bluuebunny/crossref_metadata_2025_split huggingface dataset:
Green Electrosynthesis of 5,5′‐Azotetrazolate Energetic Materials Plus Energy‐Efficient Hydrogen Production Using Ruthenium Single‐Atom Catalysts
Authors: Li Jiachen , Zhang Cong , Zhang Chi , Ma Huijun , Guo Zhaoqi , Zhong Chenglin , Xu Ming , Wang Xuanjun , Wang Yaoyu , Ma Haixia , Qiu Jieshan 
Published: June 2022

AbstractWater electrolysis involves two parallel reactions, that is, oxygen evolution (OER) and hydrogen evolution (HER), in which sluggish OER is a significant limiting step that results in high energy consumption. Coupling the thermodynamically favorable electrooxidation of organic alternatives to value‐added fine chemicals HER is a promising approach for the simultaneous cost‐effective production of value‐added chemicals and hydrogen. Here, a new coupling system for the green electrochemical synthesis of organic energetic materials (EMs) plus hydrogen production using single‐atom catalysts is introduced. The catalysts are prepared by the facile galvanostatic deposition of ruthenium single atoms on the molybdenum selenide and reveal a low HER overpotential of 38.9 mV at −10 mA cm−2 in an alkaline medium. Importantly, the cell voltage of water electrolysis can be significantly reduced to only 1.35 V at a current of 10 mA cm−2 by coupling water splitting with the electrooxidation of 5‐amino‐1H‐tetrazole to synthesize 5,5′‐azotetrazolate energetic material. These materials are traditionally synthesized under harsh conditions involving a strong oxidizing agent, high‐temperature conditions, and difficult separation of by‐products. This study provides a green and efficient method of synthesizing organic EMs while simultaneously producing hydrogen.
A Review of Recent Advances in Electrically Driven Polymer‐Based Flexible Actuators: Smart Materials, Structures, and Their Applications
Authors: Ahn Junseong , Gu Jimin , Choi Jungrak , Han Chankyu , Jeong Yongrok , Park Jaeho , Cho Seokjoo , Oh Yong Suk , Jeong Jun‐Ho , Amjadi Morteza , Park Inkyu 
Published: June 2022

AbstractPolymer‐based flexible actuators have recently attracted significant attention owing to their great potentials in soft robotics, wearables, haptics, and medical devices. In particular, electrically driven polymer‐based flexible actuators are considered as some of the most practical actuators because they can be driven by a simple electrical power source. Over the past decade, research on electrically driven soft actuators has greatly progressed, leading to the development of various functional materials and bioinspired structures. This article comprehensively reviews recent advances in electrically driven soft actuators and compares their actuation performance based on working principles, materials, and structures. Several strategies, including combining smart materials and composite structures, which are proposed to overcome some of the drawbacks of electrically driven soft actuators, are also discussed. Finally, potential applications of electrically driven soft actuators in soft robotics are summarized and an outlook is presented.
Wafer‐Scale 200 mm Metal Oxide Infrared Metasurface with Tailored Differential Emissivity Response in the Atmospheric Windows
Authors: Sun Kai , Vassos Evangelos , Yan Xingzhao , Wheeler Callum , Churm James , Wiecha Peter R. , Gregory Simon A. , Feresidis Alex , de Groot Cornelis H. , Muskens Otto L. 
Published: June 2022

AbstractMetasurfaces with sub‐wavelength nanoscale features have emerged as a platform to achieve desirable electromagnetic responses. However, it remains technically challenging to fabricate metasurfaces in large size and at low cost for mass production. This work demonstrates a 200 mm wafer‐scale Al:ZnO metasurface coating based on deep‐UV lithography. The metasurfaces are targeted to achieve infrared (IR) reflectivity and emissivity characteristics at bandwidths across the two atmospheric windows in the IR spectrum. The wafers demonstrate a high uniformity of optical response with tailored reflectivity of around 50% at the 3–5 µm mid‐wave IR band and less than 10% at the 8–13 µm long‐wave IR band. This article furthermore shows that the design principle allows achieving a wide range of dual‐band reflectivity values using a single underlying materials stack, offering a versatile platform. The proposed approach is compatible with CMOS‐compatible mass‐production manufacturing and brings IR metasurface coatings closer to commercially relevant and scalable technology.
Enhanced Output of On‐Body Direct‐Current Power Textiles by Efficient Energy Management for Sustainable Working of Mobile Electronics
Authors: Cheng Renwei , Ning Chuan , Chen Pengfei , Sheng Feifan , Wei Chuanhui , Zhang Yihan , Peng Xiao , Dong Kai , Wang Zhong Lin 
Published: June 2022

AbstractTriboelectric power textile (TPT) that can harvest widespread but always neglected human biomechanical energy is considered a promising and reliable energy source for wearable electronics. However, the alternating current and high impedance of triboelectric nanogenerators as well as the meager electrical output caused by the properties of the textile itself greatly restrict its practical applications. Here, an autonomous power textile with practical application value, which consists of a high‐output direct‐current TPT (DC‐TPT) and a miniaturized energy management module (EMM), is achieved for continuous operation of wearable and mobile electronics. The home‐preparable multiarray DC‐TPT can harvest transferred charge of 5.5 µC per cycle with nine repeating units. Moreover, it is found that incorrect sewing positions of the polytetrafluoroethylene (PTFE) yarn change the working mechanism with a decreased DC output. The EMM with energy conversion efficiency of 82.6% can reduce the impedance of DC‐TPT from 200 to 1.6 MΩ. With its powerful assistance, the watch can work continuously for 172 s just by manually sliding the DC‐TPT 1.6 s on an arm, and wireless signals can be transmitted to 281 m away after sliding for 2 min. Various widely used electronics can also be easily and continuously driven.
Forage yield and profitability of grain‐type intermediate wheatgrass under different harvest schedules
Authors: Puka‐Beals Jesse , Sheaffer Craig C. , Jungers Jacob M. 
Published: June 2022

AbstractIntermediate wheatgrass [Thinopyrum intermedium (Host) Barkworth & Dewey] (IWG) is a perennial forage grass being domesticated to function as a perennial grain crop. Grain yield of improved, grain‐type IWG cultivars decline by the third year of production and managing aging stands for forage production presents economic opportunities. Limited research is available on the response of second‐ and third‐year grain‐type IWG to different forage harvest schedules. We measured forage yield and nutritive value of grain‐type IWG in the second and third year of production under nine forage harvest schedules varying in the timing of the first harvest (at boot, anthesis, or soft dough stage) and the number of fall harvests (none, one [Sept.], or two [Sept. and Nov.]). As timing of the first harvest was delayed and IWG maturity increased from boot to soft dough, yield increased from 2.4 to 3.7 Mg ha–1 and relative feed value decreased from 113 to 82. Yield at subsequent September and November harvests averaged 30% and 12% of the initial harvest yield, respectively. Total annual forage yield was not affected by the timing of the first harvest but was predictably greater for two or three harvests compared with one harvest; however, additional harvests in September and November decreased net returns. Grain‐type IWG stands harvested in the third year after peak grain production have potential to provide forage similar to common perennial cool season forage grasses. Tradeoffs between forage yield and nutritive value should be considered when selecting the timing of the initial spring forage harvest.
Characterization of soil nematode community structure in semi‐arid dryland barley systems
Authors: Burkhardt Andy , Briar Shabeg , Martin John M. , Carr Patrick M. , Sherman Jamie 
Published: June 2022

AbstractSoil nematode community structure and composition can inform crop managers about soil quality. However, few studies have assessed the nematode community under agricultural systems in cool semi‐arid regions such as the U.S. northern Great Plains. We assessed soil nematode community structure of barley (Hordeum vulgare L.) and barley–pea (Pisum sativum L.) cropping systems from 2016 to 2018 in one tilled and two no‐till field experiments under dryland management in central and southwestern Montana. Soils were sampled prior to planting in the spring and following harvest in late summer and nematodes were classified to genus level via microscopy. Both in season moisture stress and overwinter stress explained decline in nematodes in the central Montana no‐till experiments, although consistent impacts of moisture or overwinter stress on nematodes were not detected in the tilled field experiment. Cropping system or sequence did not impact the nematode population (p > .1), but barley yield was positively correlated with larger nematode populations in both no‐till experiments (r > .60). The percentage of fungivores were negatively correlated (r = –.42) to barley yield under tillage. Plant parasitic nematodes were positively correlated (r = .43) to barley yield under tillage. These results suggest that factors which enhance cereal crop growth and productivity rather than crop diversification drive short‐term nematode community dynamics when crop rotations are established in cool semi‐arid regions. Future work is needed to determine if cropping system changes can impact nematode populations after several years in cool semi‐arid regions and, if so, what ecosystem services result from these transformations.
Model predictive control of a second‐order hyperbolic transport‐reaction process
Authors: Cassol Guilherme Ozorio , Dubljevic Stevan 
Published: June 2022

AbstractThe model predictive controller (MPC) design is developed for a tubular chemical reactor, considering a second‐order hyperbolic partial differential equation as the model of the transport‐reaction process with boundary actuation. Without loss of generality, closed–closed boundary conditions and relaxed total flux are assumed. At the same time, the model is discretized in time by the Cayley–Tustin method, and, under the assumption that only the reactor's output is measurable, the observer design for the state reconstruction is addressed and integrated with the MPC design. The Luenberger observer gain is obtained by solving the operator Ricatti equation in the discrete‐time setting, while the MPC accounts for constrained and optimal control. The simulations show that the output‐based MPC design stabilizes the system under the input and output constraints satisfaction. In addition, to address the models' disparities, the results for both parabolic and hyperbolic equations are presented and discussed.
Pyomo.DOE: An open‐source package for model‐based design of experiments in Python
Authors: Wang Jialu , Dowling Alexander W. 
Published: June 2022

AbstractPredictive mathematical models are a cornerstone of science and engineering. Yet selecting, calibrating, and validating said science‐based models often remains an art in practice. Model‐based design of experiments (MBDoE) provides a systematic framework to maximize information gain from experiments while minimizing time and resource costs. But MBDoE remains limited to niche application areas, in part because practitioners must integrate expertise in statistics, computational optimization, and modeling. To help reduce this barrier, we introducePyomo.DOE, an open‐source package for MBDoE.Pyomo.DOEuses a nonlinear sensitivity analysis codek_augto quickly approximate the Fisher information matrix and leverages a new stochastic programming abstraction. We demonstratePyomo.DOEwith the first application of MBDoE to fixed‐bed breakthrough experiments, which highlights the power ofPyomo.DOEto quantify the value of experimental modifications a priori for large‐scale partial differential‐algebraic equation (PDAE) models. We also provide a mathematical primer on MBDoE targeted at general chemical engineers.
Recent Trends in Upgrading of CO2 as a C1 Reactant in N‐ and C‐Methylation Reactions
Authors: Naik Ganesh , Sarki Naina , Goyal Vishakha , Narani Anand , Natte Kishore 
Published: June 2022

AbstractCarbon dioxide (CO2) capture and conversion from renewable resources have recently emerged as a viable alternative to the synthesis of core chemicals. Despite the fact that CO2 fixation is limited due to its thermodynamic stability and kinetic inertness, researchers are becoming increasingly interested in developing novel routes with the use of CO2 in synthetic organic chemistry, and the pace of advancements in this field is accelerating. In particular, the development of benign N‐ and C‐methylation reactions employing CO2 as a C1 synthon instead of conventional methylation reagents would enable the release of lower amounts of waste leading to more sustainable chemical industry. This review presents recent new strategies for the chemical transformation of CO2 and its incorporation into N‐ or C‐based nucleophiles to provide access to the respective methylamines and methylated (hetero)arenes. Finally, existing limitations in N−H, and C−H bond activation techniques and future prospects are also discussed. We believe these methodologies will provide a handy reference to the chemists for synthesizing a vast range of methylated molecules in shorter steps by utilizing CO2 as an advantageous single‐carbon source.
Azo Compounds as Active Materials of Energy Storage Systems
Authors: Shimizu Takeshi , Tanifuji Naoki , Yoshikawa Hirofumi 
Published: June 2022

AbstractThe rapid evolution of electrical devices and the increasing demand for the supply of sustainable energy necessitate the development of high‐performance energy storage systems such as rechargeable and redox flow batteries. However, these batteries typically contain inorganic active materials, which exhibit several critical drawbacks hindering further development. In this regard, azo compounds are promising alternatives, offering the benefits of fast kinetics, multi‐electron redox reactions, and tunable (via structural adjustment) battery performance. Herein, we review the use of azo compounds as the active materials of rechargeable and redox flow batteries, discuss certain aspects of material design and electrochemical reaction mechanisms, and summarize the corresponding perspectives and research directions to facilitate further progress in this field.
Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by31Mg β‐Radiation‐Detected NMR Spectroscopy
Authors: McFadden Ryan M. L. , Szunyogh Dániel , Bravo‐Frank Nicholas , Chatzichristos Aris , Dehn Martin H. , Fujimoto Derek , Jancsó Attila , Johannsen Silke , Kálomista Ildikó , Karner Victoria L. , Kiefl Robert F. , Larsen Flemming H. , Lassen Jens , Levy C. D. Philip , Li Ruohong , McKenzie Iain , McPhee Hannah , Morris Gerald D. , Pearson Matthew R. , Sauer Stephan P. A. , Sigel Roland K. O. , Thulstrup Peter W. , MacFarlane W. Andrew , Hemmingsen Lars , Stachura Monika 
Published: June 2022

AbstractThe complexation of MgIIwith adenosine 5′‐triphosphate (ATP) is omnipresent in biochemical energy conversion, but is difficult to interrogate directly. Here we use the spin‐β‐emitter31Mg to study MgII‐ATP complexation in 1‐ethyl‐3‐methylimidazolium acetate (EMIM‐Ac) solutions using β‐radiation‐detected nuclear magnetic resonance (β‐NMR). We demonstrate that (nuclear) spin‐polarized31Mg, following ion‐implantation from an accelerator beamline into EMIM‐Ac, binds to ATP within its radioactive lifetime before depolarizing. The evolution of the spectra with solute concentration indicates that the implanted31Mg initially bind to the solvent acetate anions, whereafter they undergo dynamic exchange and form either a mono‐ (31Mg‐ATP) or di‐nuclear (31MgMg‐ATP) complex. The chemical shift of31Mg‐ATP is observed up‐field of31MgMg‐ATP, in accord with quantum chemical calculations. These observations constitute a crucial advance towards using β‐NMR to probe chemistry and biochemistry in solution.
Dissipative Formation of Covalent Basket Cages
Authors: Liyana Gunawardana Vageesha W. , Finnegan Tyler J. , Ward Carson E. , Moore Curtis E. , Badjić Jovica D. 
Published: June 2022

AbstractLiving systems use chemical fuels to transiently assemble functional structures. As a step toward constructing abiotic mimics of such structures, we herein describe dissipative formation of covalent basket cage CBC 5 by reversible imine condensation of cup‐shaped aldehyde 2 (i.e., basket) with trivalent aromatic amine 4. This nanosized [4+4] cage (V=5 nm3, Mw=6150 Da) has shape of a truncated tetrahedron with four baskets at its vertices and four aromatic amines forming the faces. Importantly, tris‐aldehyde basket 2 and aliphatic tris‐amine 7 undergo condensation to give small [1+1] cage 6. The imine metathesis of 6 and aromatic tris‐amine 4 into CBC 5 was optimized to bias the equilibrium favouring 6. Addition of tribromoacetic acid (TBA) as a chemical fuel perturbs this equilibrium to result in the transient formation of CBC 5, with subsequent consumption of TBA via decarboxylation driving the system back to the starting state.
Microscopic anatomy of the upper aerodigestive tract in harbor seals (Phoca vitulina): Functional adaptations to swallowing
Authors: Nourbakhsh Hirad , Adams Arlo , Raverty Stephen , Vogl A. Wayne , Haulena Martin , Skoretz Stacey A. 
Published: June 2022

AbstractAbandoned harbor seal pups (Phoca vitulina) are frequently recovered by rehabilitation centers and often require intensive nursing, gavage feeding and swallowing rehabilitation prior to anticipated release. Seal upper aerodigestive tract (UAT) histology descriptions relevant to deglutition are limited, impacting advances in rehabilitation practice. Therefore, we examined the histological characteristics of the harbor seal UAT to understand species‐specific functional anatomy and characterize adaptations. To this end, we conducted gross dissections, compiled measurements and reviewed histologic features of the UAT structures of 14 preweaned harbor seal pups that died due to natural causes or were humanely euthanized. Representative samples for histologic evaluation included the tongue, salivary glands, epiglottis, and varying levels of the trachea and esophagus. Histologically, there was a prominent muscularis in the tongue with fewer lingual papillae types compared to humans. Abundant submucosal glands were observed in lateral and pharyngeal parts of the tongue and rostral parts of the esophagus. When compared to other mammalian species, there was a disproportionate increase in the amount of striated muscle throughout the length of the esophageal muscularis externa. This may indicate a lesser degree of autonomic control over the esophageal phase of swallowing in harbor seals. Our study represents the first detailed UAT histological descriptions for neonatal harbor seals. Collectively, these findings support specific anatomic and biomechanical adaptations relevant to suckling, prehension, and deglutition. This work will inform rehabilitation practices and guide future studies on swallowing physiology in harbor seals with potential applications to other pinniped and otariid species in rehabilitation settings.
User empowerment and well‐being with mHealth apps during pandemics: A mix‐methods investigation in China
Authors: Zhou Zhongyun , Jin Xiao‐Ling , Hsu Carol , Tang Zhenya 
Published: June 2022

AbstractAs a healthcare ICT4D solution, mobile health (mHealth) can potentially improve users' well‐being during pandemics, especially in developing countries with limited healthcare resources. Recent ICT4D research reveals that providing end‐users with access to ICT is insufficient for improving well‐being and, thus, understanding how mHealth empowers end‐users to enhance well‐being against stressful events is important. However, prior research has rarely discussed the issue of empowerment in the domain of mHealth or the context of major disruptive events. This paper contributes to the literature by conceptualizing the psychological empowerment of mHealth users (PEMU) and investigating its nomological network during pandemics. Drawing upon theories of psychological empowerment and event characteristics, we developed a research model and tested it through a mixed‐methods investigation, containing a quantitative study with 602 Chinese mHealth users during COVID‐19 and a follow‐up qualitative study of 326 online articles and reviews. We found that PEMU, driven by three technological characteristics (perceived response efficacy, ease of use, and mHealth quality), affects well‐being through both (a) a stress‐buffering effect, which counterbalances the detrimental, stress‐increasing effects of event criticality and disruption, and (b) a vitality‐stimulating effect, which is intensified by event criticality. These findings have important implications for ICT4D research and practice.
Empathizing, systemizing, empathizing‐systemizing difference and their association with autistic traits in children with autism spectrum disorder, with and without intellectual disability
Authors: Pan Ning , Auyeung Bonnie , Wang Xin , Lin Li‐Zi , Li Hai‐Lin , Zhan Xiao‐Ling , Jin Cheng‐Kai , Jing Jin , Li Xiu‐Hong 
Published: June 2022

AbstractEmpathizing, systemizing, and empathizing‐systemizing difference can be linked to autistic traits in the general adult population and those with autism spectrum disorder (ASD), but these profiles and associations remain unclear in children with ASD, with and without intellectual disability (ASD + ID; ASD‐noID). We recruited three groups including 160 boys with ASD (73 ASD + ID; 87 ASD‐noID) and 99 typically developing (TD) boys (6–12 years). We measured empathizing, systemizing, and empathizing‐systemizing difference using the parent‐reported child Empathy and Systemizing Quotient (EQ‐C/SQ‐C). We measured autistic traits using the Social Responsiveness Scale (SRS). Among the three groups, children with ASD + ID and ASD‐noID scored lower on the EQ‐C and SQ‐C than TD children (all p < 0.001). There was no difference in the EQ‐C between children with ASD + ID and ASD‐noID (16.59 ± 5.53 vs. 16.23 ± 5.85, p = 0.973), and the difference in the SQ‐C attenuated to null when adjusting for intelligence between children with ASD‐noID and TD children (18.89 ± 7.80 vs. 24.15 ± 6.73, p = 0.089). Children with ASD + ID scored higher on empathizing‐systemizing difference than TD children but lower than children with ASD‐noID (all p < 0.05). Negative associations between EQ‐C and all autistic traits, null associations between SQ‐C and all autistic traits, and positive associations between empathizing‐systemizing difference and all autistic traits were found in all groups. We observed differences in empathizing, systemizing, and empathizing‐systemizing difference and the consistency of their associations with autistic traits among the three groups. Our findings provide implication that behavioral interventions of ASD should consider the balance of empathizing and systemizing.Lay SummaryWe examined the profiles of empathizing, systemizing, and empathizing‐systemizing difference in children with autism spectrum disorder, with and without intellectual disability (ASD + ID; ASD‐noID), and typically developing (TD) children aged 6–12 years. We observed differences in these profiles and the consistency of their associations with autistic traits among the three groups. Empathizing and empathizing‐systemizing difference, rather than systemizing, were associated with autistic traits within the three groups. Our findings provide implication that behavioral interventions of ASD should consider these imbalance profiles.