bluuebunny/crossref_metadata_2025_split huggingface dataset:
DFT Study on the Gold(I)‐Catalyzed Dehydrogenative Heterocyclization of 2‐(1‐Alkynyl)‐2‐alken‐1‐ones to form 2,3‐Furan‐Fused Carbocycles: Effects of Additives C5H5NO vs. PhNO
Authors: Yuan Binfang , Chen Jinyang , Wang Guangzhao , Zhang Fulan , Fang Luqiu , Guo Xiaogang , Huang Huisheng , He Rongxing 
Published: January 2020

AbstractA computational study with the M06/B3LYP density functional is carried out to explore the effects of additives C5H5NO vs. PhNO on the gold‐catalyzed dehydrogenative heterocyclization of 2‐(1‐alkynyl)‐2‐alken‐1‐ones to form 2,3‐furan‐fused carbocycles. The following three conclusions are obtained based on our theoretical calculations. (a) The Au(I) catalyst plays a crucial role on the intramolecular cyclization reaction. (b) Both additives C5H5NO and PhNO as the proton shuttle can assist proton‐transfer through a two‐step proton‐transfer mechanism including the protonation of additive and the deprotonation of additive‐H+, whereas the catalytic capability of PhNO is weaker than that of C5H5NO (energy barrier: 90.6 vs. 33.2 kJ/mol). (c) C5H5NO‐H+ has stronger stability comparing with PhNO‐H+ because the basicity of C5H5NO is stronger than that of PhNO, which cause that the energy barrier of ts3 + PhNO‐H+ (131.5 kJ/mol) is higher than that of ts3 + C5H5NO‐H+ (60.5 kJ/mol) in the intermolecular addition. Therefore, the base strength is the primary factor that controls the catalytic capability of additives C5H5NO vs. PhNO. These studies are expected to improve our understanding of Au(I)‐catalyzed reactions involving additive as the cocatalyst and to provide guidance for the future design of new catalysts and new reactions.
Synthesis of putrescine‐imprinted double‐layer nanofiber membrane by electrospinning for the selective recognition of putrescine
Authors: Ying Xiaoguang , Huang Min , Li Xiao 
Published: January 2020

ABSTRACTIn this work, we have developed a double‐layer nanofiber membrane (NFM) with high selectivity based on molecular imprinting technique by electrospinning methods and applied it in recognizing putrescine. Poly(vinyl alcohol) (PVA) was used as spinning solution, 1,4‐butylene glycol as the imitate template, and ninhydrin as chromogenic agent. The adsorption of the putrescine is corresponded to purple‐color stains on the NFM, which is digitizing intuitively by the ImageJ software. By quantifying the gray value of the stains on the NFM, its imprinting efficiency (IE) is estimated. The adsorption performance of the double‐layer molecular imprinted NFM was studied in detail, showing higher adsorption capacity (71.912 mg mL−1), shorter adsorption equilibrium time of 40 min and higher selectivity to putrescine than our previous works. Furthermore, the material showed remarkable selectivity for putrescine with respect to other three kinds of aliphatic amine in similar molecular structure. The selectivity coefficient (α) of putrescine against cadaverine, spermine, and spermidine are calculated to be 1.734, 2.224, and 2.576, respectively. In addition, since PVA is a water‐soluble material, the NFM is not reusable. © 2020 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48932.
Autonomous Discovery of Materials for Intercalation Electrodes
Authors: Bölle Felix T. , Mathiesen Nicolai R. , Nielsen Alexander J. , Vegge Tejs , Garcia‐Lastra Juan Maria , Castelli Ivano E. 
Published: January 2020

AbstractThe development of automated computational tools is required to accelerate the discovery of novel battery materials. In this work, we design and implement a workflow, in the framework of Density Functional Theory, which autonomously identifies materials to be used as intercalation electrodes in batteries, based on descriptors like adsorption energies and diffusion barriers. A substantial acceleration for the calculations of the kinetic properties is obtained due to a recent implementation of the Nudged Elastic Bands (NEB) method, which takes into consideration the symmetries of the system to reduce the number of images to calculate. We have applied this workflow to discover new cathode materials for Mg batteries, where two of these materials display a threefold increase in the potential of the Chevrel phase, the state‐of‐the‐art cathode in commercial prototype Mg batteries.
Roles of cognitive load and self‐relevance during emotional information searching on decision‐making
Authors: Li Meijia , Peng Huamao , Ji Lingling 
Published: January 2020

AbstractOlder adults have been found to favor positive stimuli over negative stimuli; further, developing a negative preference may be a cognitively demanding process. In the present study, we focused on the joint effects task self‐relevance and cognitive load have on older adults' emotional information preferences when performing decision‐making. To examine this, we used multi‐attribute decision tasks and process‐tracing procedure to measure their searching process. The study composed of a 2 (age: young/old) × 2 (cognitive load: load/non‐load) × 3 (attribute valence: positive/neutral/negative) × 3 (task self‐relevance: high/medium/low) mixed design. Sixty‐one young adults and 62 older adults viewed 5 (alternatives) × 5 (attributes) decision matrices that contained positive, negative, and neutral information, with the total views and mean time spent viewing each different valence (positive, negative, and neutral information) set as dependent variables. The results indicated that both young and old adults have no emotional information preference in regard to self‐relevance. When under no cognitive load, both positive and negative information were viewed more than neutral information; however, under cognitive load, preference for negative information decreased; this effect size was more robust in older adults. There was also a main effect of self‐relevance on total views and mean checking time, with attributes concerning higher self‐relevance tasks being more likely to attract attention. Older adults exhibited a consistent hedonic focus, even in highly self‐relevant contexts; however, this effect disappeared under cognitive load. Overall, the findings suggest that cognitive resources play an important role in emotional information processing during decision processes.
Preference or ability: Exploring the relations between risk preference, personality, and cognitive abilities
Authors: Millroth Philip , Juslin Peter , Winman Anders , Nilsson Håkan , Lindskog Marcus 
Published: January 2020

AbstractKey issues in the behavioral sciences are if there exist stable risk preferences that generalize across domains and if these are best measured by revealed risk preference (RRP) in behavioral decision tasks or by surveys eliciting stated risk preference (SRP). We applied network analysis to data from a representative Swedish sample to investigate the relations between RRP, SRP, personality characteristics, and cognitive abilities, using in total over 70 measurements. The results showed that different measures of RRP were poorly intercorrelated and formed a community together with measures of numerical and cognitive abilities. Measures of SRP were weakly correlated with measures of RRP and identified in a distinctly separate community, along with personality characteristics and gender. The ensuing analyses provided support for a model suggesting that RRPs are contaminated by demands on numerical and cognitive abilities. RRPs may thus suffer from poor construct validity, whereas SRPs may better capture people's everyday risk preferences because they are related to more stable traits.
Role of Li+ ions on the surface morphology and thermoluminescence properties of Y2O3:Tm3+ nanophosphor
Authors: Shivaramu N.J. , Coetsee E. , Swart H.C. 
Published: January 2020

AbstractY2O3:Tm3+ and Li+ co‐doped Y2O3:Tm3+ nanopowders were synthesized using the solution combustion method for possible application in ultraviolet (UV) light dosimetry. X‐ray diffraction revealed the crystallite sizes to be in the range 21–44 nm and 30–121 nm using the Scherrer equation and the W‐H plot relationship, respectively. Field emission scanning electron microscopy confirmed that, after co‐doping with 4 mol% concentration of Li+, the particles were spherical in nature with an average size of ~30 nm. Fourier transformed infrared spectroscopy results showed bands at wavenumbers of 556, 1499, 1704, 2342, 2358, 2973, 3433, and 3610 cm−1 that corresponded to the stretching and bending vibrations of Y–O, C=O and O–H. Thermoluminescence (TL) glow peaks for Y2O3:Tm3+ nanophosphors observed at 399 and 590 K were attributed to oxygen defects caused using UV irradiation. These oxygen defects firstly resulted in an increased prominent peak TL intensity for up to 270 min of irradiation and then a decrease. This was attributed to the presence of oxygen defect clusters that caused a reduction in recombination centres. The Li+ co‐doped sample showed peaks at 356, 430, and 583 K and its intensity sublinearly increased up to 90 min and then thereafter decreased. The TL trapping parameters were calculated using computerized glow curve deconvolution methods. The Li+ co‐doped sample exhibited less fading and high trap density under the UV radiation.
Comparison of different protocols of Morris water maze in cognitive impairment with heart failure
Authors: Lu Ziwen , Yang Tao , Wang Lei , Qiu Qi , Zhao Yizhou , Wu Aiming , Li Tong , Cheng Wenkun , Wang Baofu , Li Yang , Yang Jingjing , Zhao Mingjing 
Published: January 2020

AbstractAimThis study aimed to find a more sensitive and systematic behavioral evaluation protocol to evaluate the cognitive impairment in rats with heart failure (HF).Methods and resultsAn HF rat model was built by ligating the left anterior descending coronary artery. The cardiac function and structure were detected using echocardiography. Myocardial histopathological changes were observed by nitro blue tetrazolium and hematoxylin–eosin staining. The cognitive functions were evaluated using the acquisition task, probe trial, reversal test, and matching‐to‐sample test of the Morris water maze. In the probe trial, the number of times the rats in the model group crossed the platform site significantly decreased compared with that in the sham group. In the reversal test, the average latency was significantly longer in the sham group compared with the model group in the first trial but was shorter in the second and third trials. In the matching‐to‐sample test, the average latency of Trial1 increased significantly in the model group compared with the sham group, while no obvious difference was observed in Trial2. Therefore, the difference in the average latency between Trial1 and Trial2 of the model group was significantly larger.ConclusionsThe cognitive impairment in rats with HF mainly reflected in the long‐term and working memory, spatial learning, and reversal learning ability. The probe trial and reversal test in the water maze may be more sensitive and preferred to evaluate cognitive function after HF. These findings would provide a brief evaluation protocol for further studies on the relationship between cognitive function and HF.
Operation spinal cord regeneration: Patterning information residing in extracellular matrix glycosaminoglycans
Authors: Lu Alexander , Baker‐Nigh Alaina , Sun Peng 
Published: January 2020

AbstractIntroductionSpinal cord injuries are devastating, with many complications beyond paralysis and loss of sensory function. Although spinal cord regeneration can revolutionize treatment for spinal cord injuries, the goal has not yet been achieved. The regenerative mechanism of axolotls demonstrates that the regeneration is a repeat of developmental process that all animals have all the genes, but axolotls have both the genes and the patterning information to do it at the adult stage.MethodsA narrative review was conducted. Relevant studies were collected via an English‐language PubMed database search and those known to the authors.ResultsResearch during the past 30 years reveals that growth factors, along with spinal cord extracellular matrix, especially glycosaminoglycans, regulates axonal regrowth. Degrading chondroitin sulfate glycosaminoglycans by injecting the bacterial enzyme chondroitinase improves axonal sprouting and functional recovery after spinal cord injury in both rodents and rhesus monkeys. Furthermore, the brain is one of the first organs to develop during the embryonic period, and heparan sulfate glycosaminoglycans are key molecules required for brain development.ConclusionsPatterning information residing in glycosaminoglycans might be key elements in restricting spinal cord regeneration. A recommended solution is not to edit the human genome, considering the conserved signaling pathways between animals, but to take advantage of the regenerative mechanism of axolotls and the current knowledge about the pattern‐forming glycosaminoglycans for successful spinal cord regeneration and clinical applications.
Accepting Muslim minority practices: A case of discriminatory or normative intolerance?
Authors: Sleijpen Sander , Verkuyten Maykel , Adelman Levi 
Published: January 2020

AbstractWest European societies have seen strong debates about the acceptance of Muslim minority practices. In the current research we sought to better understand intolerance by examining whether people use a double standard in which the same practices are tolerated of Christians but not of Muslims (discriminatory intolerance), or rather reject the practices independently of the religious minority group because these are considered to contradict society's normative ways of life (normative intolerance). The results of two survey‐embedded experiments among native Dutch were most in agreement with an interpretation in terms of normative intolerance rather than discriminatory intolerance. This suggests that the rejection of Muslim practices has less to do with Muslims per se but rather with the perceived normative deviance of the practices, independently of the religious minority group. These findings broaden the research on anti‐Muslim sentiments and thereby the debate on the place of Islam within Western liberal societies.
Three‐year follow up of biodegradable polymer cobalt‐chromium sirolimus‐eluting stent (EXCROSSAL) in treating de novo coronary artery disease: Pooled analysis of CREDIT II and CREDIT III trials
Authors: Wang Geng , Ma Genshan , Tao Ling , Yuan Zuyi , Liu Huiliang , Hu Xinqun , Tong Qian , Yu Zaixin , Zhou Xuchen , Han Yaling 
Published: January 2020

AbstractObjectivesTo analyze the 3‐year outcomes of the biodegradable polymer cobalt‐chromium sirolimus‐eluting stent (EXCROSSAL) in CREDIT II AND III TRIALS.BackgroundThough approved by CFDA, the long‐term safety and efficacy of EXCROSSAL is still unknown.MethodsCREDIT II was a randomized trial comparing the EXCROSSAL versus EXCEL stents in patients with up to two de novo coronary lesions, and CREDIT III was a prospective, single‐arm study evaluating the efficacy and safety of EXCROSSAL in broad types of de novo coronary artery lesions. We pooled the 3‐year follow‐up data of the EXCROSSAL arm of the CREDIT II and CREDIT III Trials. The primary outcome was 3‐year target lesion failure (TLF), a composite of cardiac death, target vessel myocardial infarction (TV‐MI), and clinically indicated target lesion revascularization (CI‐TLR). The patient‐oriented composite endpoint (PoCE) (all‐cause death, all MI, or any revascularization) and stent thrombosis (ST) were also analyzed.ResultsA total of 833 patients were included in this study. The incidence of TLF and PoCE in the 3‐year follow‐up were 7.6% and 12.5%, respectively. ST occurred in 0.6% of patients. In the subgroup analyses, TLF was significantly higher in small target vessels, multi‐lesion PCI, and multi‐vessel disease.ConclusionsThe 3‐year follow‐up analysis confirmed low rates of TLF and ST in EXCROSSAL, which is similar to the most widely used new generation durable polymer drug‐eluting stent.
Activity and Structural Changes of Fe‐based Catalysts during CO2 Hydrogenation towards CH4 – A Mini Review
Authors: Kirchner Johann , Baysal Zeynep , Kureti Sven 
Published: January 2020

AbstractHeterogeneous iron catalysts are active in the hydrogenation of carbon oxides and are widely investigated for the production of long‐chained hydrocarbons according to the Fischer‐Tropsch synthesis. Moreover, high selectivity of light hydrocarbons, such as CH4, also occurs strongly depending on reaction conditions and catalyst formulations. As a consequence, Fe catalysts reveal promising methanation activity as referred to the traditional Ni catalysts. Additionally, Fe catalysts also benefit from their low price and toxicological harmlessness. However, the dynamic behavior of iron upon CO2 hydrogenation is not yet unraveled unambiguously including phase transformations, structural changes and participation of carbon species formed. The present review highlights these complex processes of Fe catalysts with special focus on the methanation of CO2. Additionally, different analytical tools useful for ex situ and in situ studies are critically evaluated.
Universality in Oxygen Evolution Electrocatalysis: High‐Throughput Screening and a Priori Determination of the Rate‐Determining Reaction Step
Authors: Exner Kai S. 
Published: January 2020

AbstractMaterial screening is commonly based on the assessment of linear scaling relations that translate to a Volcano curve in order to identify promising electrode materials, situated at the apex of the Volcano. Recently, an advanced material‐screening approach, entitled ESSI‐descriptor activity maps, has been introduced by the author. This methodology goes beyond the thermodynamic framework of Volcano plots, as the concept of ESSI‐descriptor activity maps evaluates, besides binding energies, the kinetics, applied overpotential, and catalytic symmetry in terms of the electrochemical‐step symmetry index (ESSI). Herein, the concept of ESSI‐descriptor activity maps is exerted to the oxygen evolution reaction (OER) to derive universal relationships. In contrast to the common procedure in the literature, a suitable range of values for the linear scaling relation's offset is a priori included in the presented model, which enables high‐throughput screening of OER catalysts and determination of the rate‐determining reaction step (rds) at overpotentials corresponding to typical reaction conditions (ηOER=0.40 V).
N‐Doped Carbon Nanotubes Encapsulating Ni/MoN Heterostructures Grown on Carbon Cloth for Overall Water Splitting
Authors: Wang Pan , Qi Ji , Li Chuang , Chen Xiao , Wang Tonghua , Liang Changhai 
Published: January 2020

AbstractHerein, we reported a new strategy to grow N‐doped carbon nanotubes encapsulating Ni/MoN heterostructures on carbon cloth (Ni/MoN@NCNT/CC). The high intrinsic activity in the interface engineering of the Ni/MoN heterostructures, the high conductivity and protection of NCNT, and the three‐dimensional structure of the Ni/MoN@NCNT/CC contribute to its outstanding activity and stability for HER (overpotential of 207 mV at 10 mA cm−2) and OER (overpotential of 252 mV at 10 mA cm−2). Particularly, for HER, it can maintain a consistent potential at 100 mA cm−2 for 100 h. Besides, for OER the generated surface roughness and larger surface area can enhance OER activity of the catalyst. When used as a bifunctional electrocatalyst for overall water splitting, it can achieve a current density of 10 mA cm−2 at a cell voltage of 1.699 V with excellent durability. This work provides a new strategy to fabricate three‐dimensional heterostructured water‐splitting electrocatalysts with large surface area.
The influence of compact and ordered carbon coating on solid‐state behaviors of silicon during electrochemical processes
Authors: Zhou Shuo , Fang Chen , Song Xiangyun , Liu Gao 
Published: January 2020

AbstractTo address the issues of large volume change and low conductivity of silicon (Si) materials, carbon coatings have been widely employed as surface protection agent and conductive medium to encapsulate the Si materials, which can improve the electrochemical performance of Si‐based electrodes. There has been a strong demand to gain a deeper understanding of the impact of efficient carbon coating over the lithiation and delithiation process of Si materials. Here, we report the first observation of the extended two‐phase transformation of carbon‐coated Si nanoparticles (Si/C) during electrochemical processes. The Si/C nanoparticles were prepared by sintering Si nanoparticles with polyvinylidene chloride precursor. The Si/C electrode underwent a two‐phase transition during the first 20 cycles at 0.2 C, but started to engage in solid solution reaction when the ordered compact carbon coating began to crack. Under higher current density conditions, the electrode was also found to be involved in solid solution reaction, which, however, was due to the overwhelming demand of kinetic property rather than the breaking of the carbon coating. In comparison, the Si/C composites prepared with sucrose possessed more disordered and porous carbon structures, and presented solid solution reaction throughout the entire cycling process.
Kentucky bluegrass growth under saline, waterlogging, and saline‐waterlogging conditions during germination and seedling growth
Authors: Rue Kevin , Zhang Qi 
Published: January 2020

AbstractSalinity and waterlogging, two major problems in turfgrass management, often co‐occur in nature; however, information on the response of turfgrass to the combined salinity‐waterlogging stress is limited. The objective of this study was to determine growth response of nine Kentucky bluegrass (Poa pratensis L.) cultivars to the control (i.e., non‐stress), salinity, waterlogging, and the combined salinity‐waterlogging stress during the germination and seedling stage (six weeks) in pots in a greenhouse. Data including shoot and root dry weight, root‐to‐shoot dry weight ratio, root length, and specific root length were analyzed. Salinity‐waterlogging reduced dry weight of both shoots (556.1 mg) and roots (269.4 mg) compared with the controls (1295.1 and 686.7 mg) (P < .0001). The control plants had a root‐to‐shoot dry weight ratio of 52.9%, higher than the salinity‐treated ones (44.1%) (P = .0017). Root length was higher in the control and waterlogged plants than salinity and salinity‐waterlogged plants. Saline‐waterlogged and control plants had the highest and lowest specific root length, respectively. Among the Kentucky bluegrass cultivars, Sudden Impact, Award, Limousine, and Kenblue had higher tissue biomass, followed by America, Legend, and Arrowhead, whereas Moonlight and Blue Note performed poorly. Blue Note had a higher specific root length than all other grasses, except Moonlight. It may be a better management practice to use cultivars such as Sudden Impact, Award, Limousine, and Kenblue, which appear from this research to be relatively tolerant to salinity/waterlogging stress, when establishing a new turf surface under the aforementioned stresses.