bluuebunny/crossref_metadata_2025_split huggingface dataset:
Regulating the Lithium Ions’ Local Coordination Environment through Designing a COF with Single Atomic Co Site to Achieve Dendrite‐Free Lithium‐Metal Batteries
Authors: Zhang Conghui , Xie Jiyang , Zhao Changtai , Yang Yongxin , An Qi , Mei Zhiyuan , Xu Qijun , Ding Yuqing , Zhao Genfu , Guo Hong 
Published: June 2023

AbstractThe detrimental growth of lithium dendrites and unstable solid electrolyte interphase (SEI) inhibit the practical application of lithium‐metal batteries. Herein, atomically dispersed cobalt coordinate conjugated bipyridine‐rich covalent organic framework (sp2c‐COF) is explored as an artificial SEI on the surface of the Li‐metal anode to resolve these issues. The single Co atoms confined in the structure of COF enhance the number of active sites and promote electron transfer to the COF. The synergistic effects of the Co─N coordination and strong electron‐withdrawing cyano‐group can adsorb the electron from the donor (Co) at a maximum and create an electron‐rich environment, hence further regulating the Li+ local coordination environment and achieving uniform Li‐nucleation behavior. Furthermore, in situ technology and density functional theory calculations reveal the mechanism of the sp2c‐COF‐Co inducing Li uniform deposition and promoting Li+ rapid migration. Based on these advantages, the sp2c‐COF‐Co modified Li anode exhibits a low Li‐nucleation barrier of 8 mV, and excellent cycling stability of 6000 h.
Advancing Glycan Analysis: A New Platform Integrating SERS, Boronic Acids, and Machine Learning Algorithms
Authors: Hu Qiang , Kuai Dacheng , Park Hyundo , Clark Haley , Balbuena Perla B. , Kwon Joseph Sang‐Il , Wu Hung‐Jen 
Published: June 2023

AbstractGlycans are the most abundant fundamental biomolecules, but profiling glycans is challenging due to their structural complexity. To address this, a novel glycan detection platform is developed by integrating surface‐enhanced Raman spectroscopy (SERS), boronic acid receptors, and machine learning tools. Boronic acid receptors bind with glycans, and the reaction influences molecular vibrations, leading to unique Raman spectral patterns. Unlike prior studies that focus on designing a boronic acid with high binding selectivity toward a target glycan, this sensor is designed to analyze overall changes in spectral patterns using machine learning algorithms. For proof‐of‐concept, 4‐mercaptophenylboronic acid (4MBA) and 1‐thianthrenylboronic acid (1TBA) are used for glycan detection. The sensing platform successfully recognizes the stereoisomers and the structural isomers with different glycosidic linkages. The collective spectra that combine the spectra from both boronic acid receptors improve the performance of the support vector machine model due to the enrichment of the structural information of glycans. In addition, this new sensor could quantify the mole fraction of sialic acid in lactose background using the machine learning regression technique. This low‐cost, rapid, and highly accessible sensor will provide the scientific community with another option for frequent comparative glycan screening in standard biological laboratories.
How Does Temporal and Sequential Delivery of Multiple Growth Factors Affect Vascularization Inside 3D Hydrogels?
Authors: Bastard Céline , Günther Daniel , Gerardo‐Nava José , Dewerchin Mieke , Sprycha Peter , Licht Christopher , Lüken Arne , Wessling Matthias , De Laporte Laura 
Published: June 2023

AbstractVasculogenesis and angiogenesis are leveraged by orchestrated secretion of several growth factors. Mimicking this process in vitro can maximize vascularization inside 3D cell cultures. While the role of individual growth factors, such as vascular endothelial growth factor, Ephrin‐B2, angiopoietins, and platelet‐derived growth factor‐BB (PDGF‐BB) is well studied, the temporal influence of growth factor secretion, and the effect of their concentrations and combinations on in vitro vascularization inside hydrogels, have not been systematically investigated. Here, combinations of angiopoietin‐1, angiopoietin‐2, and PDGF‐BB improve vascularization of a human umbilical vein endothelial cells‐fibroblast coculture inside polyethylene glycol‐based hydrogels the most, while the optimal concentrations and time points of growth factor addition are determined. Moreover, fibroblasts, pericytes, and mesenchymal stem cells (MSCs) are compared as supporting cells, of which MSCs best promote vascularization in coculture. Additionally, the resulting blood vessels align with magnetically oriented rod‐shaped microgels when cultured inside the Anisogel. To mimic fibrosis, transforming growth factor‐beta is added, resulting in significantly smaller vessels and more collagen secretion. This in vitro study reveals that a cascade of growth factors can improve vascular formation in 3D hydrogels, which is important to create viable tissue‐engineered constructs for therapies and in vitro healthy and diseased tissue models.
LncRNA ARGI Contributes to Virus‐Induced Pancreatic β Cell Inflammation Through Transcriptional Activation of IFN‐Stimulated Genes
Authors: González‐Moro Itziar , Garcia‐Etxebarria Koldo , Mendoza Luis Manuel , Fernández‐Jiménez Nora , Mentxaka Jon , Olazagoitia‐Garmendia Ane , Arroyo María Nicol , Sawatani Toshiaki , Moreno‐Castro Cristina , Vinci Chiara , Op de Beek Anne , Cnop Miriam , Igoillo‐Esteve Mariana , Santin Izortze 
Published: June 2023

AbstractType 1 diabetes (T1D) is a complex autoimmune disease that develops in genetically susceptible individuals. Most T1D‐associated single nucleotide polymorphisms (SNPs) are located in non‐coding regions of the human genome. Interestingly, SNPs in long non‐coding RNAs (lncRNAs) may result in the disruption of their secondary structure, affecting their function, and in turn, the expression of potentially pathogenic pathways. In the present work, the function of a virus‐induced T1D‐associated lncRNA named ARGI (Antiviral Response Gene Inducer) is characterized. Upon a viral insult, ARGI is upregulated in the nuclei of pancreatic β cells and binds to CTCF to interact with the promoter and enhancer regions of IFNβ and interferon‐stimulated genes, promoting their transcriptional activation in an allele‐specific manner. The presence of the T1D risk allele in ARGI induces a change in its secondary structure. Interestingly, the T1D risk genotype induces hyperactivation of type I IFN response in pancreatic β cells, an expression signature that is present in the pancreas of T1D patients. These data shed light on the molecular mechanisms by which T1D‐related SNPs in lncRNAs influence pathogenesis at the pancreatic β cell level and opens the door for the development of therapeutic strategies based on lncRNA modulation to delay or avoid pancreatic β cell inflammation in T1D.
Surface Modification of Super Arborized Silica for Flexible and Wearable Ultrafast‐Response Strain Sensors with Low Hysteresis
Authors: Han Shaowei , Tan Huanhuan , Wei Jia , Yuan Hang , Li Songwei , Yang Peipei , Mi Haoyang , Liu Chuntai , Shen Changyu 
Published: June 2023

AbstractConductive hydrogels exhibit high potential in the fields of wearable sensors, healthcare monitoring, and e‐skins. However, it remains a huge challenge to integrate high elasticity, low hysteresis, and excellent stretch‐ability in physical crosslinking hydrogels. This study reports the synthesis of polyacrylamide (PAM)‐3‐(trimethoxysilyl) propyl methacrylate‐grafted super arborized silica nanoparticle (TSASN)‐lithium chloride (LiCl) hydrogel sensors with high elasticity, low hysteresis, and excellent electrical conductivity. The introduction of TSASN enhances the mechanical strength and reversible resilience of the PAM‐TSASN‐LiCl hydrogels by chain entanglement and interfacial chemical bonding, and provides stress‐transfer centers for external‐force diffusion. These hydrogels show outstanding mechanical strength (a tensile stress of 80–120 kPa, elongation at break of 900‐1400%, and dissipated energy of 0.8–9.6 kJ m−3), and can withstand multiple mechanical cycles. LiCl addition enables the PAM‐TSASN‐LiCl hydrogels to exhibit excellent electrical properties with an outstanding sensing performance (gauge factor = 4.5), with rapid response (210 ms) within a wide strain‐sensing range (1–800%). These PAM‐TSASN‐LiCl hydrogel sensors can detect various human‐body movements for prolonged durations of time, and generate stable and reliable output signals. The hydrogels fabricated with high stretch‐ability, low hysteresis, and reversible resilience, can be used as flexible wearable sensors.
TP53RK Drives the Progression of Chronic Kidney Disease by Phosphorylating Birc5
Authors: Wu Mengqiu , Jin Qianqian , Xu Xinyue , Fan Jiaojiao , Chen Weiyi , Miao Mengqiu , Gu Ran , Zhang Shengnan , Guo Yan , Huang Songming , Zhang Yue , Zhang Aihua , Jia Zhanjun 
Published: June 2023

AbstractRenal fibrosis is a common characteristic of various chronic kidney diseases (CKDs) driving the loss of renal function. During this pathological process, persistent injury to renal tubular epithelial cells and activation of fibroblasts chiefly determine the extent of renal fibrosis. In this study, the role of tumor protein 53 regulating kinase (TP53RK) in the pathogenesis of renal fibrosis and its underlying mechanisms is investigated. TP53RK is upregulated in fibrotic human and animal kidneys with a positive correlation to kidney dysfunction and fibrotic markers. Interestingly, specific deletion of TP53RK either in renal tubule or in fibroblasts in mice can mitigate renal fibrosis in CKD models. Mechanistic investigations reveal that TP53RK phosphorylates baculoviral IAP repeat containing 5 (Birc5) and facilitates its nuclear translocation; enhanced Birc5 displays a profibrotic effect possibly via activating PI3K/Akt and MAPK pathways. Moreover, pharmacologically inhibiting TP53RK and Birc5 using fusidic acid (an FDA‐approved antibiotic) and YM‐155(currently in clinical phase 2 trials) respectively both ameliorate kidney fibrosis. These findings demonstrate that activated TP53RK/Birc5 signaling in renal tubular cells and fibroblasts alters cellular phenotypes and drives CKD progression. A genetic or pharmacological blockade of this axis serves as a potential strategy for treating CKDs.
In‐Grain Ferroelectric Switching in Sub‐5 nm Thin Al0.74Sc0.26N Films at 1 V
Authors: Schönweger Georg , Wolff Niklas , Islam Md Redwanul , Gremmel Maike , Petraru Adrian , Kienle Lorenz , Kohlstedt Hermann , Fichtner Simon 
Published: June 2023

AbstractAnalog switching in ferroelectric devices promises neuromorphic computing with the highest energy efficiency if limited device scalability can be overcome. To contribute to a solution, one reports on the ferroelectric switching characteristics of sub‐5 nm thin Al0.74Sc0.26N films grown on Pt/Ti/SiO2/Si and epitaxial Pt/GaN/sapphire templates by sputter‐deposition. In this context, the study focuses on the following major achievements compared to previously available wurtzite‐type ferroelectrics: 1) Record low switching voltages down to 1 V are achieved, which is in a range that can be supplied by standard on‐chip voltage sources. 2) Compared to the previously investigated deposition of ultrathin Al1−xScxN films on epitaxial templates, a significantly larger coercive field (Ec) to breakdown field ratio is observed for Al0.74Sc0.26N films grown on silicon substrates, the technologically most relevant substrate‐type. 3) The formation of true ferroelectric domains in wurtzite‐type materials is for the first time demonstrated on the atomic scale by scanning transmission electron microscopy (STEM) investigations of a sub‐5 nm thin partially switched film. The direct observation of inversion domain boundaries (IDB) within single nm‐sized grains supports the theory of a gradual domain‐wall driven switching process in wurtzite‐type ferroelectrics. Ultimately, this should enable the analog switching necessary for mimicking neuromorphic concepts also in highly scaled devices.
Celastrol Combats Methicillin‐Resistant Staphylococcus aureus by Targeting Δ1‐Pyrroline‐5‐Carboxylate Dehydrogenase
Authors: Yuan Zhongwei , Wang Jun , Qu Qianwei , Zhu Zhenxin , Xu Marc , Zhao Mengmeng , Sun Chongxiang , Peng Haixin , Huang Xingyu , Dong Yue , Dong Chunliu , Zheng Yadan , Yuan Shuguang , Li Yanhua 
Published: June 2023

AbstractThe emergence and rapid spread of methicillin‐resistant Staphylococcus aureus (MRSA) raise a critical need for alternative therapeutic options. New antibacterial drugs and targets are required to combat MRSA‐associated infections. Based on this study, celastrol, a natural product from the roots of Tripterygium wilfordii Hook. f., effectively combats MRSA in vitro and in vivo. Multi‐omics analysis suggests that the molecular mechanism of action of celastrol may be related to Δ1‐pyrroline‐5‐carboxylate dehydrogenase (P5CDH). By comparing the properties of wild‐type and rocA‐deficient MRSA strains, it is demonstrated that P5CDH, the second enzyme of the proline catabolism pathway, is a tentative new target for antibacterial agents. Using molecular docking, bio‐layer interferometry, and enzyme activity assays, it is confirmed that celastrol can affect the function of P5CDH. Furthermore, it is found through site‐directed protein mutagenesis that the Lys205 and Glu208 residues are key for celastrol binding to P5CDH. Finally, mechanistic studies show that celastrol induces oxidative stress and inhibits DNA synthesis by binding to P5CDH. The findings of this study indicate that celastrol is a promising lead compound and validate P5CDH as a potential target for the development of novel drugs against MRSA.
Potential of Transition Metal Dichalcogenide Transistors for Flexible Electronics Applications
Authors: Piacentini Agata , Daus Alwin , Wang Zhenxing , Lemme Max C. , Neumaier Daniel 
Published: June 2023

AbstractSemiconducting transition metal dichalcogenides (TMDC) are 2D materials, combining good charge carrier mobility, ultimate dimension down‐scalability, and low‐temperature integration. These properties make TMDCs interesting for flexible electronics, where the thermal fabrication budget is strongly substrate limited. In this perspective, an overview of the state of TMDC research is provided by evaluating two scenarios, both with their own merit depending on the target application. First, high‐quality chemically grown 2D TMDCs are promising for nanoscale high‐performance and high‐frequency devices with excellent gate control and high current on/off ratios. Second, TMDC thin films can also be solution deposited from chemically exfoliated flakes allowing for moderate performance, but providing a path toward low‐cost production. A strong advantage of TMDCs is the possibility to realize p‐type and n‐type channels for complementary transistors having similar performance figures‐of‐merit. This aspect, as well as common transistor performance metrics are also compared with other flexible channel materials providing an overview of the state of the art of thin‐film transistors in the field of flexible electronics.
Dual Effects of Metal and Organic Ions Co‐Intercalation Boosting the Kinetics and Stability of Hydrated Vanadate Cathodes for Aqueous Zinc‐Ion Batteries
Authors: Zong Quan , Zhuang Yanling , Liu Chaofeng , Kang Qiaoling , Wu Yuanzhe , Zhang Jingji , Wang Jiangying , Tao Daiwen , Zhang Qilong , Cao Guozhong 
Published: June 2023

AbstractFor the development of aqueous zinc‐ion batteries, exploiting vanadium‐based cathode materials with quick kinetics and acceptable cycling stability is crucial. Herein, to achieve these goals, transition metal ions (Zn2+) and organic ions (C5H14ON+ and Ch+) are introduced into layered hydrated V2O5. The intrinsic high conductivity of Ch+ and the oxygen vacancies generated through ion pre‐intercalation accelerate the electrical mobility by optimizing the electronic structure. The Zn2+ stabilizes the layered structure and the expanded interlayer spacing improves the ionic diffusivity. The synergistic effect of pre‐intercalated Zn2+ and Ch+ results in the (Zn0.1, Ch0.1)V2O4.92·0.56H2O cathode exhibiting a discharge capacity of 473 mAh g−1 at 0.1 A g−1 with a high energy efficiency of 88% and excellent cycling stability with 91% retention after 2000 cycles at 4 A g−1. Ex situ characterizations and density functional theory calculations reveal a reversible intercalation mechanism of Zn2+, and the improved electrochemical kinetics are attributed to the altered electronic conductivity and the reduced binding energy between Zn2+ and host O2−.
Direct numerical simulation of moderate‐Reynolds‐number flow past arrays of ellipsoids
Authors: Li Xinyang , Chen Xiao , Yang Bolun , Zhou Qiang 
Published: June 2023

AbstractThrough particle‐resolved direct numerical simulations of flow past arrays of ellipsoids, the hydrodynamic force on ellipsoids depends on the particle orientation, aspect ratio, particle Reynolds number, and solid volume fraction is revealed at moderate Reynolds numbers. The results show that the mean drag force on arrays of prolate/oblate ellipsoids decreases/increases as the Hermans orientation factor increases when flows are in the reference direction defined by the average symmetric axis of particles. The individual drag force on a prolate/oblate ellipsoid increases/decreases with the increase of incidence angle, and it is also affected by the orientation of surrounding particles. The individual lift force is also significant when the aspect ratio is away from unity at large particle Reynolds numbers. Based on simulation results, correlations for the hydrodynamic force on ellipsoids at arbitrary particle Reynolds numbers, solid volume fractions, Hermans orientation factors, incidence angles, and aspect ratios are formulated.
First principles prediction of NRTL binary interaction parameters for furfural derivatives
Authors: Joos Ilah , Lugo Fernando A. , Sabbe Maarten K. , De Clercq Jeriffa , Lauwaert Jeroen 
Published: June 2023

AbstractBiobased molecules constitute sustainable alternatives for fossil‐based chemicals. However, to allow further valorization, the complex product mixtures resulting from biomass processing typically require downstream separation. Although many (semi)empirical thermodynamic models, like NRTL, are available for separation process design, their application for biobased molecules is hampered due to the lack of the necessary data to determine the binary interaction parameters used in these models. Therefore, in this work a case study comprising a set of furfural derivates has been used to showcase a methodology to efficiently determine these parameters. Based on first principles, COSMO‐RS is used to generate a dataset of thermodynamic activities, which is subsequently used to regress the NRTL model against. Comparison of NRTL‐HOC simulated vapor–liquid equilibria (VLE's) with experimental VLE's showed excellent agreement, confirming that COSMO‐RS can be used to extend the use of (semi)‐empirical models toward applications involving biobased molecules of which limited experimental data is available.
Li Plating Regulation on Fast‐Charging Graphite Anodes by a Triglyme‐LiNO3 Synergistic Electrolyte Additive
Authors: Xu Xuejiao , Yue Xinyang , Chen Yuanmao , Liang Zheng 
Published: June 2023

AbstractGraphite anodes are prone to dangerous Li plating during fast charging, but the difficulty to identify the rate‐limiting step has made a challenging to eliminate Li plating thoroughly. Thus, the inherent thinking on inhibiting Li plating needs to be compromised. Herein, an elastic solid electrolyte interphase (SEI) with uniform Li‐ion flux is constructed on graphite anode by introducing a triglyme (G3)‐LiNO3 synergistic additive (GLN) to commercial carbonate electrolyte, for realizing a dendrite‐free and highly‐reversible Li plating under high rates. The cross‐linked oligomeric ether and Li3N particles derived from the GLN greatly improve the stability of the SEI before and after Li plating and facilitate the uniform Li deposition. When 51 % of lithiation capacity is contributed from Li plating, the graphite anode in the electrolyte with 5 vol.% GLN achieved an average 99.6 % Li plating reversibility over 100 cycles. In addition, the 1.2‐Ah LiFePO4 | graphite pouch cell with GLN‐added electrolyte stably operated over 150 cycles at 3 C, firmly demonstrating the promise of GLN in commercial Li‐ion batteries for fast‐charging applications.
Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit
Authors: Xie Wenlong , Li Fuming , Chen Jianbang , Yang Zhihuang , Li Guangmao , Pan Shilie 
Published: June 2023

AbstractPerformance enhancement induced by structural modification has long been the target in materials science fields. Direct evidence to witness the effectivity of one strategy is challenging and necessary. In this work, a tetrahedra‐decoration strategy was proposed to improve the birefringent performance sharply, namely decorating the tetrahedra with a single linear [S2] unit. The strategy was verified by comprehensive characterization of two thiogermanates K2BaGeS4 and K2BaGeS5, which crystallize in the same space group, have similar unit cells and the same units arrangements. Theoretical characterization verified that the [GeS5] group has much larger polarization anisotropy than [GeS4], further demonstrated that the linear [S2] led to the sharp birefringence enlargement of K2BaGeS5 (0.19 vs 0.03 of K2BaGeS4). This work provides a new guiding thought to improve the birefringence performance.
Data‐Dependent Acquisition with Precursor Coisolation Improves Proteome Coverage and Measurement Throughput for Label‐Free Single‐Cell Proteomics**
Authors: Truong Thy , Webber Kei G. I. , Madisyn Johnston S. , Boekweg Hannah , Lindgren Caleb M. , Liang Yiran , Nydegger Alissia , Xie Xiaofeng , Tsang Tsz‐Ming , Jayatunge D. A. Dasun N. , Andersen Joshua L. , Payne Samuel H. , Kelly Ryan T. 
Published: June 2023

AbstractWe combined efficient sample preparation and ultra‐low‐flow liquid chromatography with a newly developed data acquisition and analysis scheme termed wide window acquisition (WWA) to quantify >3,000 proteins from single cells in rapid label‐free analyses. WWA employs large isolation windows to intentionally co‐isolate and co‐fragment adjacent precursors along with the selected precursor. Optimized WWA increased the number of MS2‐identified proteins by ≈40 % relative to standard data‐dependent acquisition. For a 40‐min LC gradient operated at ≈15 nL/min, we identified an average of 3,524 proteins per single‐cell‐sized aliquot of protein digest. Reducing the active gradient to 20 min resulted in a modest 10 % decrease in proteome coverage. Using this platform, we compared protein expression between single HeLa cells having an essential autophagy gene, atg9a, knocked out, with their isogenic WT parental line. Similar proteome coverage was observed, and 268 proteins were significantly up‐ or downregulated. Protein upregulation primarily related to innate immunity, vesicle trafficking and protein degradation.