bluuebunny/crossref_metadata_2025_split huggingface dataset:
Superior Piezoelectricity in Bismuth Titanate‐Based Lead‐Free High‐Temperature Piezoceramics via Domain Engineering
Authors: Xie Xinchun , Zhou Zhiyong , Liang Ruihong , Dong Xianlin 
Published: March 2022

AbstractHigh‐temperature piezoelectric materials are widely needed in electromechanical sensors, actuators, and transducers that are exposed to high‐temperature conditions. Bismuth layer‐structured bismuth titanate (Bi4Ti3O12, BIT) ferroelectrics have a high Curie temperature of 675 °C but suffer from poor electrical properties, especially the piezoelectricity. Here, a giant piezoelectric coefficient d33 of 40.2 pC N−1 is obtained in the Bi3.97Ce0.03Ti2.98(WNb)0.01O12 ceramics with a high Curie temperature of 657 °C, the highest value reported to date in BIT‐based piezoceramics. Electrical property and microstructural analysis reveal that the high piezoelectricity benefits from the preferential orientation of ferroelectric domains, the irreversibility of ferroelectric domain reorientation, and the high density of ferroelectric domain walls. Besides, excellent thermal stability of piezoelectric constant (d33 = 36.7 pC N−1 at 500 °C, <10% variations in the range of room temperature to 500 °C), high electrical resistivity (ρ > 107 Ω cm at 500 °C), and low loss (tanδ < 1.5% at 500 °C) are also obtained in the Bi3.97Ce0.03Ti2.98(WNb)0.01O12 ceramics. This work not only penetrates the origins of outstanding piezoelectricity of BIT‐based ceramics but also offers prospects for brand‐new tactics to exploit high‐performance high‐temperature piezoceramics.
Over‐Potential Tailored Thin and Dense Lithium Carbonate Growth in Solid Electrolyte Interphase for Advanced Lithium Ion Batteries
Authors: Qin Nan , Jin Liming , Lu Yanyan , Wu Qiang , Zheng Junsheng , Zhang Cunman , Chen Zonghai , Zheng Jim P. 
Published: March 2022

AbstractA stable solid electrolyte interphase (SEI) is highly desired to prevent parasitic reactions during normal operation of lithium‐ion batteries (LIBs). Lithium carbonate (Li2CO3) is one of the most significant components for smooth SEI passivation layers; while the formation mechanism and special distribution of the Li2CO3 layer has not yet been illustrated. Here, an over‐potential tailored Li2CO3 growth mechanism based on the typical hard carbon anode is demonstrated. With an increase in the over‐potential, the size of Li2CO3 decreases gradually as the amount increases. When the over‐potential is large (potential at 0.01 V), a Li2CO3‐rich thin and dense inorganic layer with the average thickness of 4.4 nm in the SEI is constructed. The special SEI the completely wraps the boundaries of the anode enables a larger Li‐ion de‐solvation energy barrier and a lower Li‐ion diffusion energy barrier, which supports low self‐discharge behavior and a fast kinetic rate at the anode. More generally, this Li2CO3 growth mechanism is also applicable to commercialized graphite anodes and similar results are also obtained. Therefore, this work provides a new insight into the Li2CO3 growth mechanism in SEIs, as well as a guideline for the design of stable artificial SEIs.
Reaction rate enhancement of three‐phase hydrogenation using the Taylor flow reactor
Authors: Horie Takafumi , Hirai Kenta , Kumagai Norihisa , Taniya Keita , Ichihashi Yuichi , Ohmura Naoto , Matsuda Keigo , Matsumoto Hideyuki , Sakurai Makoto , Watabe Yoshihide 
Published: March 2022

AbstractA gas–liquid–solid three‐phase reaction was conducted in a Taylor flow reactor to improve the apparent reaction rate by enhancing the mass transfer rate of the gas component to the surface of the solid catalyst through the liquid. Hydrogenation of α‐methyl styrene (AMS) was the model reaction. The reactor was an aluminum tube with a length of 300 mm and an inner diameter of 4 mm. A thin alumina layer was formed on the inner wall and palladium was used as the catalyst. Hydrogen and AMS were introduced into a T‐joint installed at the upper stream of the reactor to form a gas–liquid Taylor flow. The AMS conversion obtained using the Taylor flow was higher than that obtained without the flow. To examine the effect of the hydrogen absorption promotion by the circulating flow in the AMS slug, the total flow rate of the reactants was varied whereas the length of the gas and liquid slugs was maintained. Although the absorption increased owing to the faster surface renewal, only a slight improvement was observed. Conversely, when the total flow rate was fixed and the ratio of the gas slug length to the liquid slug length was increased, the apparent reaction rate improved significantly. These results indicate that diffusion in the thin liquid film directly toward the solid catalyst on the reactor wall was dominant for enhancing the reaction rate.
Topochemical Postulates: Are They Relevant for Topochemical Reactions Occurring at Elevated Temperatures?
Authors: Ravi Arthi , Hassan Syed Zahid , Bhandary Subhrajyoti , Sureshan Kana M. 
Published: March 2022

AbstractA rigid inositol‐derived monomer functionalized with azide and alkyne as the complementary reactive groups (CRGs) crystallized as three distinct polymorphsI–III. Despite the unsuitable orientation of CRGs in the crystals for complete polymerization, all the three polymorphs underwent regiospecific and quantitative topochemical azide–alkyne cycloaddition (TAAC) polymerization upon heating to yield three different polymorphs of 1,2,3‐triazol‐1,4‐diyl‐linked‐poly‐neo‐inositol. The molecules in these polymorphs exploit the weak intermolecular interactions, free space in the crystal lattice, and heat energy for their large and cooperative molecular motion to attain a transient reactive orientation, ultimately leading to the regiospecific TAAC reaction yielding distinct crystalline polymers. This study cautions that the overreliance on topochemical postulates for the prediction of topochemical reactivity at high temperatures could be misleading.
Characterization of cultivable intestinal microbiota in Rhynchophorus palmarum Linnaeus (Coleoptera: Curculionidae) and determination of its cellulolytic activity
Authors: Calumby Rodrigo J. N. , de Almeida Lara M. , de Barros Yasmin N. , Segura Wilson D. , Barbosa Valcilaine T. , da Silva Antonio T. , Dornelas Camila B. , Alvino Valter , Grillo Luciano A. M. 
Published: March 2022

AbstractRhynchophorus palmarum Linnaeus is an agricultural pest that affects various palm crops, including coconut (Cocos nucifera) plantations which are prominent in the economy of Northeastern Brazil. Characterization of the intestinal microbiota of R. palmarum, as well as elucidation of aspects related to the biochemistry and physiology of the insect's digestion, is essential for intervention in specific metabolic processes as a form of pest control. Thus, this study aimed to characterize the intestinal microbiota of R. palmarum and investigate its ability to degrade cellulosic substrates, to explore new biological control measures. Intestinal dissection of eight adult R. palmarum insects was performed in a laminar flow chamber, and the intestines were homogenized in sterile phosphate‐buffered saline solution. Subsequently, serial dilution aliquots of these solutions were spread on nutritive agar plates for the isolation of bacteria and fungi. The microorganisms were identified by matrix‐assisted laser desorption/ionization with a time‐of‐flight mass spectrometry and evaluated for their ability to degrade cellulose. Fourteen bacterial genera (Acinetobacter, Alcaligenes, Arthrobacter, Bacillus, Citrobacter, Enterococcus, Kerstersia, Lactococcus, Micrococcus, Proteus, Providencia, Pseudomonas, Serratia, and Staphylococcus) and two fungal genera (Candida and Saccharomyces)—assigned to the Firmicutes, Actinobacteria, Proteobacteria, and Ascomycota phyla—were identified. The cellulolytic activity was exhibited by six bacterial and one fungal species; of these, Bacillus cereus demonstrated the highest enzyme synthesis (enzymatic index = 4.6). This is the first study characterizing the R. palmarum intestinal microbiota, opening new perspectives for the development of strategies for the biological control of this insect.
Promoting Dry Reforming of Methane Catalysed by Atomically‐Dispersed Ni over Ceria‐Upgraded Boron Nitride
Authors: Li Xiaoxu , Phornphimon Maitarad , Zhang Xiaoyu , Deng Jiang , Zhang Dengsong 
Published: March 2022

AbstractDry reforming of methane (DRM) is a very promising protocol to mitigate the greenhouse gases by making use of CO2and CH4to produce valuable syngas. Ni‐based catalysts exhibit high activity and low cost for DRM, but suffer from inferior stability because of serious carbon deposition. Herein, we proposed atomically dispersed Ni supported by ceria‐upgraded boron nitride whose specific activity exceeds that of boron nitride‐supported Ni by 3 times. The results of temperature‐programmed surface reaction show ceria enhanced the adsorption of CO2and its surface‐active oxygen species would contribute to the activation of CH4. Moreover, Ni exhibited a strong metal‐support interaction which suppressed the metal sintering during the DRM reaction while the incorporation of BN could suppress carbon deposition. The incorporation of active metal oxides into inert support provides a route to adjust the interaction between metal and support, and to achieve a synergistic improvement in catalytic performance.
Carving the Active Site of CYP153A7 Monooxygenase for Improving Terminal Hydroxylation of Medium‐Chain Fatty Acids
Authors: Dong Ya‐Li , Chong Gang‐Gang , Li Chun‐Xiu , Chen Qi , Pan Jiang , Li Ai‐Tao , Xu Jian‐He 
Published: March 2022

AbstractThe P450‐mediated terminal hydroxylation of non‐activated C−H bonds is a chemically challenging reaction. CYP153A7 monooxygenase, discovered in Sphingomonas sp. HXN200, belongs to the CYP153A subfamily and shows a pronounced terminal selectivity. Herein, we report the significantly improved terminal hydroxylation activity of CYP153A7 by redesign of the substrate binding pocket based on molecular docking of CYP153A7−C8:0 and sequence alignments. Some of the resultant single mutants were advantageous over the wild‐type enzyme with higher reaction rates, achieving a complete conversion of n‐octanoic acid (C8:0, 1 mM) in a shorter time period. Especially, a single‐mutation variant, D258E, showed 3.8‐fold higher catalytic efficiency than the wild type toward the terminal hydroxylation of medium‐chain fatty acid C8:0 to the high value‐added product 8‐hydroxyoctanoic acid.
The duration of beta‐blocker therapy and outcomes in patients without heart failure or left ventricular systolic dysfunction after acute myocardial infarction: A multicenter prospective cohort study
Authors: Wen Xue‐Song , Luo Rui , Liu Jie , Liu Zhi‐Qiang , Zhang Han‐Wen , Hu Wei‐Wei , Duan Qin , Qin Shu , Xiao Jun , Zhang Dong‐Ying 
Published: March 2022

AbstractBackgroundThe duration of beta‐blocker therapy in patients without heart failure (HF) or left ventricular systolic dysfunction after acute myocardial infarction (AMI) is unclear.HypothesisContinuous beta‐blocker therapy is associated with an improved prognosis.MethodsThis is a prospective, multicenter, cohort study. One thousand four hundred and eighty‐three patients eventually met the inclusion criteria. The study groups included the continuous beta‐blocker therapy group (lasted ≥6 months) and the discontinuous beta‐blocker therapy group (consisting of the no‐beta‐blocker therapy group and the beta‐blocker therapy <6 months group). The inverse probability treatment weighting was used to control confounding factors. The study tried to learn the role of continuous beta‐blocker therapy on outcomes. The median duration of follow‐up was 13.0 months. The primary outcomes were cardiac death and major adverse cardiovascular events (MACE). The secondary outcomes were all‐cause death, stroke, unstable angina, rehospitalization for HF, and recurrent myocardial infarction (MI).ResultsCompared with discontinuous beta‐blocker therapy, continuous beta‐blocker therapy was associated with a reduced risk of unstable angina, recurrent MI, and MACE (hazard ratio [HR]: 0.51; 95% CI: 0.32–0.82; p = 0.006); but this association was not available for cardiac death (HR: 0.57; 95% CI: 0.24–1.36; p = 0.206). When compared to the subgroups of no‐beta‐blocker therapy and beta‐blocker therapy <6 months, respectively, continuous beta‐blocker therapy was still observed to be associated with a reduced risk of unstable angina, recurrent MI, and MACE.ConclusionsContinuous beta‐blocker therapy was associated with a reduced risk of unstable angina or recurrent MI or MACE in patients without HF or left ventricular systolic dysfunction after AMI.
Label‐Free Sensing of Cysteine through Cadmium Ion Coordination: Smartphone‐Based Electrochemical Detection
Authors: Liu Guang , Li Yaru , Lu Yanli , Jia Yixuan , Shan Jianzhen , Liu Qingjun 
Published: March 2022

AbstractThe detection of biologically important compounds such as cysteine remains a challenge for monitoring body metabolism. This work proposes a transition metal ion coordination‐based label‐free cysteine sensor with smartphone‐based square wave voltammetry sensing system for the point‐of‐care testing (POCT). In the sensing system, potential excitation and current measurements were accomplished by a miniaturized and integrated circuit board with a smartphone to wirelessly control the system via Bluetooth. The electrochemical currents changed with the cysteine concentrations ranging from 0 μM to 200 μM with a linearity correlation coefficient of 0.9915. The limit of detection was as low as 0.0149 μM for cysteine. The smartphone‐based system provides an effective strategy for cysteine detection, and it can also serve as a promising portable sensing platform for the analysis of other small molecules.
Comparative pharmacodynamic and pharmacokinetic study of MIDD0301 and its (S) enantiomer
Authors: Rashid Roni M. S. , Zahn Nicolas M. , Yocum Gene T. , Webb Daniel A. , Mian Md Yeunus , Meyer Michelle J. , Tylek Anika S. , Cook James M. , Emala Charles W. , Stafford Douglas C. , Arnold Leggy A. 
Published: March 2022

AbstractMIDD0301 is being developed as an oral drug to relax airway smooth muscle (ASM) and reduce lung inflammation in asthma. We report a comparative study of MIDD0301 and its S isomer (MIDD0301S), and found that the compounds have equivalent affinity for γ‐aminobutyric acid type A receptor (GABAAR) expressed in rat brain, with half maximal inhibitory concentration values of 25.1 and 26.3 nM for the S and R enantiomers, respectively. Both compounds relaxed substance P contracted ASM within 30 min and neither enantiomer revealed affinity to 48 receptors in an off‐target screen. Both enantiomers reduced airway hyperresponsiveness (AHR) with nebulized and oral dosing in two mouse models of bronchoconstriction. In A/J mice, which are very sensitive to methacholine‐induced bronchoconstriction, we observed reduction of AHR at 10.8 mg/kg MIDD0301 and 15 mg/kg MIDD0301S. Using oral administration, 100 mg/kg/day for 3 days of either enantiomer was sufficient to reduce AHR. In a model of severe airway inflammation induced by interferon‐γ and lipopolysaccharide (LPS), we observed reduction of AHR at 7.2 mg/kg for both enantiomers using nebulized administration, and at 100 mg/kg for oral administration. MIDD0301 and MIDD0301S did not undergo Phase I metabolism. Glucuronidation was observed for both compounds, whereas only MIDD0301 formed the corresponding glucoside in the presence of kidney microsomes. Pharmacokinetic analysis identified glucuronides as the major metabolite with concentrations up to 20‐fold more than the parent compound. MIDD0301 glucuronide and MIDD0301 taurine bind GABAARs, although 10‐fold weaker than MIDD0301. In mouse blood, the taurine adduct was only observed for MIDD0301. Overall, both compounds exhibited similar receptor binding and pharmacodynamic properties with subtle differences in metabolism and greater oral availability and blood concentrations of MIDD0301S.
Woody plant encroachment of grassland and the reversibility of shrub dominance: Erosion, fire, and feedback processes
Authors: Li Junran , Ravi Sujith , Wang Guan , Van Pelt R. Scott , Gill Thomas E. , Sankey Joel B. 
Published: March 2022

AbstractMany grass‐dominated ecosystems in dryland regions have experienced increasing woody plant density and abundance during the past century. In many cases, this process has led to land degradation and declines in ecosystem functions. An example is the Chihuahuan Desert in the southwestern United States, which experienced different stages of shrub encroachment in the past 150 years. Among a wide variety of mechanisms to explain the grass–shrub transitions in this dryland system, soil erosion (both wind and water) and fire are particularly well studied. Here, we synthesize recent developments on the drivers and feedback in the process of shrub encroachment in the Chihuahuan Desert through the intercomparison of two Long Term Ecological Research (LTER) sites, namely Jornada and Sevilleta. Experimental and modeling studies support a conceptual framework, which underscores the important roles of erosion and fire in woody plant encroachment. Collectively, research at the Jornada LTER provided complementary, quantitative support to the well‐known fertile‐islands framework. Studies at the Sevilleta LTER expanded the framework, adding fire as a major disturbance to woody plants. Conceptual models derived from the synthesis represent the general understanding of shrub encroachment that emerged from research at these two sites, and can guide management interventions aimed at reducing or mitigating undesirable ecosystem state change in many other drylands worldwide.
Facilitation differentially affects competitive responses of aspen and subalpine fir through stages of stand development
Authors: Lee Molinari Rebecca , Bekker Matthew F. , St. Clair Benjamin D. , Bartholomew Jason , DeRose R. Justin , Kitchen Stanley G. , St. Clair Samuel B. 
Published: March 2022

AbstractSpatial interactions between trees influence forest community succession. The objective of this study was to investigate how shifts in forest composition and proximity between tree species affect stand development over time in mixed forest systems. At six locations across the Fishlake National Forest, Utah, USA, in stands where facilitation has been documented previously, tree‐ring samples were collected from aspen and subalpine fir trees. Basal area increment was calculated to characterize the effects of the proximity of overstory trees on multidecadal growth responses of aspen and subalpine fir in aspen‐dominant and mixed aspen–conifer stands. Subalpine fir seedlings were established next to aspen (within 10 cm) when aspen was between 15 and 120 years old with a mean age of 60 years. Aspen and subalpine fir growth rates were reduced with increasing conifer abundance. Aspen trees growing next to a proximate subalpine fir tree had slower growth rates over time than aspen trees growing independently. Growth rates of subalpine fir in aspen‐dominated stands were similar when growing independently or near aspen trees. However, subalpine fir in conifer‐dominated stands maintained higher growth rates when growing next to an aspen tree than when growing independently. The data suggest that as stand competition increases with conifer abundance, the proximity of overstory trees increases competitive exclusion of aspen while having a beneficial growth effect on subalpine fir. These results underscore the importance of maintaining natural fire regimes in forest systems that keep competitive interactions in balance.
Numerical prediction on arc characteristics for various polymer materials during polymer‐ablated arc ignition process
Authors: Nakano Yusuke , Tanaka Yasunori , Ishijima Tatsuo , Nagai Daiki , Inenaga Kentaro 
Published: March 2022

AbstractCharacteristics of ignition process of polymer‐ablated arc with different current values were investigated with electromagnetic thermofluid analysis. This thermofluid simulation is based on calculated particle composition, thermodynamic and transport properties of evaporated vapor of polymer material and electrode material. Polymer ablation was assumed to occur by heat flux from the arc plasma. The initiation of polymer ablation was studied for different polymer materials because polymer ablation can affect arc behavior and then arc interruption ability. Results showed that it took time of milli‐ to tens milliseconds to initiate polymer ablation, and that its initiation time decreases with increasing current.
Application of machine learning for advanced material prediction and design
Authors: Chan Cheuk Hei , Sun Mingzi , Huang Bolong 
Published: March 2022

AbstractIn material science, traditional experimental and computational approaches require investing enormous time and resources, and the experimental conditions limit the experiments. Sometimes, traditional approaches may not yield satisfactory results for the desired purpose. Therefore, it is essential to develop a new approach to accelerate experimental progress and avoid unnecessary wasting of time and resources. As a data‐driven method, machine learning provides reliable and accurate performance to solve problems in material science. This review first outlines the fundamental information of machine learning. It continues with the research concerning the prediction of various properties of materials by machine learning. Then it discusses the methods for the discovery of new materials and the prediction of their structural information. Finally, we summarize other applications of machine learning in material science. This review will be beneficial for future application of machine learning in more material science research.image
A comprehensive review on impacts of COVID‐19 in food preservation and cold chain: An approach towards implementing green energy technologies
Authors: Edwin M. , Nair M. Saranya , Sekhar S. Joseph 
Published: March 2022

AbstractTechnology plays a crucial role in fighting COVID‐19 pandemic. The COVID‐19 pandemic impacts all facets of human life, including food preservation and supply chain. The changes in the food processing and preservation brings changes to the global food choice. In the age of the COVID‐19 pandemic scare, the present article explores the framework for food security. It offers insights into food security with a focus on renewable energy to help rural farmers, besides, exploring the possibility of the diffusion of COVID‐19 via food chain. This article indicates that the implementation of stand‐alone and hybrid renewable energy systems is relatively fresh in food processing, preservation, and transportation chain. Green food preservation may be a revolutionary idea to address the challenges of the future to secure both producers and customers, besides, to improve the attractiveness of the ecological, economic, and creative sectors. This study reveals that the transformation can be achieved from a technological and economic point of view with the key steps to fulfill this goal in a cost‐effective manner. The observation also shows a suitable methodology to identify the best energy, economic and environmental scenario towards fulfilling the energy needs in isolated areas.