bluuebunny/crossref_metadata_2025_split huggingface dataset:
Venous Thromboembolism in Total Hip and Total Knee Arthroplasty
Authors: Simon Samantha J. , Patell Rushad , Zwicker Jeffrey I. , Kazi Dhruv S. , Hollenbeck Brian L. 
Published: December 2023

ImportanceThe optimal pharmacologic thromboprophylaxis agent after total hip and total knee arthroplasty is uncertain and consensus is lacking. Quantifying the risk of postoperative venous thromboembolism (VTE) and bleeding and evaluating comparative effectiveness and safety of the thromboprophylaxis strategies can inform care.ObjectiveTo quantify risk factors for postoperative VTE and bleeding and compare patient outcomes among pharmacological thromboprophylaxis agents used after total hip and knee arthroplasty.Design, Setting, and ParticipantsThis retrospective cohort study used data from a large health care claims database. Participants included patients in the United States with hip or knee arthroplasty and continuous insurance enrollment 3 months prior to and following their surgical procedure. Patients were excluded if they received anticoagulation before surgery, received no postsurgical pharmacological thromboprophylaxis, or had multiple postsurgery thromboprophylactic agents. In a propensity-matched analysis, patients receiving a direct oral anticoagulant (DOAC) were matched with those receiving aspirin.ExposuresAspirin, apixaban, rivaroxaban, enoxaparin, or warfarin.Main Outcomes and MeasuresThe primary outcome was 30-day cumulative incidence of postdischarge VTE. Other outcomes included postdischarge bleeding.ResultsAmong 29 264 patients included in the final cohort, 17 040 (58.2%) were female, 27 897 (95.2%) had inpatient admissions with median (IQR) length of stay of 2 (1-2) days, 10 948 (37.4%) underwent total hip arthroplasty, 18 316 (62.6%) underwent total knee arthroplasty; and median (IQR) age was 59 (55-63) years. At 30 days, cumulative incidence of VTE was 1.19% (95% CI, 1.06%-1.32%) and cumulative incidence of bleeding was 3.43% (95% CI, 3.22%-3.64%). In the multivariate analysis, leading risk factors associated with increased VTE risk included prior VTE history (odds ratio [OR], 5.94 [95% CI, 4.29-8.24]), a hereditary hypercoagulable state (OR, 2.64 [95% CI, 1.32-5.28]), knee arthroplasty (OR, 1.65 [95% CI, 1.29-2.10]), and male sex (OR, 1.34 [95% CI, 1.08-1.67]). In a propensity-matched cohort of 7844 DOAC-aspirin pairs, there was no significant difference in the risk of VTE in the first 30 days after the surgical procedure (OR, 1.14 [95% CI, 0.82-1.59]), but postoperative bleeding was more frequent in patients receiving DOACs (OR, 1.36 [95% CI, 1.13-1.62]).Conclusions and RelevanceIn this cohort study of patients who underwent total hip or total knee arthroplasty, underlying patient risk factors, but not choice of aspirin or DOAC, were associated with postsurgical VTE. Postoperative bleeding rates were lower in patients prescribed aspirin. These results suggest that thromboprophylaxis strategies should be patient-centric and tailored to individual risk of thrombosis and bleeding.
Grow‐contact simulation of hybrid joints for living architectures
Authors: Zhang Tianhao , Kawaguchi Ken'ichi 
Published: December 2023

AbstractHybrid joints consist of living trees and industrial materials are the solutions to realize the living architectures. However, the mechanism of grow‐contact‐swallow behavior remains ambiguous. Some computational graphical methods have struggled to generate the tree geometry. However, physical features such as stiffness were not considered. In this paper, we proposed a grow‐contact simulation method for describing the swallowing process to generate hybrid joints. Our temporal evolution approach is implemented using the Non‐Uniform Rational B‐Spline curves, and the genetic algorithms. We formulate the grow‐contact process as a solution for optimization problem that leads to the state with minimal total generalized potential energy. We conclude that the simulation results explain 4 general contact behaviors, concerning stiffness, and the age of the tree as the mechanical metrics. Especially for swallowing behavior, the three‐dimensional geometry prediction shows potential for the design of hybrid joints for living architectures.
Guided Search to Self‐Healing in Semiconductors
Authors: Py‐Renaudie Alexandre , Soffer Yahel , Singh Pallavi , Kumar Sujit , Ceratti Davide R. , Mualem Yuval , Rosenhek‐Goldian Irit , Oron Dan , Cohen Sidney R. , Schulz Philip , Cahen David , Guillemoles Jean‐François 
Published: December 2023

AbstractSelf‐healing (SH) of (opto)electronic material damage can have a huge impact on resource sustainability. The rising interest in halide perovskite (HaP) compounds over the past decade is due to their excellent semiconducting properties for crystals and films, even if made by low‐temperature solution‐based processing. Direct proof of self‐healing in Pb‐based HaPs is demonstrated through photoluminescence recovery from photodamage, fracture healing and their use as high‐energy radiation and particle detectors. Here, the question of how to find additional semiconducting materials exhibiting SH, in particular lead‐free ones is addressed. Applying a data‐mining approach to identify semiconductors with favorable mechanical and thermal properties, for which Pb HaPs are clear outliers, it is found that the Cs2AuIAuIIIX6, (X = I, Br, Cl) family, which is synthesized and tested for SH. This is the first demonstration of self‐healing of Pb‐free inorganic HaP thin films, by photoluminescence recovery.
Pentagon Defects Accelerating Polysulfides Conversion Enabled High‐Performance Sodium–Sulfur Batteries
Authors: Zheng Fangcai , Zhang Yuhang , Ding Gaohui , Xiao Yue , Wei Lingzhi , Su Jianwei , Wang Changlai , Chen Qianwang , Wang Hui 
Published: December 2023

AbstractPorous carbon materials with high electrical conductivity and superior mechanical strength have been demonstrated to be one of most promising sulfur hosts for room‐temperature sodium–sulfur (RT Na–S) batteries. However, the nonpolar surface of intact graphite lattice displays weak interaction toward the polar polysulfides, thereby resulting in the notorious shuttle effect and poor sulfur conversion kinetics. Herein, pentagon defects are designed into the graphite lattice to break the integrity of π‐conjugation, making the localized electron distribution to simultaneously enhance the polysulfide affinity and accelerate sulfur conversion kinetics. Notably, the as‐synthesized carbon materials as the sulfur host exhibit a high reversible capacity of 1275 mAh g−1 at 0.1 C after 100 cycles and long‐term cycling stability with low‐capacity decay of only 0.035% per cycle at 3 C over 600 cycles. Density functional theory calculations and electrochemical experiments confirm that pentagon defects could efficiently accelerate the chemical interaction between pentagon carbon atoms and polysulfides, and markedly lower the sulfur conversion kinetics in comparison with intact graphene. This research offers a basis for designing intrinsic pentagon defects in carbon materials as efficient catalysts for RT Na–S batteries.
Magnetic Liquid Metals: A Review
Authors: Kim Daeyoung , Jeong Jinwon , Chung Sang Kug , Lee Jeong Bong (JB) 
Published: December 2023

AbstractMagnetic liquid metal (MLM) is a mixture of magnetic particles with gallium‐based liquid metals which utilizes an unconventional combination of fluidity, high thermal/electrical conductivity, biocompatibility, and magnetism. Recently, from materials to applications, studies on MLMs have drastically increased. Single or multiple MLMs can be precisely positioned or can act as a carrier for handling other objects. MLMs are also used in biomedical applications such as cancer treatment by hyperthermia and precision delivery of cancer drugs on tumors, or antibacterial coating which kills bacteria. In electronics applications, MLMs are used for magnetic field‐driven patterning of metallic lines, reconfigurable interconnects, electronic tattoos, and reconfigurable electromagnetic wave shielding. Phase change (solid/liquid) of MLMs adds another unique capability, morphing. A combination of innovations in the micro/nano robots and MLMs has huge potential to bring an unprecedented disruptive technology for a wide variety of applications including self‐morphing shape‐recovery robots, highly localized cancer treatment, and reconfigurable stealth/camouflage, among others. This article comprehensively reviews recent developments in MLMs from the materials to methods of preparation, locomotion of MLMs, their applications, and future outlooks.
Anisotropy in Antimicrobial Bottle Brush Copolymers and Its Influence on Biological Activity
Authors: Lehnen Anne‐Catherine , Kogikoski Sergio , Stensitzki Till , AlSawaf Ahmad , Bapolisi Alain M. , Wolff Martin , De Breuck Jonas , Müller‐Werkmeister Henrike M. , Chiantia Salvatore , Bald Ilko , Leiske Meike N. , Hartlieb Matthias 
Published: December 2023

AbstractAntimicrobial polymers are a promising alternative to conventional antibiotics in the fight against antimicrobial resistance. Cationic bottle brush copolymers have shown to be superior to linear topologies in previous studies. Herein, the aspect ratio of such polymers is varied creating differently shaped confined unimolecular structures with varying degrees of side chain mobility. Using reversible addition‐fragmentation chain‐transfer (RAFT) polymerization, bottle brushes are produced in a one‐pot procedure. The morphology is confirmed by atomic force microscopy. The hydrophobicity, as determined via high performance‐liquid chromatography (HPLC) analysis, is drastically influenced by the topology. Using Fourier‐transform infrared (FTIR) spectroscopy, it is found that polymers with a high side chain mobility and increased global hydrophilicity, are less hydrated, and have stronger intramolecular hydrogen bonds. A phase segregated morphology leading to unimolecular micellization is assumed. Biological tests reveal increased antimicrobial activity for such segregated polymers. Their excellent hemocompatibility results in highly selective antimicrobial polymers whose adaptability seems to be a key feature in their excellent performance. This study highlights the tremendous importance of structural control in antimicrobial polymers.
Neutrophil Function Conversion Driven by Immune Switchpoint Regulator against Diabetes‐Related Biofilm Infections
Authors: Guo Geyong , Liu Zihao , Yu Jinlong , You Yanan , Li Mingzhang , Wang Boyong , Tang Jin , Han Pei , Wu Jianrong , Shen Hao 
Published: December 2023

AbstractReinforced biofilm structures and dysfunctional neutrophils induced by excessive oxidative stress contribute to the refractoriness of diabetes‐related biofilm infections (DRBIs). Herein, in contrast to traditional antibacterial therapies, an immune switchpoint‐driven neutrophil immune function conversion strategy based on a deoxyribonuclease I loaded vanadium carbide MXene (DNase‐I@V2C) nanoregulator is proposed to treat DRBIs via biofilm lysis and redirecting neutrophil functions from NETosis to phagocytosis in diabetes. Owing to its intrinsic superoxide dismutase/catalase‐like activities, DNase‐I@V2C effectively scavenges reactive oxygen species (ROS) in a high oxidative stress microenvironment to maintain the biological activity of DNase‐I. By increasing the depth of biofilm penetration of DNase‐I, DNase‐I@V2C thoroughly degrades extracellular DNA and neutrophil extracellular traps (NETs) in extracellular polymeric substances, thus breaking the physical barrier of biofilms. More importantly, as an immune switchpoint regulator, DNase‐I@V2C can skew neutrophil functions from NETosis toward phagocytosis by intercepting ROS–NE/MPO–PAD4 and activating ROS–PI3K–AKT–mTOR pathways in diabetic microenvironment, thereby eliminating biofilm infections. Biofilm lysis and synergistic neutrophil function conversion exert favorable therapeutic effects on biofilm infections in vitro and in vivo. This study serves as a proof‐of‐principle demonstration of effectively achieving DRBIs with high therapeutic efficacy by regulating immune switchpoint to reverse neutrophil functions.
Electrical Double Layer Formation at Intercalation Cathode–Organic Electrolyte Interfaces During Initial Lithium‐Ion Battery Reactions
Authors: Nakayama Junpei , Zhou Huangkai , Izumi Jun , Watanabe Kenta , Suzuki Kota , Nemoto Fumiya , Yamada Norifumi L. , Kanno Ryoji , Hirayama Masaaki 
Published: December 2023

AbstractInformation on the cathode/organic–electrolyte interface structure provides clues regarding the rate and reversibility of lithium intercalation reactions in lithium‐ion batteries. Herein, structural changes within the LiCoO2 electrode, throughout the interphase region, and in the LiPF6/propylene carbonate electrolyte are observed concurrently by in situ neutron reflectometry. The formation of an electrical double layer (EDL) during the early stages of charging and discharging is investigated and compared with that at an intercalation‐inactive Nb:SrTiO3 electrode. At the intercalation‐inactive interface between Nb:SrTiO3 and the electrolyte, a voltage‐dependent ionic distribution corresponding to the EDL forms on the electrolyte side without the formation of a cathode/electrolyte interphase (CEI) layer. In contrast, at the intercalation‐active LiCoO2/electrolyte interface, a CEI layer forms immediately after cell construction, and the ionic distribution in the electrolyte formed outside the CEI layer scarcely changes upon voltage application. The CEI/electrolyte interface is shielded from potential changes by the electronically insulating CEI; therefore, structural changes in the EDL are restricted. This supports the prevailing understanding that the CEI layer defines the rates of solvation/de‐solvation and adsorption/desorption reactions of lithium ions.
Side‐Chain Engineering of Y‐Series Acceptors with Halogenated End‐Group for Efficient Indoor Organic Photovoltaics
Authors: Saeed Muhammad Ahsan , Xuyao Song , Kim Hyeon Su , Lee Gyeong Min , Ahn Hyungju , Kim Yun‐Hi , Shim Jae Won 
Published: December 2023

AbstractDiverse design strategies for nonfullerene acceptors (NFAs) have aided the development of efficient indoor organic photovoltaics (OPVs) for Internet‐of‐things‐enabled gadgets. However, the side‐chain approach to Y‐series NFAs for fabricating indoor OPVs remains largely unexplored. In this study, the synthesis and photovoltaic characteristics of two side‐chain engineered NFAs with halogenated end‐groups (BTP‐PO‐4F and BTP‐PO‐4Cl) are investigated. NFAs with a Y6 core unit are modified with butyloctyl inner side chains and ethylhexyloxynaphthyl outer side chains. The extended conjugation moiety contributed to red‐shifted absorption, with the chlorination effect presenting a more pronounced influence than fluorination. Further, the outer moiety introduced a slight electron‐withdrawing effect on the Y6 core unit, resulting in energy‐level downshifts. An excellent power conversion efficiency (PCE) of 23.2% is achieved in fluorinated OPVs under a light‐emitting diode lamp (1000 lux). Moreover, integrating the Y6 NFA into the binary blend further enhanced the PCE, reaching 28.3% in PM6:Y6:halogenated NFA ternary OPVs. The panchromatic absorption, high crystallinity, and cascaded energy levels of the ternary blends contribute to achieving a sufficient spectral match and suppress trap‐assisted recombination, ultimately fostering a substantially enhanced fill factor and PCEs under indoor lighting.
Thermal Stability of Schottky Contacts and Rearrangement of Defects in β‐Ga2O3 Crystals
Authors: Seyidov Palvan , Varley Joel B. , Frodason Ymir Kalmann , Klimm Detlef , Vines Lasse , Galazka Zbigniew , Chou Ta‐Shun , Popp Andreas , Irmscher Klaus , Fiedler Andreas 
Published: December 2023

AbstractThe thermal stability of different Schottky contacts (Au, Pt, and Ni) on (100) β‐Ga2O3 single crystals grown by the Czochralski method is investigated. Besides the examination of the Schottky barrier parameters, contact‐dependent defect levels are investigated by deep‐level transient spectroscopy (DLTS) in a 100–650 K (ramp‐up) and 650–100 K (ramp‐down) temperature cycle. Several defect levels are detected below the conduction band minimum at 0.41, 0.60, 0.77, 0.96, and 1.17 eV. In the temperature ramp‐down DLTS, the 1.17 eV level disappears, and the 0.60 eV level appears for all Schottky contacts. DFT calculations suggest that rearrangement and dissociation of a single hydrogen from a doubly‐hydrogenated Ga─O divacancy complex occurs during the temperature sweep under bias. The trap level at 0.96 eV only appears after the thermal load for the Ni contact, in contrast to Au and Pt, where it is present without a thermal budget. Temperature‐dependent leakage current (at −4 V) measurements indicate oxidation of Ni, and further thermodynamic analysis suggests alloying of Au‐Ga atoms at the Au/β‐Ga2O3 interface. These studies provide insight into the behavior induced by these common Schottky contacts and the alteration associated with temperature cycling.
A Low‐Cost Al(OH)3‐Modified Fire‐Retardant and Shuttle‐Limiting Separator for Safe and Stable Lithium–Sulfur Batteries
Authors: Zhou Junhua , Zhang Chi , Xie Chuan , Wang Huimin , Fan Haining , Guo Yanpeng , Wang Chao , Chen Fan , Ding Yichun , Huang Qiyao , Zheng Zijian 
Published: December 2023

AbstractLithium–sulfur battery (LSB) possesses high theoretical energy density, but its poor cycling stability and safety issues significantly restrict progress in practical applications. Herein, a low‐cost and simple Al(OH)3‐based modification of commercial separator, which renders the battery outstanding fire‐retardant and stable cycling, is reported. The modification is carried out by a simple blade coating of an ultrathin composite layer, mainly consisting of Al(OH)3 nanoparticles and conductive carbon, on the cathode side of the separator. The Al(OH)3 shows strong chemical absorption ability toward Lewis‐based polysulfides and outstanding fire retardance through a self‐decomposition mechanism under high heat, while the conductive carbon material acts as a top current collector to prevent dead polysulfide. LSB using the Al(OH)3‐modified separator shows an extremely low average capacity decade per cycle during 1000 cycles at 2 C (0.029%, 1 C = 1600 mA g−1). The pouch cell exhibiting high energy density (426 Wh kg−1) can also steadily cycle for more than 100 cycles with high capacity retention (70.2% at 0.1 C). The effectiveness and accessibility of this Al(OH)3 modification strategy will hasten the practical application progress of LSBs.
Optimization of phosphate fertilizer application strategies to improve phosphorus availability and utilization in maize
Authors: Wang Shulan , Ruan Yihao , Du Mingxue , Sun Wei , Zhang Yinglei , Wang Yongchao , Guo Jiameng , Shao Ruixin , Yang Qinghua , Wang Hao 
Published: December 2023

AbstractThe optimization of phosphate (P) fertilizer application strategies to improve the utilization of P fertilizer in farmlands is urgently required. The objective of this study is to evaluate the effect of P fertilizer application rate and position on maize (Zea maysL.) P utilization. A 2‐year field experiment was conducted with P fertilizer application rate (0, 40, 80, and 120 kg ha−1) and position (5 and 10 cm). Compared with the 5‐cm P position, the 10‐cm P position significantly increased the available phosphorus (AP) content in rhizosphere soil. Surprisingly, the rhizosphere AP content increased or remained the same when the amount of P fertilizer was reduced to 80 kg ha−1at a distance of 5 cm, compared with that when the amount of P fertilizer was 120 kg ha−1at a distance of 10 cm. Additionally, there was also an improvement in the root weight, root number, biomass, and maize yield in the 5‐cm position compared to the 10‐cm position. The P fertilizer use efficiency was significantly increased at the 5‐cm position compared to the 10‐cm P position, with increases of 8.93% and 4.11% (P40), 6.38% and 5.10% (P80), and 4.72% and 2.36% (P120) in 2021 and 2022, respectively. Our results showed that a closer position increased the available P content in rhizosphere soil, promoted maize growth, and improved P fertilizer utilization and maize yield, suggesting that the agronomy method with proper location of P increases the soil P availability in rhizosphere soil and P utilization in maize.
Synthesis and activity of arylcoumarin derivatives with therapeutic effects on diabetic nephropathy
Authors: Pan Yinbo , Zhou Min , Liu Zhenzhen , Hao Canhua , Zhai Jingfang , Liu Ren , Shi Zezhou , Sun Jie , Wang Xiaojing 
Published: December 2023

AbstractIn the literature, daidzein has been reported to exhibit cardiovascular protective effects and hypoglycemic activity in mice. We sought to design and synthesize a novel compound, SJ‐6, an analog of daidzein, with improved hypoglycemic properties. Although SJ‐6 demonstrated favorable hypoglycemic effects, its pharmacokinetic limitations prompted us to design and synthesize prodrugs of SJ‐6. We conducted a comprehensive evaluation of the prodrugs, including in vitro and in vivo studies, such as cytotoxicity, absorption, distribution, metabolism, excretion, and toxicity (ADMET) simulation analysis, in vitro blood–brain barrier (BBB) permeability evaluation, compound effect on insulin resistance, oral glucose tolerance test (OGTT), in vivo plasma concentration testing, acute toxicity test in rats, and long‐term gavage administration experiment. Furthermore, we examined the antidiabetic nephropathy activity of our lead compound, compound 10, which demonstrated superior efficacy compared with the positive control drug, metformin hydrochloride. Our findings suggest that compound 10 represents a promising lead compound for the prevention and treatment of diabetic nephropathy.
Interaction of narcissoside with α‐amylase from Bacillus subtilis and Porcine pancreatic by multi‐spectral analysis and molecular dynamics simulation
Authors: Cui Jingjing , Fan Yangyang , Lian Di , Wang Suqing , Wang Meizi , Du Yutong , Li Yuan , Li Li 
Published: December 2023

AbstractIn this work, interaction mechanism of narcissoside with two α‐amylase from Bacillus subtilis (BSA) and Porcine pancreatic (PPA) are comparatively studied by multi‐spectral analysis, molecular docking and molecular dynamics simulation. The results prove that narcissoside can statically quench fluorescence of BSA/PPA. Two complexes are mainly formed by hydrogen bond and van der Waals force. With the increase of temperature, the two complexes formed by narcissoside and two enzymes become unstable. At the same experimental temperature, the binding force of narcissoside to PPA is higher than that of BSA. The binding of narcissoside to PPA/BSA increases the hydrophobicity of microenvironment. Moreover, the secondary structure of PPA/BSA is mainly changed by decreasing the α‐helix. The optimal binding modes of narcissoside with BSA/PPA are predicted by molecular docking, and the stability of the two complexes is evaluated by molecular dynamics simulations.