mutants, MD predicted ligand flexibilities that were in good correlation with binding strength as confirmed on immobilized S. flexneri O‐polysaccharide (PS) with surface plasmon resonance. In silico approaches combined with rapid screening on PS surfaces hence provide valuable strategies for TSP‐based pathogen sensor design.
Characterization of tetrakis(thiadiazole)porphyrazine metal complexes by magnetic circular dichroism and magnetic circularly polarized luminescence
Authors: Ghidinelli Simone , Abbate Sergio , Mazzeo Giuseppe , Paoloni Lorenzo , Viola Elisa , Ercolani Claudio , Donzello Maria Pia , Longhi Giovanna 
Published: March 2020

AbstractThe magnetic circular dichroism (MCD) spectra of metal complexes of tetrakis(thiadiazole)porphyrazines ([TTDPzM] with M = 2HI, ZnII, MgII(H2O), and CdII) have been recorded in dimethyl formamide solution. Together with the UV–Vis spectra, the MCD spectra provide useful information about the structure and electronic properties of the complexes. The experimental UV–Vis and MCD spectra compare pretty well with DFT calculations of two sorts, based either on the sum‐over‐states (SOS) approach or on the complex polarization propagator approach. They further corroborate the findings and interpretation of MCD spectra of porphyrazines based on the model of Michl for peripheral molecular orbitals. Magnetic circularly polarized luminescence (MCPL) spectra, quite uncommon in the literature, have been recorded for [TTDPzM] (M = 2HI, ZnII, MgII(H2O)).
The relationship between laissez‐faire leadership and burnout: Mediation through work alienation and the moderating role of political skill
Authors: Usman Muhammad , Ali Moazzam , Yousaf Zahid , Anwar Farooq , Waqas Muhammad , Khan Muhammad Aamir Shafique 
Published: March 2020

AbstractWe tested the relationship between laissez‐faire leadership and job burnout and the mediating role of work alienation in this relationship. We also examined the moderating role of political skill in the relationship between laissez‐faire leadership and burnout. Based on time‐lagged (three waves, two months apart) survey data collected from 272 employees in 92 firms operating in China, our results showed that laissez‐faire leadership was positively related to burnout both directly and via work alienation. Moreover, the positive relationship between laissez‐faire leadership and burnout was contingent on political skill, such that the relationship was weak when political skill was high. The study provides useful suggestions to help managers curb employees' feelings of burnout and work alienation.
A semiparametric stochastic mixed effects model for bivariate cyclic longitudinal data
Authors: Ji Kexin , Dubin Joel A. 
Published: March 2020

AbstractWe propose a flexible semiparametric stochastic mixed effects model for bivariate cyclic longitudinal data. The model can handle either single cycle or, more generally, multiple consecutive cycle data. The approach models the mean of responses by parametric fixed effects and a smooth nonparametric function for the underlying time effects, and the relationship across the bivariate responses by a bivariate Gaussian random field and a joint distribution of random effects. The proposed model not only can model complicated individual profiles, but also allows for more flexible within‐subject and between‐response correlations. The fixed effects regression coefficients and the nonparametric time functions are estimated using maximum penalized likelihood, where the resulting estimator for the nonparametric time function is a cubic smoothing spline. The smoothing parameters and variance components are estimated simultaneously using restricted maximum likelihood. Simulation results show that the parameter estimates are close to the true values. The fit of the proposed model on a real bivariate longitudinal dataset of pre‐menopausal women also performs well, both for a single cycle analysis and for a multiple consecutive cycle analysis. The Canadian Journal of Statistics 48: 471–498; 2020 © 2020 Statistical Society of Canada
Estimation of the additive hazards model with interval‐censored data and missing covariates
Authors: Li Huiqiong , Zhang Han , Zhu Liang , Li Ni , Sun Jianguo 
Published: March 2020

AbstractThe additive hazards model is one of the most commonly used regression models in the analysis of failure time data and many methods have been developed for its inference in various situations. However, no established estimation procedure exists when there are covariates with missing values and the observed responses are interval‐censored; both types of complications arise in various settings including demographic, epidemiological, financial, medical and sociological studies. To address this deficiency, we propose several inverse probability weight‐based and reweighting‐based estimation procedures for the situation where covariate values are missing at random. The resulting estimators of regression model parameters are shown to be consistent and asymptotically normal. The numerical results that we report from a simulation study suggest that the proposed methods work well in practical situations. An application to a childhood cancer survival study is provided. The Canadian Journal of Statistics 48: 499–517; 2020 © 2020 Statistical Society of Canada
Partial deconvolution estimation in nonparametric regression
Authors: Shi Jianhong , Bai Xiuqin , Song Weixing 
Published: March 2020

AbstractIn this article, we propose a class of partial deconvolution kernel estimators for the nonparametric regression function when some covariates are measured with error and some are not. The estimation procedure combines the classical kernel methodology and the deconvolution kernel technique. According to whether the measurement error is ordinarily smooth or supersmooth, we establish the optimal local and global convergence rates for these proposed estimators, and the optimal bandwidths are also identified. Furthermore, lower bounds for the convergence rates of all possible estimators for the nonparametric regression functions are developed. It is shown that, in both the super and ordinarily smooth cases, the convergence rates of the proposed partial deconvolution kernel estimators attain the lower bound. The Canadian Journal of Statistics 48: 535–560; 2020 © 2020 Statistical Society of Canada
Myocardial fibrosis in athletes—Current perspective
Authors: Małek Łukasz A. , Bucciarelli‐Ducci Chiara 
Published: March 2020

AbstractSeveral previous studies suggested that prolonged and extensive physical activity might lead to increased prevalence of myocardial fibrosis in athletes. The review summarizes these studies focusing on common patterns of myocardial fibrosis observed in athletes, their potential causes and significance. It also presents recent research on parametric imaging shedding new light on diffuse myocardial fibrosis in athletes. Finally, it reviews how these traditional and novel cardiac magnetic resonance (CMR) techniques can be incorporated in the diagnostic work up to differentiate athlete's heart from cardiomyopathies.
New Insights from Crystallographic Data: Diversity of Structural Motifs and Molecular Recognition Properties between Groups of IDO1 Structures
Authors: Mammoli Andrea , Coletti Alice , Ballarotto Marco , Riccio Alessandra , Carotti Andrea , Grohmann Ursula , Camaioni Emidio , Macchiarulo Antonio 
Published: March 2020

AbstractA large number of crystallographic structures of IDO1 in different ligand‐bound and ‐unbound states have been disclosed over the last decade. Yet, only a few of them have been exploited for structure‐based drug design (SBDD) campaigns. In this study, we analyzed the structural motifs and molecular‐recognition properties of three groups of IDO1 structures: 1) structures containing the heme group and inhibitors in the catalytic site; 2) heme‐free structures of IDO1; 3) substrate‐bound structures of IDO1. The results suggest that unrelated conformations of the enzyme have been solved with different ligand‐induced changes of secondary motifs that localize even in regions remote from the catalytic site. Moreover, the study identified an uncharted region of molecular‐recognition space covered by IDO1 binding sites that could guide the selection of diverse structures for additional SBDD studies aimed at the identification of novel lead compounds with differentiated chemical scaffolds.
Integrated cardiorespiratory system model with short timescale control mechanisms
Authors: Fernandes Luciano G. , Trenhago Paulo R. , Feijóo Raúl A. , Blanco Pablo J. 
Published: March 2020

AbstractA compartmental model of the cardiorespiratory system featuring pulsatile blood flow and gas transport, as well as closed loop mechanisms of cardiorespiratory regulation is presented. Short timescale regulatory action includes baroreflex, peripheral and central chemoreflex feedback. The cardiorespiratory model is composed by compartments to describe blood flow and gas exchange in the major systemic and pulmonic regions. The control systems include formulations to afferent activity of arterial baroreceptor and peripheral and central chemoreceptors. Simulations described here include situations of hypoxia, hypercapnia, and hemorrhage. The overall responses of our simulations agree with physiological (experimental) and theoretical data. Our results suggest that the present model could be used to further understand the interplay among major regulatory mechanisms in the functioning of the cardiovascular and respiratory systems in cases of normal and abnormal physiological conditions.
Self‐Assembly of DNA and RNA Building Blocks Explored by Nitrogen‐14 NMR Crystallography: Structure and Dynamics
Authors: Carnevale Diego , Hollenstein Marcel , Bodenhausen Geoffrey 
Published: March 2020

AbstractThe isotopic enrichment of nucleic acids with nitrogen‐15 is often carried out by solid‐phase synthesis of oligonucleotides using phosphoramidite precursors that are synthetically demanding and expensive. These synthetic challenges, combined with the overlap of chemical shifts, explain the lag of nitrogen‐15 NMR studies of nucleic acids behind those of proteins. For the structural characterization of DNA and RNA‐related systems, new NMR methods that exploit the naturally occurring 99.9 % abundant nitrogen‐14 isotope are therefore highly desirable. In this study, we have investigated nitrogen‐14 spectra of self‐assembled quartets based on the nucleobase guanine in the solid state by means of magic‐angle spinning NMR spectroscopy. The network of dipolar proton–nitrogen couplings between neighboring stacked purine units is probed by 2D spectra based on 1H→14N→1H double cross‐polarization. Interplane dipolar contacts are identified between the stacked G quartets. The assignment is supported by density functional theory (DFT) calculations of the anisotropic chemical shifts and quadrupolar parameters. The experimental spectra are fully consistent with internuclear distances obtained in silico. Averaging of chemical shifts due to internal motions can be interpreted by semiempirical calculations. This method can easily be extended to synthetic G quartets based on nucleobase or nucleoside analogs and potentially to oligonucleotides.
Are mandatory non‐financial disclosures credible? Evidence from Italian listed companies
Authors: Mazzotta Romilda , Bronzetti Giovanni , Veltri Stefania 
Published: March 2020

AbstractAccording to the Directive 2014/95/EU on non‐financial information (NFI), from 2017 onwards, large companies of member states must provide social, environmental, and governance disclosures. This paper, focusing on the evaluation of the credibility of NFI in Italy after the implementation of the EU Directive, aims to investigate whether making non‐financial disclosures (NFDs) obligatory affect their credibility. From a theoretical perspective of material legitimacy theory, we investigated the NFDs of the 31 FTSE MIB Italian listed companies for the 2017 fiscal year. Through a meaning‐oriented content analysis, we developed a self‐constructed credibility index applying an operational framework based on the Habermas idealism. Our framework conceives credibility as a multidimensional construct, constituted of three sub‐dimensions: truth, sincerity and appropriateness, and understandability. Our findings show that the NFDs of Italian FTSE MIB companies tend to be credible, contributing to widen the empirical researches addressed to investigate the credibility of NFDs in mandatory contexts.
Radiofrequency microneedling for acne, acne scars, and more
Authors: Kesty Katarina , Goldberg David J. 
Published: March 2020

AbstractBackgroundWe have employed radiofrequency microneedling devices in our practice with favorable patient results. Rejuvenation, acne, acne scars, and skin laxity are the most common concerns that we treat with radiofrequency microneedling devices. Patient selection, preparation, and post‐procedure follow up can improve clinical outcomes and safety while increasing patient satisfaction.AimsThe purpose of this review is to highlight radiofrequency microneedling methods and present our clinical experience.Materials and MethodsArticles from PubMed are highlighted and our clinical experience is presented.ResultsRadiofrequency microneedling is a safe and effective treatment for acne scars, hyperhidrosis, rosacea, skin laxity and skin rejuvenation and is a key device for any cosmetic dermatologist.DiscussionDermatologists should consider adding radiofrequency microneedling devices to their treatments offered to patients for a variety of indications.
Using a Principles‐Focused Evaluation Approach to Evaluate Coalitions and Collaboratives Working Toward Equity and Social Justice
Authors: Wolfe Susan M. , Long Pamela D. , Brown Kyrah K. 
Published: March 2020

AbstractIn this chapter, the authors describe the relevance and importance of principles for collaborative evaluation work addressing inequities and social injustice. They provide a brief introduction to Principles‐Focused Evaluation and describe Principles for Collaborating for Equity and Justice to provide a rational for using the Principles‐Focused Evaluation approach when evaluating collaboratives addressing inequities. They describe useful strategies for incorporating Principles‐Focused Evaluation into evaluation of such collaboratives, demonstrate how to apply it to other evaluation approaches and models, and provide a case study of an evaluation that incorporated the Principles‐Focused Evaluation approach with Community Coalition Action Theory.
Optimizing water and phosphorus management to improve hay yield and water‐ and phosphorus‐use efficiency in alfalfa under drip irrigation
Authors: Zhang Qianbing , Liu Junying , Liu Xuanshuai , Li Shengyi , Sun Yanliang , Lu Weihua , Ma Chunhui 
Published: March 2020

AbstractAlfalfa (Medicago sativa L.) is an important forage legume in arid areas, but limited water resources and low fertilizer utilization have restricted its agricultural development. Meanwhile, studies on the effects of integrated water and phosphorus on production performance and water‐use efficiency and phosphorus‐use efficiency of alfalfa, especially on hay yield, phosphorus accumulation, and total phosphorus uptake are rarely reported under drip irrigation. The treatments were a factorial combination of three irrigation rates (5,250, 6,000, and 6,750 m3/ha per year) and four P rates (0, 50, 100, and 150 kg/ha per year) and consisted of 12 treatments for water and P management, arranged in a randomized complete block design with three replicates. Total hay yield and water‐use efficiency and phosphorus‐use efficiency of alfalfa in P2 treatment were significantly greater than those in the P1 and P3 treatments (p < .05), and the total hay yield of alfalfa with phosphorus application increased by 7.43%–29.87% compared with that in the nonphosphorus (P0) treatment under the same irrigation amount. The total phosphorus and available phosphorus concentrations in the 0–20 cm soil layer were greater than those in the 20–40 cm and 40–60 cm soil layers compared with those in the P0 treatment. Correlation analyses showed that total hay yield was significantly positively correlated with total phosphorus uptake and water‐use efficiency (p < .01). The accumulated phosphorus concentration was significantly positively correlated with total phosphorus and available phosphorus concentration (p < .01) and was positively correlated with the phosphorus‐use efficiency (p < .05). The membership function method was used to evaluate all the indicators, and the three treatments that had the greatest influence on the production performance of alfalfa were, in order, W2P2 > W3P2 > W1P2. Therefore, an irrigation rate of 6,000 m3/ha and a phosphorus application rate of 100 kg/ha per year should be considered as the best management for both high yield and water‐use efficiency and phosphorus‐use efficiency of alfalfa.