bluuebunny/crossref_metadata_2025_split huggingface dataset:
Supervised Intensive Exercise for Strengthening Exercise Health Beliefs in Patients With Axial Spondyloarthritis: A Multicenter Randomized Controlled Trial
Authors: Bilberg Annelie , Dagfinrud Hanne , Sveaas Silje H. 
Published: January 2021

ObjectiveTo evaluate the effect of a 3‐month supervised high‐intensity exercise program on exercise health beliefs in patients with axial spondyloarthritis.MethodsThis was secondary analysis of a randomized controlled trial. Participants (ages 23–69 years) were randomized to an exercise group (n = 50) or a control group (n = 50). The intervention was an individually guided cardiorespiratory and strength exercise program performed 2 times per week, plus an additional individual exercise session of personal choice. The control group received standard care and instructions to maintain their physical activity level. Exercise health beliefs using the Exercise Health Beliefs questionnaire (range 20–100, 100 = best), i.e., barriers, benefits, self‐efficacy and exercise impact on arthritis, and physical activity, were assessed with self‐reported questionnaires at baseline, 3 months, and 12 months after inclusion.ResultsThe majority of the participants in the exercise group (76%) followed ≥80% of the prescribed exercise protocol. There was a significant effect of the intervention on exercise health beliefs at 3 months (estimated mean group differences 4.0 [95% confidence interval (95% CI) 1.4, 6.6]; P = 0.003) and the effect persisted at 12 months follow‐up (estimated mean group differences 3.8 [95% CI 1.0, 6.6]; P = 0.008). Participants with higher exercise health beliefs had a higher odds ratio (1.1 [95% CI 1.0, 1.20]; P = 0.003) for being physically active at 12 months follow‐up.ConclusionA supervised high‐intensity exercise program had beneficial short‐ and long‐term effects on participants’ exercise health beliefs. Stronger exercise health beliefs were positively associated with a higher chance to be physically active on a health‐enhancing level at 12 months follow‐up.
Text Mining of Electronic Health Records Can Accurately Identify and Characterize Patients With Systemic Lupus Erythematosus
Authors: Brunekreef Tammo E. , Otten Henny G. , van den Bosch Suzanne C. , Hoefer Imo E. , van Laar Jacob M. , Limper Maarten , Haitjema Saskia 
Published: January 2021

ObjectiveElectronic health records (EHR) are increasingly being recognized as a major source of data reusable for medical research and quality monitoring, although patient identification and assessment of symptoms (characterization) remain challenging, especially in complex diseases such as systemic lupus erythematosus (SLE). Current coding systems are unable to assess information recorded in the physician’s free‐text notes. This study shows that text mining can be used as a reliable alternative.MethodsIn a multidisciplinary research team of data scientists and medical experts, a text mining algorithm on 4607 patient records was developed to assess the diagnosis of 14 different immune‐mediated inflammatory diseases and the presence of 18 different symptoms in the EHR. The text mining algorithm included key words in the EHR, while mining the context for exclusion phrases. The accuracy of the text mining algorithm was assessed by manually checking the EHR of 100 random patients suspected of having SLE for diagnoses and symptoms and comparing the outcome with the outcome of the text mining algorithm.ResultsAfter evaluation of 100 patient records, the text mining algorithm had a sensitivity of 96.4% and a specificity of 93.3% in assessing the presence of SLE. The algorithm detected potentially life‐threatening symptoms (nephritis, pleuritis) with good sensitivity (80%‐82%) and high specificity (97%‐97%).ConclusionWe present a text mining algorithm that can accurately identify and characterize patients with SLE using routinely collected data from the EHR. Our study shows that using text mining, data from the EHR can be reused in research and quality control.
Modulating Flow Topology in Microdroplets to Control Reaction Kinetics
Authors: Ma Shaohua , Zhao Haoran , Galan Edgar A. , Balabani Stavroula 
Published: January 2021

AbstractIn traditional reaction flasks, the reaction rate of macromolecular compounds is dictated by the concentrations and distribution of reactants along with their intrinsic reaction kinetics. Controlling reaction kinetics in microfluidic droplets has been proposed through the regulation of flow dynamics, but is yet to be demonstrated experimentally. Here, this hypothesis is verified by accelerating or suppressing macromolecular reactant mixing in microfluidic droplets. The control of reaction kinetics through the modulation of flow topology in microdroplets may enable further developments in modeling macromolecular systems.
Contact‐Barrier Free, High Mobility, Dual‐Gated Junctionless Transistor Using Tellurium Nanowire
Authors: Dasika Pushkar , Samantaray Debadarshini , Murali Krishna , Abraham Nithin , Watanbe Kenji , Taniguchi Takashi , Ravishankar N , Majumdar Kausik 
Published: January 2021

AbstractThe gate‐all‐around nanowire transistor, due to its extremely tight electrostatic control and vertical integration capability, is a highly promising candidate for sub‐5 nm technology nodes. In particular, the junctionless nanowire transistors are highly scalable with reduced variability due to avoidance of steep source/drain junction formation by ion implantation. Here a dual‐gated junctionless nanowire p‐type field effect transistor is demonstrated using tellurium nanowire as the channel. The dangling‐bond‐free surface due to the unique helical crystal structure of the nanowire, coupled with an integration of dangling‐bond‐free, high quality hBN gate dielectric, allows for a phonon‐limited field effect hole mobility of 570 cm2 V−1 s−1 at 270 K, which is well above state‐of‐the‐art strained Si hole mobility. By lowering the temperature, the mobility increases to 1390 cm2 V−1 s−1 and becomes primarily limited by Coulomb scattering. The combination of an electron affinity of ≈4 eV and a small bandgap of tellurium provides zero Schottky barrier height for hole injection at the metal‐contact interface, which is remarkable for reduction of contact resistance in a highly scaled transistor. Exploiting these properties, coupled with the dual‐gated operation, we achieve a high drive current of 216 μA μm−1 while maintaining an on‐off ratio in excess of 2 × 104. The findings have intriguing prospects for alternate channel material based next‐generation electronics.
Molecular Engineering toward Pyrrolic N‐Rich M‐N4 (M = Cr, Mn, Fe, Co, Cu) Single‐Atom Sites for Enhanced Heterogeneous Fenton‐Like Reaction
Authors: Chen Feng , Wu Xi‐Lin , Shi Chenyang , Lin Hongjun , Chen Jianrong , Shi Yanpeng , Wang Shaobin , Duan Xiaoguang 
Published: January 2021

AbstractHeterogeneous Fenton‐like reactions (HFLR) are promising alternative strategies to address the inherent limitations of the classic Fenton systems. Herein, a facile and scale‐up approach for the synthesis of transition metal single‐atom sites (SA‐TM, TM = Cr, Mn, Fe, Co, Cu) coordinated onto pyrrolic N‐rich g‐C3N4 (PN‐g‐C3N4) scaffold is developed. The regulated pyrrolic N‐rich SA‐TM catalytic sites exhibit excellent performances for HFLR. As a model of SA‐TM/PN‐g‐C3N4, SA‐Cr/PN‐g‐C3N4 is efficient for the catalytic oxidation of bisphenol A via HFLR under visible light with outstanding cyclic stability and wide effective pH range (3.0–11.0). The synergy of photocatalysis and single‐atom catalysis leads to accelerated production and separation of charge carriers as well as the cycling of Cr3+/Cr2+ couple, consequently boosting the performance in HFLR. Theoretical calculations indicate that the Cr(II)‐N4 sites with the metalloporphyrin‐like structure are more reactive than the doped Cr(II) sites in the g‐C3N4 matrix, which act as the peroxidase‐mimicking nanozyme for efficient and homolytic cleavage of peroxide OO in H2O2. This study expands the family of the iron‐free Fenton‐like systems and provides new strategies to the rational design and precise regulation of on‐demand multifunctional single‐atom catalysts for advanced water remediation.
Recent Progress in Electrocatalytic Methanation of CO2 at Ambient Conditions
Authors: Zhao Runbo , Ding Peng , Wei Peipei , Zhang Longcheng , Liu Qian , Luo Yonglan , Li Tingshuai , Lu Siyu , Shi Xifeng , Gao Shuyan , Asiri Abdullah M. , Wang Zhiming , Sun Xuping 
Published: January 2021

AbstractElectrochemical CO2 reduction under ambient conditions is a promising pathway for conversion of CO2 into value‐added products. In recent years, great achievements have been obtained in the understanding the mechanism and development of efficient and selective catalysts for electrochemical CO2 reduction. However, the electrochemical CO2 reduction is still far from practical applications. Based on the gap between current research and practical applications, the state‐of‐the‐art of the theoretical and experiment investigations on different electrocatalysts for the electrocatalysis of CO2 to CH4 is systematically and constructively reviewed. First of all, strategies for enhancing the catalytic activity and selectivity of electrochemical reduction of CO2 to CH4 are also examined in this review. The modulated strategies mainly involve the following aspects: i) tuning the applied potentials, ii) morphology engineering, iii) crystallographic facets engineering, iv) defect engineering, v) alloying. Furthermore, the influence of the electrolyte on the activity and selectivity for electrocatalysis of CO2 to CH4 is also reviewed. This review will build a systematic understanding in the electrochemical CO2 reduction to CH4 and may help to provide new insight for designing and optimizing the catalysts and/or electrolyte.
Poly(2‐oxazoline)‐ and Poly(2‐oxazine)‐Based Self‐Assemblies, Polyplexes, and Drug Nanoformulations—An Update
Authors: Zahoranová Anna , Luxenhofer Robert 
Published: January 2021

AbstractFor many decades, poly(2‐oxazoline)s and poly(2‐oxazine)s, two closely related families of polymers, have led the life of a rather obscure research topic with only a few research groups world‐wide working with them. This has changed in the last five to ten years, presumably triggered significantly by very promising clinical trials of the first poly(2‐oxazoline)‐based drug conjugate. The huge chemical and structural toolbox poly(2‐oxazoline)s and poly(2‐oxazine)s has been extended very significantly in the last few years, but their potential still remains largely untapped. Here, specifically, the developments in macromolecular self‐assemblies and non‐covalent drug delivery systems such as polyplexes and drug nanoformulations based on poly(2‐oxazoline)s and poly(2‐oxazine)s are reviewed. This highly dynamic field benefits particularly from the extensive synthetic toolbox poly(2‐oxazoline)s and poly(2‐oxazine)s offer and also may have the largest potential for a further development. It is expected that the research dynamics will remain high in the next few years, particularly as more about the safety and therapeutic potential of poly(2‐oxazoline)s and poly(2‐oxazine)s is learned.
Particle Stiffness and Surface Topography Determine Macrophage‐Mediated Removal of Surface Adsorbed Particles
Authors: Lee Aaron , Septiadi Dedy , Taladriz‐Blanco Patricia , Almeida Mauro , Haeni Laetitia , Spuch‐Calvar Miguel , Abdussalam Wildan , Rothen‐Rutishauser Barbara , Petri‐Fink Alke 
Published: January 2021

AbstractCellular surface recognition and behavior are driven by a host of physical and chemical features which have been exploited to influence particle–cell interactions. Mechanical and topographical cues define the physical milieu which plays an important role in defining a range of cellular activities such as material recognition, adhesion, and migration through cytoskeletal organization and signaling. In order to elucidate the effect of local mechanical and topographical features generated by the adsorption of particles to an underlying surface on primary human monocyte‐derived macrophages (MDM), a series of poly(N‐isopropylacrylamide) (pNIPAM) particles with differing rigidity are self‐assembled to form a defined particle‐decorated surface. Assembly of particle‐decorated surfaces is facilitated by modification of the underlying glass to possess a positive charge through functionalization using 3‐aminopropyltriethoxysilane (APTES) or coating with poly(L‐lysine) (PLL). MDMs are noted to preferentially remove particles with higher degrees of crosslinking (stiffer) than those with lower degrees of crosslinking (softer). Alterations to the surface density of particles enabled a greater area of the particle‐decorated surface to be cleared. Uniquely, the impact of particle adsorption is evinced to have a direct impact on topographical recognition of the surface, suggesting a novel approach for controllably affecting cell‐surface recognition and response.
Challenges and Strategies toward Cathode Materials for Rechargeable Potassium‐Ion Batteries
Authors: Liu Shude , Kang Ling , Jun Seong Chan 
Published: January 2021

AbstractWith increasing demand for grid‐scale energy storage, potassium‐ion batteries (PIBs) have emerged as promising complements or alternatives to commercial lithium‐ion batteries owing to the low cost, natural abundance of potassium resources, the low standard reduction potential of potassium, and fascinating K+ transport kinetics in the electrolyte. However, the low energy density and unstable cycle life of cathode materials hamper their practical application. Therefore, cathode materials with high capacities, high redox potentials, and good structural stability are required with the advancement toward next‐generation PIBs. To this end, understanding the structure‐dependent intercalation electrochemistry and recognizing the existing issues relating to cathode materials are indispensable prerequisites. This review summarizes the recent advances of PIB cathode materials, including metal hexacyanometalates, layered metal oxides, polyanionic frameworks, and organic compounds, with an emphasis on the structural advantages of the K+ intercalation reaction. Moreover, major current challenges with corresponding strategies for each category of cathode materials are highlighted. Finally, future research directions and perspectives are presented to accelerate the development of PIBs and facilitate commercial applications. It is believed that this review will provide practical guidance for researchers engaged in developing next‐generation advanced PIB cathode materials.
Controllable Capillary Assembly of Magnetic Ellipsoidal Janus Particles into Tunable Rings, Chains and Hexagonal Lattices
Authors: Xie Qingguang , Harting Jens 
Published: January 2021

AbstractColloidal assembly at fluid interfaces has a great potential for the bottom‐up fabrication of novel structured materials. However, challenges remain in realizing controllable and tunable assembly of particles into diverse structures. Herein, the capillary assembly of magnetic ellipsoidal Janus particles at a fluid–fluid interface is reported. Depending on their tilt angle, that is, the angle the particle main axis forms with the fluid interface, these particles deform the interface and generate capillary dipoles or hexapoles. Driven by capillary interactions, multiple particles thus assemble into chain‐, hexagonal‐lattice‐, and ring‐like structures, which can be actively controlled by applying an external magnetic field. A field‐strength phase diagram is predicted in which various structures are present as stable states. Owing to the diversity, controllability, and tunability of assembled structures, magnetic ellipsoidal Janus particles at fluid interfaces could therefore serve as versatile building blocks for novel materials.
Direct Distinguishing of Methanol over Ethanol with a Nanofilm‐Based Fluorescent Sensor
Authors: Han Tian , Yang Jinglun , Miao Rong , Liu Ke , Li Jing , Wang Dan , Liu Taihong , Fang Yu 
Published: January 2021

AbstractMethanol is extremely toxic to humans if ingested or if vapors are inhaled. Facile and reliable detection of methanol is an efficient way to reduce the risk of methanol poisoning. A great challenge in methanol detection lies in distinguishing methanol under high ethanol background. In this work, a nanofilm‐based fluorescent sensor for direct distinguishing methanol from pure ethanol or liquor is presented, where no sample pretreatment or sensor array is needed. The flexible, uniform, and amorphous nanofilm is synthesized via dynamic covalent binding‐driven self‐assembly of BTN and CB‐CHO at air/DMSO interface. The nanofilm shows a large Stokes shift (≈175 nm) and excellent photostability. Different from sensing films based on drip‐permeance or drop cast of organic fluorophores, sensing performance of the nanofilm shows little dependence on substrate. With the film, an optical sensor for methanol vapor detection is built and it can distinguish methanol not only from the mixture of methanol and ethanol (with ethanol content up to 90%), but also from the liquor (45% vol). The sensor shows excellent reusability and high selectivity over many commonly used organic solvent vapors. Moreover, the sensor can be used to discriminate industrial alcohol from medical alcohol and detect methanol gas leak.
Graphdiyne Visible‐Light Photodetector with Ultrafast Detectivity
Authors: Li Yuan , Zhang Mingjia , Hu Xiuli , Li Xiaodong , Li Ru , Yu Lingmin , Fan Xinhui , Wang Naiyin , Huang Changshui , Li Yuliang 
Published: January 2021

AbstractTwo‐dimensional (2D) materials have captured a tremendous amount of attention worldwide due to their unique physical and chemical properties. Herein, a mesoscopic graphdiyne (GDY) film is prepared through a facile solution method and directly used to construct an ultra‐fast visible light detector. This GDY thin film‐based photodetector exhibits both stable and repeatable high‐performance photoelectric responses to the visible light with various wavelengths. Among the visible light range, the GDY thin film is discovered to be most sensitive to 640 nm laser, which can enable it to achieve the highest response value of up to 46300%, thus conferring GDY materials an undeniable superiority of application in photoelectric devices. Especially, such GDY‐based detectors demonstrate ultra‐fast response speeds with an ephemeral response/recovery time of only 5.15/19.83 µs, which is far better than most reported photosensitive materials, including inorganic materials, low‐dimensional composites, and heterojunctions. This study suggests that GDY thin films can be regarded as new promising candidates for application as rapid photoelectric sensors. More importantly, this paper reveals the vast potential of such sp‐hybridized carbon as novel carbon‐based semiconductors in future optoelectronic applications due to their unique structure and energy band.
Engineering of Mixed Eu3+/Tb3+ Metal‐Organic Frameworks Luminescent Thermometers with Tunable Sensitivity
Authors: Trannoy Virgile , Carneiro Neto Albano N. , Brites Carlos D. S. , Carlos Luís D. , Serier‐Brault Hélène 
Published: January 2021

AbstractIn the last decade, numerous Ln‐bearing metal‐organic frameworks (MOFs) have been reported for luminescence thermometry applications. Although the Ln3+ composition is always thoroughly determined, this parameter is never optimized to improve thermometric performances. Here, the optimization of thermometric performances of luminescent probes is tackled by reporting a series of mixed Eu3+–Tb3+ metal‐organic frameworks. The thermometric performances are accessed as a function of the Eu3+ content yielding a maximum relative sensitivity between 0.19 and 0.44% K−1 registered at temperatures between 340 and 240 K, respectively. A meticulous theoretical investigation of the Tb3+‐to‐Eu3+ energy transfer in the series of mixed Eu3+–Tb3+ MOFs is also performed to determine the predominant pathway of the energy transfer. For the first time, a clear evidence of the significant influence of the Eu/Tb ratio on the energy transfer between Ln3+ emitting centers is presented that definitively determines the operating temperature range and the maximum relative sensitivity of the luminescent thermal probes.
Challenges and Opportunities in Simulations and Computer Experiments in Industrial Statistics: An Industry 4.0 Perspective
Authors: Kenett Ron S. , Vicario Grazia 
Published: January 2021

AbstractThis paper is a review of the growing role of simulations and computer experiments in industrial statistics, with an emphasis on Industry 4.0 applications. It maps the background, the current state, and the future directions of computer simulations in a wide range of process engineering, product design, and analytic disciplines.
Structural, Topological, and Superconducting Properties of Two‐Dimensional Tellurium Allotropes from Ab Initio Predictions
Authors: Zhao Chunxiang , Cai Xiaolin , Liu Liangliang , Liu Chengyan , Zeng Zaiping , Niu Chunyao , Xia Congxin , Jia Yu 
Published: January 2021

AbstractThe discovery of tellurene has effectively extended the realm of two‐dimensional (2D) elemental materials to group‐VI, which demonstrates promising potential in next‐generation electronic and optoelectronic device applications. Beyond the three prevailing structural phases of tellurene, it is further predicted 31 2D tellurium allotropes combining the particle‐swarm optimization (PSO) searches with density functional theory (DFT) calculations. The corresponding dynamic and thermal stability are examined by both phonon spectrum calculations and ab initio molecular dynamics (AIMD) simulations. Those 2D tellurium allotropes can be well categorized in terms of their intrinsic number of atomic layers, and cohesive energy. It is found that the allotropes with tri‐atomic layers are energetically most favorable, and mainly demonstrate semiconducting feature at larger cohesive energies. Four of the bi‐atomic‐layer allotropes with larger cohesive energies exhibit topological insulating feature, and two with slightly smaller cohesive energies are intrinsic superconductors with critical temperature Tc (≈8 K) competing with their bulk counterpart at high pressure. Interestingly, both topological and superconducting properties can co‐exist in one of those bi‐atomic‐layer allotropes, which is unique in the elemental 2D materials ever reported. The present study enriches the 2D tellurium allotropes and provides a viable platform for exploring novel functionalities for future device applications.
Ultralow Thermal Conductivity in Dual‐Doped n‐Type Bi2Te3 Material for Enhanced Thermoelectric Properties
Authors: Musah Jamal‐Deen , Guo Chen , Novitskii Andrei , Serhiienko Illia , Adesina Ayotunde Emmanuel , Khovaylo Vladimir , Wu Chi‐Man Lawrence , Zapien Juan Antonio , Roy Vellaisamy A. L. 
Published: January 2021

AbstractBismuth chalcogenides are promising materials for thermoelectric (TE) application due to their high power factor (product of the square of the Seebeck coefficient and electrical conductivity). However, their high thermal conductivity is an issue of concern. Single doping has proven to be useful in improving TE performance in recent years. Here, it is shown that dual isovalent doping shows the synergistic effect of thermal conductivity reduction and electron density control. The insertion of large atoms in the layered Bi2Te3 structure distorts the crystal lattice and contributes significantly to phonon scattering. The ultralow thermal conductivity (KT = 0.35 W m−1 K−1 at 473 K) compensates for the low power factor and thus enhances TE performance. The density functional theory electronic structure calculation results reveal deep defects states in the valence band, which influences the electronic transport properties of the system. Therefore, the dual dopants (indium and antimony) show a coupled effect of improvement in the density of state near the Fermi level and reduction in the conduction band minimum, thus enhancing electron density. Numerically, it is demonstrated that the dual doping favors acoustic phonon scattering and thus drastically reduces the thermal conductivity.