bluuebunny/crossref_metadata_2025 huggingface dataset:
From Grayscale Photopolymerization 3D Printing to Functionally Graded Materials
Authors: Fei Guanghai , Parra‐Cabrera Cesar , Zhong Kuo , Clays Koen , Ameloot Rob
Published: April 2024

Functionally graded materials (FGMs) have spatial variations in structure or composition that result in gradients in their mechanical, thermal, swelling, or other properties. FGMs have garnered significant research interest because of their extensive applications in areas such as biomedical implants, sensors, and soft robotics. Recently, grayscale photopolymerization 3D printing has emerged as a promising technology for crafting complex and high‐resolution FGMs. This comprehensive work delves into various grayscale photopolymerization 3D printing techniques, offering insights into their ability to precisely control printing exposure energy and polymerization degree, which in turn influence material properties. Furthermore, this work highlights diverse applications of grayscale vat‐photopolymerization 3D printing. Finally, it offers perspectives on ways to enhance grayscale photopolymerization 3D printing, with a focus on improving printing feedstocks and grayscale strategies.
Multi‐Interface Strategy for Electrode Tailoring Toward Fast‐Charging Lithium‐Ion Batteries
Authors: Choi Jeong‐Hee , Lee Hae Gon , Lee Min‐Ho , Lee Sang‐Min , Kang Junhee , Suh Joo Hyeong , Park Min‐Sik , Lee Jong‐Won
Published: April 2024

Thick and dense graphite anodes used in lithium‐ion batteries (LIBs) suffer from sluggish reaction kinetics at the electrode level, causing Li metal plating on their surfaces and significant capacity decay at high charging currents. Thus, it is crucial to tailor electrodes based on a comprehensive understanding of the complex reaction kinetics to realize fast‐charging LIBs. A multi‐interface strategy is proposed for electrode tailoring using Al2O3 nanoparticles to enhance fast‐charging capability while suppressing Li metal plating. Molecular dynamics simulations suggest that the incorporated Al2O3 nanoparticles perturb the charge and molecule distributions in the boundary layer, forming an “interfacial highway” for facile Li+ transport at the Al2O3/electrolyte interface. This pushes Li+ deeper into the electrode and homogenizes the Li+ flux across the electrode's top surface. A full cell assembled with the Al2O3‐decorated graphite electrode (areal capacity of 4.4 mAh cm−2) exhibits excellent cyclability with a capacity retention of 83.4% over 500 cycles even at a 2C rate without any noticeable signal for undesirable Li plating. The role of interfacial highways predicted by theoretical computations is further validated using a pouch‐type full cell (500 mAh). These findings provide insights into the interfacial and microstructural design of high‐capacity graphite electrodes for fast‐charging, long‐cycling LIBs.
Ultrafast Biomimetic Untethered Soft Actuators with Bone‐In‐Flesh Constructs Actuated by Magnetic Field
Authors: Yue Wei , Xu Renxiao , Sui Fanping , Gao Yuan , Lin Liwei
Published: April 2024

Soft actuators with unique mechanics have gained significant interests for unique capabilities and versatile applications. However, their actuation mechanisms (usually driven by light, heat, or chemical reactions) result in long actuation times. Reported magnetically actuated soft actuators can produce rapid and precise motions, yet their complex manufacturing processes may constrain their range of applications. Here, the “bone‐in‐flesh” is proposed that constructs combining rigid magnetic structures encapsulated within soft polymers to create untethered magnetic soft actuators. This approach enables these soft, impact‐resistant, agile actuators with a significantly simplified fabrication process. As demonstration examples, multiple soft actuators are fabricated and tested, including actuators for auxetic properties, 2D–3D transformations, and multi‐stable states. As such, this work offers a promising solution to challenges associated with soft actuators to potentially expand their applications in various domains.
Sustainable Snail‐Inspired Bio‐Based Adhesives with Ultra‐High Adhesion
Authors: Zhu Qiuwen , Li Rui , Yan Yiyang , Huang Yuxuan , Su Hang , Dong Yutian , Pan Xihao , Sun Wei , Wang XiaoZhao , Meng Hongxu , Wang Rong , Ouyang Hongwei , Hong Yi
Published: April 2024

Adhesives play a crucial role in modern everyday applications, prompting a growing environmental consciousness regarding their source, composition, utilization, and disposal. Sustainability concerns are frequently generated due to the complex or energy‐intensive manufacturing processes in the production of conventional water‐based adhesives. Here, a coacervate‐based snail‐inspired solvent‐free adhesive (SFA) is engineered by strategically modulating electrostatic interactions and molecular entanglement of two polypeptides under environmentally friendly conditions. The SFA has a record‐breaking adhesion strength of 28 MPa on ceramics, setting a new standard for bio‐based adhesives. The SFA demonstrates robust adhesion performance across a wide temperature ranging from −150 to 300 °C and allows for reusability without compromising adhesion properties. Moreover, it can be easily removed using a non‐toxic alkaline solution. The study presents a promising opportunity for developing high‐performance, reusable adhesives made from renewable materials suitable for industrial applications, relics repair, and even spacecraft processing.
Gate‐Tunable Spin Hall Effect in Trilayer Graphene/Group‐IV Monochalcogenide van der Waals Heterostructures
Authors: Yang Haozhe , Chi Zhendong , Avedissian Garen , Dolan Eoin , Karuppasamy Muthumalai , Martín‐García Beatriz , Gobbi Marco , Sofer Zdenek , Hueso Luis E. , Casanova Fèlix
Published: April 2024

Spintronic devices require materials that facilitate effective spin transport, generation, and detection. In this regard, graphene emerges as an ideal candidate for long‐distance spin transport owing to its minimal spin‐orbit coupling, which, however, limits its capacity for effective spin manipulation. This problem can be overcome by putting spin‐orbit coupling materials in close contact with graphene leading to spin‐orbit proximity and, consequently, efficient spin‐to‐charge conversion through mechanisms such as the spin Hall effect. Here, the gate‐dependent spin Hall effect in trilayer graphene proximitized with tin sulfide (SnS) is reported and quantified, a group‐IV monochalcogenide that has recently been predicted to be a viable alternative to transition‐metal dichalcogenides for inducing strong spin‐orbit coupling in graphene. The spin Hall angle exhibits a maximum around the charge neutrality point of graphene up to room temperature. The findings expand the library of materials that induce spin‐orbit coupling in graphene to a new class, group‐IV monochalcogenides, thereby highlighting the potential of 2D materials to pave the way for the development of innovative spin‐based devices and future technological applications.
Materials Strategies to Overcome the Foreign Body Response
Authors: Zhou Xianchi , Wang Youxiang , Ji Jian , Zhang Peng
Published: April 2024

The foreign body response (FBR) is an immune‐mediated reaction that can occur with most biomaterials and biomedical devices. The FBR initiates a deterioration in the performance of implantable devices, representing a longstanding challenge that consistently hampers their optimal utilization. Over the last decade, significant strides are achieved based on either hydrogel design or surface modifications to mitigate the FBR. This review delves into recent material strategies aimed at mitigating the FBR. Further, the authors look forward to future novel anti‐FBR materials from the perspective of clinical translation needs. Such prospective materials hold the potential to attenuate local immune responses, thereby significantly enhancing the overall performance of implantable devices.
Ferromagnetic Order in 2D Layers of Transition Metal Dichlorides
Authors: Aguirre Andrea , Pinar Solé Andrés , Soler Polo Diego , González‐Orellana Carmen , Thakur Amitayush , Ortuzar Jon , Stesovych Oleksandr , Kumar Manish , Peña‐Díaz Marina , Weber Andrew , Tallarida Massimo , Dai Ji , Dreiser Jan , Muntwiler Matthias , Rogero Celia , Pascual José Ignacio , Jelínek Pavel , Ilyn Maxim , Corso Martina
Published: April 2024

Magnetism in two dimensions is traditionally considered an exotic phase mediated by spin fluctuations, but far from collinearly ordered in the ground state. Recently, 2D magnetic states have been discovered in layered van der Waals compounds. Their robust and tunable magnetic state by material composition, combined with reduced dimensionality, foresee a strong potential as a key element in magnetic devices. Here, a class of 2D magnets based on metallic chlorides is presented. The magnetic order survives on top of a metallic substrate, even down to the monolayer limit, and can be switched from perpendicular to in‐plane by substituting the metal ion from iron to nickel. Using functionalized STM tips as magnetic sensors, local exchange fields are identified, even in the absence of an external magnetic field. Since the compounds are processable by molecular beam epitaxy techniques, they provide a platform with large potential for incorporation into current device technologies.
Defect Engineering for Enhanced Electrocatalytic Oxygen Reaction on Transition Metal Oxides: The Role of Metal Defects
Authors: Zheng Jingxuan , Meng Dapeng , Guo Junxin , Liu Xiaobin , Zhou Ling , Wang Zhao
Published: April 2024

Metal defect engineering is a highly effective strategy for addressing the prevalent high overpotential issues associated with transition metal oxides functioning as dual‐function commercial oxygen reduction reaction/oxygen evolution reaction catalysts for increasing their activity and stability. However, the high formation energy of metal defects poses a challenge to the development of strategies to precisely control the selectivity during metal defect formation. Here, density functional theory calculations are used to demonstrate that altering the pathway of metal defect formation releases metal atoms as metal chlorides, which effectively reduces the formation energy of defects. The metal defects on the monometallic metal oxide surface (Mn, Fe, Co, and Ni) are selectively produced using chlorine plasma. The characterization and density functional theory calculations reveal that catalytic activity is enhanced owing to electronic delocalization induced by metal defects, which reduces the theoretical overpotential. Notably, ab initio molecular dynamics calculations, ex situ XPS, and in situ ATR‐SEIRAS suggest that metal defects effectively improve the adsorption of reactive species on active sites and enhance the efficiency of product desorption, thereby boosting catalytic performance.
Probing the Interfacial Molecular Structure of a Co‐Prussian Blue In Situ
Authors: Bera Anupam , De Ratnadip , Schmidt Heiner , Leistenschneider Desirée , Ulusoy Ghobadi Turkan Gamze , Oschatz Martin , Karadaş Ferdi , Dietzek‐Ivanšić Benjamin
Published: April 2024

Molecular‐level insight into the interfacial composition of electrodes at the solid‐electrolyte and the solid‐electrode interface is essential to understanding the charge transfer processes, which are vital for electrochemical (EC) and photoelectrochemical (PEC) applications. However, spectroscopic access to both interfaces, particularly upon application of an external bias, remains a challenge. Here, in situ surface sensitive vibrational sum‐frequency generation (VSFG) spectroscopy is used for the first time to directly access the interfacial structure of a cobalt‐containing Prussian blue analog (Co‐PBA) in contact with the electrolyte and TiO2/Au surface. Structural and compositional changes of the Prussian blue layer during electrochemical oxidation are studied by monitoring the stretching vibration of the CN group. At open circuit potential, VSFG reveals a non‐homogeneous distribution of oxidation states of metal sites: FeIII–CN–CoII and FeII–CN–CoIII coordination motifs are dominantly observed at the Co‐PBA|TiO2 interface, while it is only the FeII–CN–CoII unit at the electrolyte interface. Upon increasing the potential applied to the electrode, the partial oxidation of FeII–CN–CoII to FeIII–CN–CoII is observed followed by its transformation to FeII–CN–CoIII via charge transfer and, finally, the formation of FeIII–CN–CoIII species at the interface with TiO2 and the electrolyte.
Nitrogen Doping in VO2 Thin Films on Synthetic Mica Substrates Through Mist Chemical Vapor Deposition: Lowering the Metal–Insulator Transition Temperature Toward Smart Windows
Authors: Kano Taisei , Nishinaka Hiroyuki , Arata Yuta , Yoshimoto Masahiro
Published: April 2024

In this study, nitrogen (N) is doped into VO2 thin films through mist chemical vapor deposition (CVD), and the effect of the doping on metal–insulator transition (MIT) temperatures is investigated. The N‐doped VO2 thin films are grown on an SnO2 buffer layer. The N‐doped VO2 lattice spacing tends to expand as the growth temperature decreased, which indicates that the incorporation of N into the lattice is derived from the Ethylenediamine. Secondary ion mass spectrometry (SIMS) is conducted to investigate the relationship between the decrease in the transition temperature and N concentration. The results reveal that the sample grown at 425 °C contains approximately 2 × 1020 cm−3 of N. Thus, efficient nitrogen doping can be achieved through mist CVD. The temperature‐resistance characteristics of VO2 thin films are measured to investigate their electrical properties and MIT temperatures. The results reveal that for undoped samples, the transition temperature slightly decreases with the decrease in the growth temperature. Furthermore, the sample grown at 425 °C exhibits a considerable change in resistance because of MIT at approximately 29.5 °C. These results prove the potential of using mist CVD N‐doped thin films for smart window applications to address future energy problems.
High Color Conversion Efficiency Realized in Graphene‐Connected Nanorod Micro‐LEDs Using Hybrid Ag Nanoparticles and Quantum Dots
Authors: Fang Aoqi , Tang Penghao , Xie Yiyang , Du Zaifa , Guo Weiling , Mei Yu , Xu Hao , Sun Jie
Published: April 2024

In this paper, a uniform nanorod (NR) array is etched onto the surface of Micro‐Light‐Emitting‐Diodes (µLEDs) and mix Ag nanoparticles (NPs) with QDs to fill the gaps between the nanorods. Simultaneously, the study utilizes graphene to connect individual nanorods and enhance current spreading. The nanorod array's structure significantly reduces the distance between the QDs and the quantum well (QW), reducing energy loss from the excitation light source through a non‐radiative energy transfer (NRET) mechanism. Additionally, the Ag NPs function as localized surface plasmons (LSPs), further enhancing the CCE of QDs via the absorption resonance. In this study, the effects of two types of Ag NPs are compared with different absorption resonance peaks on device performance. The results demonstrate that Ag NPs with absorption resonance peaks matching the emission wavelength of QDs play a more crucial role in the system. This configuration achieves a CCE of 77.78% for µLEDs with nanorod arrays, operating at a current of 10 mA. Compared to the conventional µLED structure with QDs only on the surface, the proposed method improves the CCE of µLEDs by an impressive 86.5%. This outcome underscores the significant contribution of the NR structure and LSPs in enhancing the CCE of QD‐µLEDs.
Interference‐Assisted Independent Amplitude and Phase Manipulation with Broadband Chiral Meta‐Mirror
Authors: Qu Kai , Chen Ke , Hu Qi , Yang Weixu , Zhao Junming , Jiang Tian , Feng Yijun
Published: April 2024

Achieving simultaneous amplitude and phase control is crucial in various spin‐selective optical applications, particularly for chiral mirrors that exhibit distinct responses when illuminated by orthogonal circularly polarized waves. However, conventional chiral metasurface approaches for amplitude manipulation can only be implemented by adjusting absorption, which limits the bandwidth due to the dispersion nature of the meta‐structure and cannot ensure that the chiral mirror output only one circular polarization component with independent amplitude and phase manipulation at multi‐polarization incidence. Here, an interference‐mechanism‐assisted methodology is proposed for broadband chiral meta‐mirrors with independent control over amplitude and phase. Such controls are achieved by simply setting the rotation angle of each meta‐atom in the integrated quad‐atom structure. The rotation angle of each meta‐atom and the difference between adjacent meta‐atoms rotation angles provide flexible degrees of freedom for controlling phase and amplitude, respectively. Notably, this mechanism stemming from the Pancharatnam‐Berry phase allows for wideband operation due to its dispersion‐free nature of phase control. As proof‐of‐principle demonstrations, numerically verify a series of amplitude‐tailorable phase‐gradient meta‐mirrors and experimentally demonstrate a broadband chiral Airy beam generator. This method offers a straightforward solution for spin‐selective amplitude/phase manipulation which may have the potential to advance the engineering application of chiral metasurfaces.
Desymmetrization of Cyclohexadienones via [3+2]/[2+1] Domino Annulation: Access to Cyclopropane Fused Tricyclic Enones
Authors: Zhu Yannan , Wang Sen , Fang Bo , Li Qiuyun , Qi Gang , Han Zhongfei
Published: April 2024

A [3+2]/[2+1] domino annulation reaction of cyclohexadienones and α‐aryl vinylsulfonium salts has been reported. A range of cyclopropane fused tricyclic enones bearing four contiguous stereocenters were obtained as a single diastereomer in 44–93% yields. The synthetic utility was demonstrated with the gram‐scale reactions and further transformations of the products.
Genetic Screening of Haploid Neural Stem Cells Reveals that Nfkbia and Atp2b4 are Key Regulators of Oxidative Stress in Neural Precursors
Authors: Nie Shaochen , Zhang Wenhao , Jin Xin , Li Xiaoyan , Sun Shengyi , Zhao Yiding , Jia Qingshen , Li Luyuan , Liu Yan , Liu Dayong , Gao Qian
Published: April 2024

Neurological diseases are expected to become the leading cause of death in the next decade. Although little is known about it, the interaction between oxidative stress and inflammation is harmful to the nervous system. To find an advanced tool for neural genetics, mouse haploid neural stem cells (haNSCs) from the somite of chimeric mouse embryos at E8.5 is established. The haNSCs present a haploid neural progenitor identity for long‐term culture, promising to robustly differentiate into neural subtypes and being able to form cerebral organoids efficiently. Thereafter, haNSC mutants via a high‐throughput approach and screened targets of oxidative stress is generated using the specific mutant library. Deletion of Nfkbia (the top hit among the insertion mutants) reduces damage from reactive oxygen species (ROS) in NSCs exposed to H2O2. Transcriptome analysis revealed that Atp2b4 is upregulated significantly in Nfkbia‐null NSCs and is probably responsible for the observed resistance. Additionally, overexpression of Atp2b4 itself can increase the survival of NSCs in the presence of H2O2, suggesting that Atp2b4 is closely involved in this resistance. Herein, a powerful haploid system is presented to study functional genetics in neural lineages, shedding light on the screening of critical genes and drugs for neurological diseases.
Bio‐Inspired Electrodes with Rational Spatiotemporal Management for Lithium‐Ion Batteries
Authors: Song Zelai , Li Weifeng , Gao Zhenhai , Chen Yupeng , Wang Deping , Chen Siyan
Published: April 2024

Lithium‐ion batteries (LIBs) are currently the predominant energy storage power source. However, the urgent issues of enhancing electrochemical performance, prolonging lifetime, preventing thermal runaway‐caused fires, and intelligent application are obstacles to their applications. Herein, bio‐inspired electrodes owning spatiotemporal management of self‐healing, fast ion transport, fire‐extinguishing, thermoresponsive switching, recycling, and flexibility are overviewed comprehensively, showing great promising potentials in practical application due to the significantly enhanced durability and thermal safety of LIBs. Taking advantage of the self‐healing core–shell structures, binders, capsules, or liquid metal alloys, these electrodes can maintain the mechanical integrity during the lithiation–delithiation cycling. After the incorporation of fire‐extinguishing binders, current collectors, or capsules, flame retardants can be released spatiotemporally during thermal runaway to ensure safety. Thermoresponsive switching electrodes are also constructed though adding thermally responsive components, which can rapidly switch LIB off under abnormal conditions and resume their functions quickly when normal operating conditions return. Finally, the challenges of bio‐inspired electrode designs are presented to optimize the spatiotemporal management of LIBs. It is anticipated that the proposed electrodes with spatiotemporal management will not only promote industrial application, but also strengthen the fundamental research of bionics in energy storage.
Perovskite Crystallization and Hot Carrier Dynamics Manipulation Enables Efficient and Stable Perovskite Solar Cells with 25.32% Efficiency
Authors: Wu Tai , Wang Peng , Zheng Liangding , Zhao Yuanju , Hua Yong
Published: April 2024

Modulating perovskite crystallization and understanding hot carriers (HCs) dynamics in perovskite films are very critical to achieving high‐performance perovskite solar cells (PSCs). Herein, a small organic molecule (6BAS) with multisite anchors (C═O) as an efficient additive is introduced into PbI2 precursors to modulate perovskite crystallization during two‐step sequential deposition. The chemical interaction between 6BAS and PbI2 enables more preferential PbI2 crystal with enlarged interplanar spacing of PbI2 lattice, which is beneficial to the penetration of organic ammonium salts into PbI2 layer and the complete conversion to perovskite, consequently promoting the preferential crystallization of perovskite to realize high‐quality perovskite films with larger grain size and reduced defect state. By ultrafast spectroscopy, it is found that the incorporation of 6BAS can efficiently prolong HCs cooling, which helps to enhance HCs transfer and retard the charge carrier recombination in device. As a result, 6BAS doped‐PSCs efficiency significantly enhances to 25.32% from 22.91%. The target device achieves the enhanced long‐term stability. Only a 6% efficiency degradation is realized for un‐encapsulated device with 6BAS after 70 days under N2. Meanwhile, the 6BAS‐treated device retains 95% of its initial PCE after 1160 h of operation at the maximum power point under continuous AM 1.5 G illumination.
Significance of Formamidinium Incorporation in Perovskite Composition and Its Impact on Solar Cell Efficiency: A Mini‐Review
Authors: Sekar Karthick , Manisekaran Ravichandran , Nwakanma Onyekachi Michael , Babudurai Mercyrani
Published: April 2024

Perovskite solar cells (PSCs) have gained tremendous research interest recently owing to several advantages, including low material cost, facile solution processability, bandgap tunability, and alluring device efficiency. The organic formamidinium (FA) cation‐based perovskites are mainly considered as one of the potential candidates for charge carrier generation due to their excellent properties, such as bandgap and thermal stability than traditional perovskites. However, the inevitable unfavorable polymorphism (i.e., α to δ) at room temperature still forms the basis for numerous research works to allow the fabrication of a high‐quality absorber and enhances the PSCs performance. The studies to resolve the polymorphism and several contemporary techniques (e.g., passivation strategy) with several recent novel fabrication methods presented in this review form the essence of the improvements in PSCs. The absorber morphology also influences the charge‐transfer behavior and the device's lifetime. Therefore, understanding these properties is essential to improve the absorber quality and avoid many defects. This review focuses on the structure and properties of pure and mixed FA perovskites with various halides, mainly the FA cation's role in the absorber composition. And a comprehensive overview of recent FA cation‐based double, triple, and quadrupole PSCs results with proper scientific explanations to understand the device physics.
New trends in surgery for colorectal liver metastasis
Authors: Kron Philipp , Lodge Peter
Published: April 2024

By presenting the most up‐to‐date findings and incorporating the latest evidence, this article seeks to present a comprehensive guide for navigating the complexities inherent in the management of colorectal liver metastasis. It aims to serve as a valuable resource offering clinicians and healthcare professionals an understanding of the diverse modalities and approaches available for treating this challenging and multifaceted disease. In an era of rapidly evolving medical knowledge, this article examines the latest insights to make informed decisions in the realm of colorectal liver metastasis management. The article does not only highlight the up‐to‐date knowledge but also provides the evidence for existing therapeutic strategies. This practical tool provides evidence‐based recommendations to clinicians, thereby contributing to the ongoing advancement of effective treatment strategies for this challenging disease.
A Multivalent DNA Nanoparticle/Peptide Hybrid Molecular Modality for the Modulation of Protein–Protein Interactions in the Tumor Microenvironment
Authors: Roman Jessica A. , Girgis Michael Y. , Prisby Rocìo S. , Araujo Robyn P. , Russo Paul , Oktay Esra , Luchini Alessandra , Liotta Lance A. , Veneziano Remi , Haymond Amanda
Published: April 2024

Despite success in the treatment of some blood cancers and melanoma, positive response to immunotherapies remains disappointingly low in the treatment of solid tumors. The context of the molecular crosstalk within the tumor microenvironment can result in dysfunctional immune cell activation, leading to tumor tolerance and progression. Although modulating these protein–protein interactions (PPIs) is vital for appropriate immune cell activation and recognition, targeting nonenzymatic PPIs has proven to be fraught with challenges. To address this, a synthetic, multivalent molecular modality comprised of small interfering peptides precisely hybridized to a semirigid DNA scaffold is introduced. Herein, a prototype of this modality that targets the IL‐33/ST2 signaling axis, which is associated with tumor tolerance and immunotherapy treatment failure is described. Using peptides that mimic the specific high‐energy “hotspot” residues with which the IL‐33/ST2 coreceptor, IL‐1RAcP, interacts with the initial binary complex, this platform is shown to effectively bind IL‐33/ST2 with a KD of 110 nm. Additionally, this molecule effectively abrogates signal transduction in cell models at high nanomolar concentrations and is exquisitely selective for this complex over structurally similar PPIs within the same cytokine superfamily.
Picturing the Gap Between the Performance and US‐DOE's Hydrogen Storage Target: A Data‐Driven Model for MgH2 Dehydrogenation
Authors: Li Chaoqun , Yang Weijie , Liu Hao , Liu Xinyuan , Xing Xiujing , Gao Zhengyang , Dong Shuai , Li Hao
Published: April 2024

Developing solid‐state hydrogen storage materials is as pressing as ever, which requires a comprehensive understanding of the dehydrogenation chemistry of a solid‐state hydride. Transition state search and kinetics calculations are essential to understanding and designing high‐performance solid‐state hydrogen storage materials by filling in the knowledge gap that current experimental techniques cannot measure. However, the ab initio analysis of these processes is computationally expensive and time‐consuming. Searching for descriptors to accurately predict the energy barrier is urgently needed, to accelerate the prediction of hydrogen storage material properties and identify the opportunities and challenges in this field. Herein, we develop a data‐driven model to describe and predict the dehydrogenation barriers of a typical solid‐state hydrogen storage material, magnesium hydride (MgH2), based on the combination of the crystal Hamilton population orbital of Mg−H bond and the distance between atomic hydrogen. By deriving the distance energy ratio, this model elucidates the key chemistry of the reaction kinetics. All the parameters in this model can be directly calculated with significantly less computational cost than conventional transition state search, so that the dehydrogenation performance of hydrogen storage materials can be predicted efficiently. Finally, we found that this model leads to excellent agreement with typical experimental measurements reported to date and provides clear design guidelines on how to propel the performance of MgH2 closer to the target set by the United States Department of Energy (US‐DOE).
Synthesis, investigation of temperature and salt resistant polyacrylamide microspheres used for deep sealing and profile control and function strengthening mechanism
Authors: Jinhua Huo , Siman Zhang , Junwei Liu , Chenxi Wei , Ruizhi Zhang , Xing Zhang , Shanjian Li
Published: April 2024

Based on the requirements of deep sealing and profile control for the excellent temperature and salt resistance on polyacrylamide microspheres, the Poly‐AM/AMPS was prepared depends on aqueous solution polymerization method to improving oil and gas recovery efficiency in low‐permeability and heterogeneous reservoirs resulted by water channeling. The key technical parameters were established through single‐factor experimental methods, and the chemical structure was studied by infrared spectrum analysis (FTIR), energy spectrum analysis, and x‐ray diffraction analysis, and then the thermal stability was investigated depends on the thermogravimetric (TG) and differential thermogravimetric (DTG) distribution curves, moreover, the particle size and distribution, microstructure, and surface morphology were further studied. As a result, the results confirmed that the molecular structure of Poly‐AM/AMPS meets the expected design, and the quality retention rate at 800°C is 17.4%, the median particle size of Poly‐AM/AMPS particles is 35.88 μm, and the particle size distribution range is about 1.94–497.8 μm. Further, the Poly‐AM/AMPS was modified by maleic anhydride, sodium styrenesulfonate, and dimethyl diallyl ammonium chloride through conventional functional strengthening and modification, modified by nano‐SiO2, GO, and S‐CaCO3 through nano‐functional strengthening and modification. Additionally, the functional strengthening and modification mechanism was studied depends on the FTIR, TG, and DTG methods.
Defining Criteria for Disease Activity States in Systemic Juvenile Idiopathic Arthritis Based on the Systemic Juvenile Arthritis Disease Activity Score
Authors: Rosina Silvia , Rebollo‐Giménez Ana I. , Tarantola Letizia , Pistorio Angela , Vyzhga Yulia , El Miedany Yasser , Lotfy Hala M. , Abu‐Shady Hend , Eissa Mervat , Osman Naglaa S. , Hassan Waleed , Mahgoub Marwa Y. , Fouad Nermeen A. , Mosa Doaa M. , Adel Yasmin , Mohamed Sheren E. M. , Radwan Ahmed R. , Abu‐Zaid Mohamed H. , Tabra Samar A. A. , Shalaby Radwa H. , Nasef Samah I. , Khubchandani Raju , Khan Archana , Maldar Naziya P. , Ozen Seza , Bayindir Yagmur , Alsuweiti Motasem , Alzyoud Raed , Almaaitah Hiba , Vilaiyuk Soamarat , Lerkvaleekul Butsabong , Alexeeva Ekaterina , Dvoryakovskaya Tatyana , Kriulin Ivan , Bracaglia Claudia , Pardeo Manuela , De Benedetti Fabrizio , Licciardi Francesco , Montin Davide , Robasto Francesca , Minoia Francesca , Filocamo Giovanni , Rossano Martina , Simonini Gabriele , Marrani Edoardo , Abu‐Rumeileh Sarah , Kostik Mikhail M. , Belozerov Konstantin E. , Pal Priyankar , Bathia Jigna N. , Katsicas María M. , Villarreal Giselle , Marino Achille , Costi Stefania , Sztajnbok Flavio , Silva Rodrigo M. , Maggio Maria C. , El‐Ghoneimy Dalia H. , El Owaidy Rasha , Civino Adele , Diomeda Federico , Al‐Mayouf Sulaiman M. , Al‐Sofyani Fuad , Dāvidsone Zane , Patrone Elisa , Saad‐Magalhães Claudia , Consolaro Alessandro , Ravelli Angelo
Published: April 2024

Objective

Our objective was to develop and validate cutoff values in the systemic Juvenile Arthritis Disease Activity Score 10 (sJADAS10) that distinguish the states of inactive disease (ID), minimal disease activity (MDA), moderate disease activity (MoDA), and high disease activity (HDA) in children with systemic juvenile idiopathic arthritis, based on subjective disease state assessment by the treating pediatric rheumatologist.

Methods

The cutoff definition cohort was composed of 400 patients enrolled at 30 pediatric rheumatology centers in 11 countries. Using the subjective physician rating as an external criterion, six methods were applied to identify the cutoffs: mapping, calculation of percentiles of cumulative score distribution, the Youden index, 90% specificity, maximum agreement, and receiver operating characteristic curve analysis. Sixty percent of the patients were assigned to the definition cohort, and 40% were assigned to the validation cohort. Cutoff validation was conducted by assessing discriminative ability.

Results

The sJADAS10 cutoffs that separated ID from MDA, MDA from MoDA, and MoDA from HDA were ≤2.9, ≤10, and >20.6, respectively. The cutoffs discriminated strongly among different levels of pain, between patients with and without morning stiffness, and among patients whose parents judged their disease status as remission or persistent activity or flare or were satisfied or not satisfied with current illness outcome.

Conclusion

The sJADAS cutoffs revealed good metrologic properties in both definition and validation cohorts and are therefore suitable for use in clinical trials and routine practice.
Cu2MoS4 Nanocatalyst‐Based Electrochemical Sensor for Ofloxacin Electro‐Oxidation: Delineating the Combined Roles of Crystallinity and Morphology on the Analytical Performance
Authors: Huong Phung Thi Lan , Anh Nguyen Tuan , Dinh Ngo Xuan , Phan Vu Ngoc , Le Ly T. , Nguyen Anh D. , Le Anh‐Tuan
Published: April 2024

In this study, we demonstrate the influence of crystallinity and morphology on the analytical performance of various Cu2MoS4 (CMS) nanocatalysts‐based electrochemical sensors for the high‐efficiency detection of Ofloxacin (OFX) antibiotic. The electrochemical kinetics parameters including peak current response (ΔIp), peak‐to‐peak separation (ΔEp), electrochemically active surface area (ECSA), electron‐transfer resistance (Rct), were obtained through the electrochemical analyses, which indicate the single‐crystalline nature of CMS nanomaterials (NMs) is beneficial for enhanced electron‐transfer kinetics. The morphological features and the electrochemical results for OFX detection substantiate that by tuning the tube‐like to plate‐like structures of the CMS NMs, it might noticeably enhance multiple adsorption sites and more intrinsic active catalytic sites due to the diffusion of analytes into the interstitial spaces between CMS nanoplates. As results, highly single‐crystalline and plate‐shaped morphology structures of CMS NMs would significantly enhance the electrocatalytic OFX oxidation in terms of onset potential (Eonset), Tafel slope, catalytic rate constant (kcat), and adsorption capacity (Γ). The CMS NMs‐based electrochemical sensing platform showed excellent analytical performance toward the OFX detection with two ultra‐wide linear detection concentration ranges from 0.25–100 and 100–1000 μM, a low detection limit of 0.058 μM, and an excellent electrochemical sensitivity (0.743 μA μM−1 cm−2).
Flatness‐based control in successive loops for mechatronic motion transmission systems
Authors: Rigatos Gerasimos , Pomares Jorge , Siano Pierluigi , AL‐Numay Mohammed , Abbaszadeh Masoud , Cuccurullo Gennaro
Published: April 2024

Mechatronic systems with nonlinear dynamics are met in motion transmission applications for vehicles and robots. In this article, the control problem for the nonlinear dynamics of mechatronic motion transmission systems is solved with the use of a flatness‐based control approach which is implemented in successive loops. The state‐space model of these systems is separated into a series of subsystems, which are connected between them in cascading loops. Each one of these subsystems can be viewed independently as a differentially flat system, and control about it can be performed with inversion of its dynamics as in the case of input–output linearized flat systems. In this chain of
subsystems, the state variables of the subsequent (
)‐th subsystem become virtual control inputs for the preceding
‐th subsystem and so on. In turn, exogenous control inputs are applied to the last subsystem and are computed by tracing backwards the virtual control inputs of the preceding
subsystems. The whole control method is implemented in successive loops, and its global stability properties are also proven through Lyapunov stability analysis. The validity of the control method is confirmed in the following two case studies: (a) control of a permanent magnet linear synchronous motor (PMLSM)‐actuated vehicle's clutch and (ii) control of a multi‐Degrees of Freedom (multi‐DOF) flexible joint robot.
Stochastic convergence to recurrent state equilibrium for state‐based games
Authors: Wei Xiaomeng , Li Haitao
Published: April 2024

State‐based games contain an additional state space by comparing with normal games. Correspondingly, the equilibrium of state‐based games is called recurrent state equilibrium (RSE). For state‐based games, the stochastic convergence to RSE is investigated in this paper. Firstly, the stochastic convergence of state‐based games is defined. Then, a kind of state‐based best‐response update rule is designed for state‐based games. Under this update rule, the state‐based games can be converted into the Markovian switching logical networks through the semi‐tensor product. Next, based on the results of Markovian switching logical networks and positive systems, the stochastic convergence of state‐based games is investigated and a verifiable criterion is derived. Finally, an example is presented to illustrate the validity of the obtained criterion.
Photoluminescence properties of Pb5(PO4)3Br:RE (RE = Dy3+, Eu3+ and Tb3+) phosphor synthesised using solid‐state method
Authors: Shinde V. V. , Dhoble S. J. , Yerpude A. N.
Published: April 2024

This study describes the luminous properties of Pb5(PO4)3Br doped with RE3+ (RE = Dy3+, Eu3+ and Tb3+) synthesised using the solid‐state method. The synthesised phosphor was characterised using Fourier‐transform infrared, X‐ray diffraction, scanning electron microscopy and photoluminescence measurements. Dy3+‐doped Pb5(PO4)3Br phosphor exhibited blue and yellow emissions at 480 and 573 nm, respectively, on excitation at 388 nm. Eu3+‐doped Pb5(PO4)3Br phosphor exhibited orange and red emissions at 591 and 614 nm, respectively, on excitation at λex = 396 nm. Pb5(PO4)3Br:Tb3+ phosphor exhibited the strongest green emission at 547 nm on excitation at λex = 380 nm. Additionally, the effect of the concentration of rare‐earth ions on the emission intensity of Pb5(PO4)3Br:RE3+ (RE3+ = Dy3+, Eu3+ and Tb3+) phosphors was investigated.
Study on the active components and mechanism of Atractylodis Macrocephalae Rhizoma for invigorating the spleen and tonifying qi based on spectrum–effect relationship and network pharmacology
Authors: Li Yafei , Tang Lulu , Zhao Mingfang , Tang Rui , Fang Keer , Ge Weihong , Du Weifeng
Published: April 2024

Spleen deficiency can lead to various abnormal physiological functions of the spleen. Atractylodis Macrocephalae Rhizoma (AMR) is a traditional Chinese medicine used to invigorate the spleen and tonify qi. The study aimed to identify the primary active components influencing the efficacy of AMR in strengthening the spleen and replenishing qi through spectrum–effect relationship and chemometrics. Network pharmacology was used to investigate the mechanism by which AMR strengthens the spleen and replenishes qi, with molecular docking utilized for validation purposes. The findings indicated that bran‐fried AMR exhibited superior efficacy, with atractylenolides and atractylone identified as the primary active constituents. Atractylenolide II emerged as the most influential component impacting the effectiveness of AMR, while the key target was androgen receptor. Furthermore, crucial pathways implicated included the mitogen‐activated protein cascade (MAPK) cascade, RNA polymerase II transcription factor activity, ligand‐activated sequence‐specific DNA binding, and RNA polymerase II sequence‐specific DNA‐binding transcription factor binding. In summary, our study has identified the primary active components associated with the efficacy of AMR and has provided an initial exploration of its mechanism of action. This offers a theoretical foundation for future investigations into the material basis and molecular mechanisms underlying the pharmacodynamics of AMR.
Evaluation of DNA extracted from residual blood clots after serological testing
Authors: Zhang Shanshan , Cheng Xiangqun , Yang Gui , Peng Hongwei , Zou Cong , Yao Dongai , Qian Kaiyu
Published: April 2024

DNA quality is of paramount importance for molecular biology research. This study aimed to assess the DNA extracted from residual blood clots after serological testing, focusing on the impact of blood clot segments, extraction kits, temporary storage durations (TSDs), and thawing methods on DNA quality. We divided the residual blood clot column (BCC) from healthy donors into three segments and utilized two different extraction kits. The BCCs were subjected to four TSDs at 4°C (7 days, 10 days, 1 month, and 2 months) and three thawing methods (4°C, room temperature, and 37°C). We found that the TIANamp Blood Clot DNA Kit yielded consistently high‐quality DNA from each segment with stable A260/280 and A260/230 ratios. The DNA yield showed a strong positive correlation with leukocyte concentration, and a satisfactory median DNA yield of 28.79 μg/g BCC was obtained across all segments. DNA integrity, as measured by the DNA integrity number and DNA fragment peak size, decreased with increasing TSD at 4°C, with a notable decrease after 10 days of storage. Thawing at 37°C resulted in the lowest DNA fragment peak size. In conclusion, BCC could be an ideal DNA source with satisfactory yield and purity. A prolonged TSD at 4°C leads to an obvious decrease in DNA integrity, and thawing the frozen BCC at 37°C decreases DNA fragment sizes. To maintain DNA integrity, BCCs should be cryopreserved as soon as possible after short TSDs at 4°C and thawed at 4°C.
Role of Amyloidogenic and Non‐Amyloidogenic Protein Spaces in Neurodegenerative Diseases and their Mitigation Using Theranostic Agents
Authors: Suri Kapali , Ramesh Madhu , Bhandari Mansi , Gupta Vishakha , Kumar Virendra , Govindaraju Thimmaiah , Murugan N. Arul
Published: April 2024

Neurodegenerative diseases (NDDs) refer to a complex heterogeneous group of diseases which are associated with the accumulation of amyloid fibrils or plaques in the brain leading to progressive loss of neuronal functions. Alzheimer's disease is one of the major NDD responsible for 60–80 % of all dementia cases. Currently, there are no curative or disease‐reversing/modifying molecules for many of the NDDs except a few such as donepezil, rivastigmine, galantamine, carbidopa and levodopa which treat the disease‐associated symptoms. Similarly, there are very few FDA‐approved tracers such as flortaucipir (Tauvid) for tau fibril imaging and florbetaben (Neuraceq), flutemetamol (Vizamyl), and florbetapir (Amyvid) for amyloid imaging available for diagnosis. Recent advances in the cryogenic electron microscopy reported distinctly different microstructures for tau fibrils associated with different tauopathies highlighting the possibility to develop tauopathy‐specific imaging agents and therapeutics. In addition, it is important to identify the proteins that are associated with disease development and progression to know about their 3D structure to develop various diagnostics, therapeutics and theranostic agents. The current article discusses in detail the disease‐associated amyloid and non‐amyloid proteins along with their structural insights. We comprehensively discussed various novel proteins associated with NDDs and their implications in disease pathology. In addition, we document various emerging chemical compounds developed for diagnosis and therapy of different NDDs with special emphasis on theranostic agents for better management of NDDs.
Isomer‐Dependent Melting Behavior of Low Molar Mass Azobenzene Derivatives: Observation of a Higher Melting Z‐Isomer
Authors: Barrett S. , Nieves J. , Collins E. , Fieglein V. , Burns M. , Guerrero J. , Mouer L. , Brittain W. J.
Published: April 2024

Azobenzene compounds are putative solar thermal fuels (STF) due to the excellent photostability and structural control of isomerization rates. Azobenzenes, in which both Z‐ and E‐isomers are liquid at room temperature, are promising candidates for STF flow technology. A literature survey of melting points led to the synthesis and isomer separation of ortho‐ and meta‐monosubstituted azobenzenes with fluoro, methyl, ethyl, trifluoromethyl and methoxy substituents and several dimethyl substituted azobenzenes. Four of the compounds are liquid azobenzenes with higher specific energy than literature work with higher molar mass, liquid compounds. Eight of the compounds unexpectedly displayed a higher melting point for the Z‐isomer which is rarely observed. Intermolecular close contacts in the crystal lattice of the Z‐isomer are the main factor responsible for the higher melting temperatures.
The dark side of the new space economy: Insights from the sustainability reporting practices of government space agencies and private space companies
Authors: Di Tullio Patrizia , Rea Michele A.
Published: April 2024

Governmental and private companies in the New Space Economy collaborate to realise valuable space products and services, yet this partnership raises sustainability concerns. This study investigates whether and how space companies address social and environmental aspects in their collaborative activities. Focusing on the launch service segment in Europe and the USA, we conducted a content analysis of financial and non‐financial reports and websites by using the legitimacy theory framework. This study reveals that space companies emphasise the positive social and environmental impacts of their collaboration while providing limited information on potential drawbacks. They extensively outline measures to mitigate social and environmental damages, aiming to present a favourable image of their activities. This research contributes to fostering the debate on social and environmental accounting and accountability of space actors. It sheds light on how they report on sustainability aspects offering insights into the legitimacy strategies they use and promoting their accountability.