bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pain and satisfaction: the case of isolated COVID-19 patients of Pakistan
Authors: Haq Wajiha , Irfan Siddrah , Raza Syed Hassan , Ahmed Waqar , Alam Mian , Wasif Samia , Malik Muhammad Wasif , Ahmad Saeed 
Published: August 2021

BackgroundOver 3 million people lost their lives across the globe due to the COVID-19 related pandemic. The unprecedented restrictions on mobility have imposed in the form of isolation, quarantines, and lockdowns to curb the profound effects of the pandemic and retain physical health. This study examined the relationship between various pain levels, demographic variables and patient satisfaction with COVID-19 during isolation.MethodsThe primary data in this study were collected from isolated patients during their isolation and treatment in a public hospital. We obtained information from patients with COVID-19 (N = 100) about their demographic characteristics, varying levels of pain, and satisfaction with the services provided during the isolation period. We computed the descriptive statistics to explain the profile of participants, ANOVA was used to find out the difference between various groups on patient satisfaction, and structural equation modeling was performed to examine the link between pain levels, demographic factors, and patient satisfaction. This analysis was performed with STATA and SmartPLS-3.ResultsThe findings of this study ascertained that respondent’s education (Beta, β = 2.961,p = 0.003), assets such as possession of a house (β = 4.563,p = 0.000), perception of income adequacy during the lockdown (=2.299,p = 0.022), and negligence in prevention (β = 1.975,p = 0.049) significantly affects patient satisfaction during the isolation period. Moreover, satisfaction with life, physicians and medicine, income adequacy, and fear of the participants was significantly linked to the pain level (Model F-stat = 86.323,p = 0.0001). Patients who were satisfied with their treatment had significantly lower odds of having pain (OR 0.023, 95% CI [0.001–0.0452]). Patients who had enough income to meet their basic necessities were found to have significantly lower odds of having pain (OR 0.155, 95% CI [0.032–0.740].Discussion and ConclusionWe conclude that a higher level of education, low income, and living in a rented house contributes significantly to the feeling of more satisfaction with the provided services. This implies that people with more affluent backgrounds are less likely to be satisfied with the provided services as low-income and living in rented house groups are more satisfied during isolation than others. The pain level is also affected by subjective factors such as fear and satisfaction which need to be considered while doing patient management. This study can be helpful in improving the delivery of public services of isolation centers by considering various characteristics and demographic factors of patients.
Additive Manufacturing of 3D Aerogels and Porous Scaffolds: A Review
Authors: Tetik Halil , Wang Ying , Sun Xiao , Cao Daxian , Shah Nasrullah , Zhu Hongli , Qian Fang , Lin Dong 
Published: August 2021

AbstractAerogels are highly porous structures produced by replacing the liquid solvent of a gel with air without causing a collapse in the solid network. Unlike conventional fabrication methods, additive manufacturing (AM) has been applied to fabricate 3D aerogels with customized geometries specific to their applications, designed pore morphologies, multimaterial structures, etc. To date, three major AM technologies (extrusion, inkjet, and stereolithography) followed by a drying process have been proposed to additively manufacture 3D functional aerogels. 3D‐printed aerogels and porous scaffolds showed great promise for a variety of applications, including tissue engineering, electrochemical energy storage, controlled drug delivery, sensing, and soft robotics. In this review, the details of steps included in the AM of aerogels and porous scaffolds are discussed, and a general frame is provided for AM of those. Then, the different postprinting processes are addressed to achieve the porosity (after drying); and mechanical strength, functionality, or both (after postdrying thermal or chemical treatments) are provided. Furthermore, the applications of the 3D‐printed aerogels/porous scaffolds made from a variety of materials are also highlighted. The review is concluded with the current challenges and an outlook for the next generation of 3D‐printed aerogels and porous scaffolds.
High Thermoelectric Performance of ZnO by Coherent Phonon Scattering and Optimized Charge Transport
Authors: Acharya Somnath , Yu Byung‐Kyu , Hwang Junphil , Kim Jiyong , Kim Woochul 
Published: August 2021

AbstractZnO is identified as a potentially attractive n‐type oxide thermoelectric material due to its abundance, nontoxicity, and a high degree of stability. However, working with ZnO is challenging due to its high thermal conductivity from its strong ionic bonds and low electrical conductivity due to its low charge concentrations. Here, it is demonstrated that the electrical and thermal transport properties of ZnO can be simultaneously improved via the successful doping of Al and ZnS coating. The ZnS coating in Al‐doped ZnO is observed and analyzed through microstructure and spectroscopic studies. The power factor for 1% ZnS‐coated Zn0.98Al0.02O is increased to ≈0.75 mW m−1K−2at 1073 K, 161% higher than pure ZnO. This enhancement in the power factor can be explained by the aliovalent Al3+doping and modifications in intrinsic defects, leading to an increased carrier concentration. Interestingly, ZnS coating significantly reduces lattice thermal conductivity to ≈2.31 W m−1K−1at 1073 K for 2% ZnS‐coated Zn0.98Al0.02O, a 62% decrease over pure ZnO. This large reduction in lattice thermal conductivity can be elucidated based on coherent phonon scattering via Callaway's model. Overall, the figure of merit,zT, increases to 0.2 in 2% ZnS‐coated Zn0.98Al0.02O, which is 272% higher than pure ZnO at 1073 K.
Hydrophilicity‐Hydrophobicity Transformation, Thermoresponsive Morphomechanics, and Crack Multifurcation Revealed by AIEgens in Mechanically Strong Hydrogels
Authors: Hu Yubing , Barbier Lucile , Li Zhao , Ji Xiaofan , Le Blay Heiva , Hourdet Dominique , Sanson Nicolas , Lam Jacky W. Y. , Marcellan Alba , Tang Ben Zhong 
Published: August 2021

AbstractBiomimetic exploration of stimuli‐responsive and crack‐resistant hydrogels is of great academic and practical significance, although the rational design of tough hydrogels is limited by insufficient mechanism study due to the lack of imaging techniques to “see” hydrogels at mesoscale level. A series of composite hydrogels with compartmentalized thermal response is designed by incorporating aggregation‐ and polarity‐sensitive fluorescent probes in a poly(N‐isopropylacrylamide) (PNIPAM) network grafted with poly(N,N‐dimethylacrylamide) side‐chains. The fluorescence technique is explored as a powerful tool to directly visualize their hydrophilicity‐hydrophobicity transformation and the composition‐dependent microphase separation. Based on the morphological observation and mechanical measurements, the concept of morphomechanics with a comprehensive mechanism clarification is proposed. In this regard, the thermoresponsive toughening is attributed to the formation of multiple noncovalent interactions and the conformational changes of PNIPAM chains. The enhanced fracture energy by crack multifurcation is related to the tearing‐like disruption of weak interfaces between the separated phases.
High‐Throughput Discovery of Novel Cubic Crystal Materials Using Deep Generative Neural Networks
Authors: Zhao Yong , Al‐Fahdi Mohammed , Hu Ming , Siriwardane Edirisuriya M. D. , Song Yuqi , Nasiri Alireza , Hu Jianjun 
Published: August 2021

AbstractHigh‐throughput screening has become one of the major strategies for the discovery of novel functional materials. However, its effectiveness is severely limited by the lack of sufficient and diverse materials in current materials repositories such as the open quantum materials database (OQMD). Recent progress in deep learning have enabled generative strategies that learn implicit chemical rules for creating hypothetical materials with new compositions and structures. However, current materials generative models have difficulty in generating structurally diverse, chemically valid, and stable materials. Here we propose CubicGAN, a generative adversarial network (GAN) based deep neural network model for large scale generative design of novel cubic materials. When trained on 375 749 ternary materials from the OQMD database, the authors show that the model is able to not only rediscover most of the currently known cubic materials but also generate hypothetical materials of new structure prototypes. A total of 506 such materials have been verified by phonon dispersion calculation. Considering the importance of cubic materials in wide applications such as solar panels, the GAN model provides a promising approach to significantly expand existing materials repositories, enabling the discovery of new functional materials via screening. The new crystal structures discovered are freely accessible at www.carolinamatdb.org.
Real‐Time Internal Steam Pop Detection during Radiofrequency Ablation with a Radiofrequency Ablation Needle Integrated with a Temperature and Pressure Sensor: Preclinical and Clinical Pilot Tests
Authors: Park Jaeho , Cha Dong Ik , Jeong Yongrok , Park Hayan , Lee Jinwoo , Kang Tae Wook , Lim Hyo Keun , Park Inkyu 
Published: August 2021

AbstractA radiofrequency ablation (RFA) needle integrated with a temperature sensor (T‐sensor) and pressure sensor (P‐sensor) is designed and utilized for real‐time internal steam pop monitoring during RFA. The characteristics of the sensor‐integrated RFA needle (sRFA‐needle) are investigated quantitatively using a pressure chamber system, and the feasibility and usability of the needle in preclinical and clinical trials is demonstrated. The sharp changes in the temperature and normalized pressure sensor signals induced by the abrupt release of hot and high‐pressure steam can be clearly monitored during the steam pop phenomena. The basic mechanism of the preliminary steam pop is hypothesized and verified using in situ ultrasound imaging data and computational analysis data of the RFA procedure. Moreover, the usability of the system in clinical trials is investigated, and the steam pop phenomena during the RFA procedure are detected using T‐sensor and P‐sensor. The results confirm that the sensor integration on the medical needle can provide critical data for safer and more effective medical practices.
A Nickel‐Decorated Carbon Flower/Sulfur Cathode for Lean‐Electrolyte Lithium–Sulfur Batteries
Authors: Tsao Yuchi , Gong Huaxin , Chen Shucheng , Chen Gan , Liu Yunzhi , Gao Theodore Z. , Cui Yi , Bao Zhenan 
Published: August 2021

AbstractLithium–sulfur (Li–S) batteries involve a reversible conversion reaction between sulfur and lithium sulfide (Li2S) via a series of soluble lithium polysulfide intermediates (LiPSs), enabling a high theoretical specific capacity of 1675 mAh g–1. However, this process exhibits large polarization and low sulfur utilization and suffers critical capacity fade. The primary approach to tackle the problem has so far been to infiltrate sulfur into nanostructured carbon. However, most studies using porous carbon as host materials have tested with high electrolyte to sulfur ratios (E/S) (generally > 15 µL mg−1) that compromise the cell‐level energy density. Here, a flower‐shaped porous carbon structure with nickel nanoparticles that can address the problems discussed above is designed. First, the 3D flower‐shaped carbon structure enables short ionic transport lengths. Second, the small pore diameters <10 nm and high specific surface areas > 3300 m2 g−1 with sufficient pore volume are ideal for charging performance for low E/S ratios. Finally, Ni nanoparticles are employed onto the flower‐shaped network to improve the reaction kinetics. Collectively, it is successfully demonstrated that the batteries with a high mass loading of 5 mg cm−2 and a 5 µL mg−1 E/S ratio can retain cycle retention of 70% after 150 cycles.
A Versatile Li6.5In0.25P0.75S5I Sulfide Electrolyte Triggered by Ultimate‐Energy Mechanical Alloying for All‐Solid‐State Lithium Metal Batteries
Authors: Jiang Zhao , Peng Hongling , Liu Yu , Li Zhongxu , Zhong Yu , Wang Xiuli , Xia Xinhui , Gu Changdong , Tu Jiangping 
Published: August 2021

AbstractSulfide solid electrolytes (SSEs) have captured plentiful interest on account of their high ionic conductivity and appropriate mechanical strength. However, the poor air stability and cost‐intensive preparation process of SSEs limit their applications. Herein, a novel ultimate‐energy mechanical alloying (UEMA) approach is applied to rapidly synthesize the argyrodite‐type electrolytes in a one‐pot process. According to the hard‐soft‐acid‐base theory and the first‐principles density functional theory (DFT) calculation, In‐doping in Li6PS5I is attempted to enhance air stability and the experimental results demonstrate the success of this approach. The synthesized Li6.5In0.25P0.75S5I electrolyte has a high ionic conductivity (1.06 mS cm–1), and also presents excellent interfacial stability against Li metal, benefiting from the formation of a LiI‐rich interphase layer. The assembled Li–S battery with Li6.5In0.25P0.75S5I as an interlayer delivers a high discharge capacity (954 mAh g–1) and presents the capacity retention of 96% after 200 cycles. The In‐doped Li6PS5I is a novel promising electrolyte with high air stability and ionic conductivity for the application of all‐solid‐state lithium metal batteries.
Capture of dilute methane with a novel dynamic‐feed dual‐reflux pressure swing adsorption process
Authors: Guo Yalou , Hu Guoping , Chen Kaifei , Guo Jining , Webley Paul A. , Li Gang Kevin 
Published: August 2021

AbstractDual‐reflux pressure swing adsorption (DR‐PSA) is a state‐of‐art adsorption technology claiming to achieve both high product purity and recovery. However, its performance is inevitably limited by the gas mixing problem at the feed inlet position in adsorption columns, where a discontinuity in the columns' axial concentration profiles disturbs the separation. Here, we developed a dynamic‐feed DR‐PSA (DF‐DR‐PSA) process to solve the mixing problem and obtain better separation performance by introducing multiple feed inlets along the column. The DF‐DR‐PSA process was demonstrated by enrichment methane (CH4) from a binary gas mixture containing 2.4 mol.% CH4 in nitrogen (N2) using activated carbon material. Non‐isothermal dynamic models were constructed to investigate the effects of operating parameters on the separation performance. The results showed the DF‐DR‐PSA process achieved both higher methane purity (53.5% vs. 47.5%) and recovery (81.1% vs. 72.2%) over the conventional DR‐PSA process at the same energy consumption.
Development of TP53 mutations over the course of therapy for acute myeloid leukemia
Authors: Alwash Yasmin , Khoury Joseph D. , Tashakori Mehrnoosh , Kanagal‐Shamanna Rashmi , Daver Naval , Ravandi Farhad , Kadia Tapan M. , Konopleva Marina , Dinardo Courtney D. , Issa Ghayas C. , Loghavi Sanam , Takahashi Koichi , Jabbour Elias , Guerra Veronica , Kornblau Steven , Kantarjian Hagop , Short Nicholas J. 
Published: August 2021

AbstractTP53 mutations in acute myeloid leukemia (AML) are associated with resistance to standard treatments and dismal outcomes. The incidence and prognostic impact of the emergence of newly detectable TP53 mutations over the course of AML therapy has not been well described. We retrospectively analyzed 200 patients with newly diagnosed TP53 wild type AML who relapsed after or were refractory to frontline therapy. Twenty‐nine patients (15%) developed a newly detectable TP53 mutation in the context of relapsed/refractory disease. The median variant allelic frequency (VAF) was 15% (range, 1.1%–95.6%). TP53 mutations were more common after intensive therapy versus lower‐intensity therapy (23% vs. 10%, respectively; p = 0.02) and in patients who had undergone hematopoietic stem cell transplant versus those who had not (36% vs. 12%, respectively; p = 0.005). Lower TP53 VAF was associated with an increased likelihood of complete remission (CR) or CR with incomplete hematologic recovery (CRi) compared to higher TP53 VAF (CR/CRi rate of 41% for VAF < 20% vs. 13% for VAF ≥ 20%, respectively). The median overall survival (OS) after acquisition of TP53 mutation was 4.6 months, with a 1‐year OS rate of 19%. TP53 VAF at relapse was significantly associated with OS; the median OS of patients with TP53 VAF ≥ 20% was 3.5 months versus 6.1 months for those with TP53 VAF < 20% (p < 0.05). In summary, new TP53 mutations may be acquired throughout the course of AML therapy. Sequential monitoring for TP53 mutations is likely to be increasingly relevant in the era of emerging TP53‐targeting therapies for AML.
Microwave‐Assisted Diversity‐Oriented Synthesis of Thiazol‐2(3H)‐ones and Its Interaction with Biomacromolecules
Authors: Preeti  , Kumar Mahesh , Jaiswal Anjali , Nand Singh Krishna 
Published: August 2021

AbstractAn expeditious catalyst‐free heteroannulation has been accomplished to access functionalized thiazol‐2(3H)‐ones by the reaction of isothiocyanates and 2‐bromoketones in EtOH under controlled microwave irradiation heating. The synthetic strategy is simple, straightforward, and offers two points of structural diversity to expand the product versatility. Further, the biological relevance of the synthesized thiazol‐2(3H)‐ones has been examined for their possible use as putative acetylcholinesterase inhibitors through molecular docking analysis.
Facet‐Dependent Oxidative Strong Metal‐Support Interactions of Palladium–TiO2 Determined by In Situ Transmission Electron Microscopy
Authors: Tang Min , Li Songda , Chen Shiyuan , Ou Yang , Hiroaki Matsumoto , Yuan Wentao , Zhu Beien , Yang Hangsheng , Gao Yi , Zhang Ze , Wang Yong 
Published: August 2021

AbstractThe strong metal‐support interaction (SMSI) is widely used in supported metal catalysts and extensive studies have been performed to understand it. Although considerable progress has been achieved, the surface structure of the support, as an important influencing factor, is usually ignored. We report a facet‐dependent SMSI of Pd‐TiO2 in oxygen by using in situ atmospheric pressure TEM. Pd NPs supported on TiO2 (101) and (100) surfaces showed encapsulation. In contrast, no such cover layer was observed in Pd‐TiO2 (001) catalyst under the same conditions. This facet‐dependent SMSI, which originates from the variable surface structure of the support, was demonstrated in a probe reaction of methane combustion catalyzed by Pd‐TiO2. Our discovery of the oxidative facet‐dependent SMSI gives direct evidence of the important role of the support surface structure in SMSI and provides a new way to tune the interaction between metal NPs and the support as well as catalytic activity.
Catalytic Asymmetric Darzens‐Type Epoxidation of Diazoesters: Highly Enantioselective Synthesis of Trisubstituted Epoxides
Authors: Nam Dong Guk , Shim Su Yong , Jeong Hye‐Min , Ryu Do Hyun 
Published: August 2021

AbstractHighly enantioselective Darzens‐type epoxidation of diazoesters with glyoxal derivatives was accomplished using a chiral boron–Lewis acid catalyst, which facilitated asymmetric synthesis of trisubstituted α,β‐epoxy esters. In the presence of a chiral oxazaborolidinium ion catalyst, the reaction proceeded in high yield (up to 99 %) with excellent enantio‐ and diastereoselectivity (up to >99 % ee and >20:1 dr, respectively). The synthetic potential of this method was illustrated by conversion of the products to various compounds such as epoxy γ‐butyrolactone, tertiary β‐hydroxy ketone and epoxy diester.
Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase
Authors: Chen Xiabin , Deng Xingyu , Zhang Yun , Wu Yanan , Yang Kang , Li Qiang , Wang Jiye , Yao Weixuan , Tong Junsen , Xie Tian , Hou Shurong , Yao Jianzhuang 
Published: August 2021

AbstractBenzoylecgonine (BZE) is the major toxic metabolite of cocaine and is responsible for the long‐term cocaine‐induced toxicity owing to its long residence time in humans. BZE is also the main contaminant following cocaine consumption. Here, we identified the bacterial cocaine esterase (CocE) as a BZE‐metabolizing enzyme (BZEase), which can degrade BZE into biological inactive metabolites (ecgonine and benzoic acid). CocE was redesigned by a reactant‐state‐based enzyme design theory. An encouraging mutant denoted as BZEase2, presented a >400‐fold improved catalytic efficiency against BZE compared with wild‐type (WT) CocE. In vivo, a single dose of BZEase2 (1 mg kg−1, IV) could eliminate nearly all BZE within only two minutes, suggesting the enzyme has the potential for cocaine overdose treatment and BZE elimination in the environment by accelerating BZE clearance. The crystal structure of a designed BZEase was also determined.
Global finite‐time stabilization of a class of perturbed planar systems with actuator saturation and disturbances
Authors: Su Yuxin , Zheng Chunhong , Mercorelli Paolo 
Published: August 2021

AbstractThis paper addresses the problem of global finite‐time stabilization for a class of planar nonlinear systems subject to actuator saturation and bounded disturbances. A singularity‐free integral sliding mode surface is first developed by geometric homogeneity technique and then a simple saturated robust control is proposed. Global finite‐time stabilization is proved with geometric homogeneity technique and Lyapunov's stability theory. The conditions on control gains ensuring global finite‐time stability and avoidance of actuator saturation are explicitly given. Advantages of the proposed control include simple and intuitive structure, global finite‐time stability featuring faster transient and higher steady‐state stabilization, and the ability to avoid actuator saturation by selecting the control gains a priori. Simulations show the improved performance of the proposed approach.
Rebuilding relationships on coral reefs: Coral bleaching knowledge‐sharing to aid adaptation planning for reef users
Authors: Ainsworth Tracy D. , Leggat William , Silliman Brian R. , Lantz Coulson A. , Bergman Jessica L. , Fordyce Alexander J. , Page Charlotte E. , Renzi Juliana J. , Morton Joseph , Eakin C. Mark , Heron Scott F. 
Published: August 2021

AbstractCoral bleaching has impacted reefs worldwide and the predictions of near‐annual bleaching from over two decades ago have now been realized. While technology currently provides the means to predict large‐scale bleaching, predicting reef‐scale and within‐reef patterns in real‐time for all reef users is limited. In 2020, heat stress across the Great Barrier Reef underpinned the region's third bleaching event in 5 years. Here we review the heterogeneous emergence of bleaching across Heron Island reef habitats and discuss the oceanographic drivers that underpinned variable bleaching emergence. We do so as a case study to highlight how reef end‐user groups who engage with coral reefs in different ways require targeted guidance for how, and when, to alter their use of coral reefs in response to bleaching events. Our case study of coral bleaching emergence demonstrates how within‐reef scale nowcasting of coral bleaching could aid the development of accessible and equitable bleaching response strategies on coral reefs. Also see the video abstract here: https://youtu.be/N9Tgb8N-vN0