bluuebunny/crossref_metadata_2025_split huggingface dataset:
Catalytic Growth of Ionic Conductive Lithium Nitride Nanowire Array for Dendrite‐Free Lithium Metal Anode
Authors: Shen Chunli , Meng Jiashen , Yan Mengyu , Liao Xiaobin , Wang Hong , Feng Wencong , Yu Yongkun , Zhou Cheng , Gong Minjian , Mai Liqiang , Xu Xu 
Published: May 2024

AbstractThe development of an artificial solid‐electrolyte interphase (SEI) has been recognized as the most efficient strategy to overcome the safety concerns associated with the lithium metal anode (LMA). Inorganic‐rich SEIs on the LMA are crucial for suppressing Li dendrites. Among the prevalent SEI inorganic compounds observed for LMA, lithium nitride (Li3N) is often found in the SEIs of high‐performance LMA. Herein, the Li3N nanowire array is successfully synthesized and the catalytic base‐growth mechanism is thoroughly investigated. The fast ionic conductor Li3N nanowires act as pillars to control the nucleation and growth of lithium metal along the vertical direction of the nanowire by bottom‐up self‐lubrication, which fundamentally prevents the dendrite growth. The Li3N is characterized by abundant lithiophilic nucleation sites, which effectively reduces the local current density, and facilitates homogeneous Li+ flux. Symmetric cells utilizing the Li3N@Li anode have demonstrated excellent stability, featuring uniform deposition without dendrite formation. Additionally, high‐capacity retentions of 98% at 0.5 C after 400 cycles and impressive high‐rate performance at 31.1 mA cm−2 have been realized in high‐loading Li3N@Li||LFP cells. The universal preparation of the Li3N nanowires with various precursors and substrates is further explored, which is expected to be applied in solid‐state batteries and hydrogen storage.
A Chlorinated Indolium‐Based Nonlinear Optical Crystal Achieving Effective Terahertz‐Wave Generation and Highly Sensitive Detection
Authors: Liang Hebin , Fu Qiaoqiao , Wu Yicheng , Zhang Xinyuan , Liu Pengxiang 
Published: May 2024

AbstractNonlinear optical (NLO) crystals have shown great potential in generating and detecting coherent terahertz waves, which have a wide range of applications. However, designing the microscopic structure of NLO crystals to obtain excellent macroscopic properties has been a challenge. In this work, by the introduction of chloro substitution into the cation part of indolium‐based salt structure, a new acentric OH5CI‐BS crystal, namely, [(C19H19NOCl)+∙(C6H5SO3)−, P1] is synthesized and grown using a feasible evaporation method. The cut‐off edge of the grown OH5CI‐BS crystal reaches 524 nm, corresponding to a bandgap of 2.37 eV. The largest single crystals of OH5CI‐BS with the size of ≈ 9 × 8 × 0.3 mm3 are grown. Remarkably, by use of OH5CI‐BS crystals as both the THz‐wave emitter and detector, a widely tunable (from 2.23 to 33.54 THz) and monochromatic THz system is demonstrated for the first time, and the detection depth of the OH5CI‐BS based up‐conversion at room temperature is >4 orders better than a commercial Golay Cell and even 2 orders better than a 4‐K‐Bolometer. This work indicates that OH5CI‐BS is a promising future NLO material for terahertz technology, and also provides a feasible design strategy for other organic optoelectronic functional materials.
Topical Nanoliposomal Collagen Delivery for Targeted Fibril Formation by Electrical Stimulation
Authors: Brilian Albertus Ivan , Lee Sang Ho , Setiawati Agustina , Kim Chang Ho , Ryu Soo Ryeon , Chong Hyo‐Jin , Jo Yejin , Jeong Hayan , Ju Bong‐Gun , Kwon Oh‐Sun , Tae Giyoong , Shin Kwanwoo 
Published: May 2024

AbstractCollagen is a complex, large protein molecule that presents a challenge in delivering it to the skin due to its size and intricate structure. However, conventional collagen delivery methods are either invasive or may affect the protein's structural integrity. This study introduces a novel approach involving the encapsulation of collagen monomers within zwitterionic nanoliposomes, termed Lip‐Cols, and the controlled formation of collagen fibrils through electric fields (EF) stimulation. The results reveal the self‐assembly process of Lip‐Cols through electroporation and a pH gradient change uniquely triggered by EF, leading to the alignment and aggregation of Lip‐Cols on the electrode interface. Notably, Lip‐Cols exhibit the capability to direct the orientation of collagen fibrils within human dermal fibroblasts. In conjunction with EF, Lip‐Cols can deliver collagen into the dermal layer and increase the collagen amount in the skin. The findings provide novel insights into the directed formation of collagen fibrils via electrical stimulation and the potential of Lip‐Cols as a non‐invasive drug delivery system for anti‐aging applications.
A Dual‐Function CD47‐Targeting Nano‐Drug Delivery System Used to Regulate Immune and Anti‐Inflammatory Activities in the Treatment of Atherosclerosis
Authors: Wang Huanhuan , Zhao Runze , Peng Lei , Yu Ao , Wang Yongjian 
Published: May 2024

AbstractAtherosclerosis is a primary contributor to cardiovascular disease. Current studies have highlighted the association between the immune system, particularly immune cells, and atherosclerosis, although treatment options and clinical trials remain scarce. Immunotherapy for cardiovascular disease is still in its infancy. Bruton's tyrosine kinase (BTK), widely expressed in various immune cells, represents a promising therapeutic target for atherosclerosis by modulating the anti‐inflammatory function of immune cells. This study introduces a polydopamine‐based nanocarrier system to deliver the BTK inhibitor, ibrutinib, to atherosclerotic plaques with an active targeting property via an anti‐CD47 antibody. Leveraging polydopamine's pH‐sensitive reversible disassembly, the system offers responsive, controlled release within the pathologic microenvironment. This allows precise and efficient ibrutinib delivery, concurrently inhibiting the activation of the NF‐κB pathway in B cells and the NLRP3 inflammasome in macrophages within the plaques. This treatment also modulates both the immune cell microenvironment and inflammatory conditions in atherosclerotic lesions, thereby conveying promising therapeutic effects for atherosclerosis in vivo. This strategy also provides a novel option for atherosclerosis treatment.
3D Directional Assembly of Liquid Crystal Molecules
Authors: Zhang Zexu , Deng Chunsan , Fan Xuhao , Li Minjing , Zhang Mingduo , Wang Xinger , Chen Fayu , Shi Shaoxi , Zhou Yining , Deng Leimin , Gao Hui , Xiong Wei 
Published: May 2024

AbstractThe precise construction of hierarchically long‐range ordered structures using molecules as fundamental building blocks can fully harness their anisotropy and potential. However, the 3D, high‐precision, and single‐step directional assembly of molecules is a long‐pending challenge. Here, a 3D directional molecular assembly strategy via femtosecond laser direct writing (FsLDW) is proposed and the feasibility of this approach using liquid crystal (LC) molecules as an illustrative example is demonstrated. The physical mechanism for femtosecond (fs) laser‐induced assembly of LC molecules is investigated, and precise 3D arbitrary assembly of LC molecules is achieved by defining the discretized laser scanning pathway. Additionally, an LC‐based Fresnel zone plate array with polarization selection and colorization imaging functions is fabricated to further illustrate the potential of this method. This study not only introduces a 3D high‐resolution alignment method for LC‐based functional devices but also establishes a universal protocol for the precise 3D directional assembly of anisotropic molecules.
In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back
Authors: Aldossary Abdulrahman , Campos‐Gonzalez‐Angulo Jorge Arturo , Pablo‐García Sergio , Leong Shi Xuan , Rajaonson Ella Miray , Thiede Luca , Tom Gary , Wang Andrew , Avagliano Davide , Aspuru‐Guzik Alán 
Published: May 2024

AbstractComputational chemistry is an indispensable tool for understanding molecules and predicting chemical properties. However, traditional computational methods face significant challenges due to the difficulty of solving the Schrödinger equations and the increasing computational cost with the size of the molecular system. In response, there has been a surge of interest in leveraging artificial intelligence (AI) and machine learning (ML) techniques to in silico experiments. Integrating AI and ML into computational chemistry increases the scalability and speed of the exploration of chemical space. However, challenges remain, particularly regarding the reproducibility and transferability of ML models. This review highlights the evolution of ML in learning from, complementing, or replacing traditional computational chemistry for energy and property predictions. Starting from models trained entirely on numerical data, a journey set forth toward the ideal model incorporating or learning the physical laws of quantum mechanics. This paper also reviews existing computational methods and ML models and their intertwining, outlines a roadmap for future research, and identifies areas for improvement and innovation. Ultimately, the goal is to develop AI architectures capable of predicting accurate and transferable solutions to the Schrödinger equation, thereby revolutionizing in silico experiments within chemistry and materials science.
Microneedles for Enhanced Bacterial Pathogen Inactivation and Accelerated Wound Healing
Authors: Krishnakumar Akshay , Gallina Nicholas L.F. , Sarnaik Devendra , McCain Robyn R , Crain Christa , Tipton Mason , Seleem Mohamed , Bhunia Arun K. , Rahimi Rahim 
Published: May 2024

AbstractBacterial wound infections are a significant socioeconomic concern in the modern healthcare industry owing to increased morbidity, prolonged hospital stay, and mortality. Bacterial infectious agents that colonize the wound bed develop biofilms, acting as a physical barrier that prevents the effective penetration of topical antimicrobials. Further, bacteria in such infectious wounds express a wide range of virulence factors promoting intercellular transmigration and host cell invasion complicating the treatment regimen. To address this need, a water‐dissolvable poly‐vinyl pyrrolidine (PVP), calcium peroxide (CPO) infused microneedle structure (denoted as PVP/CPO MN) for effective transdermal delivery of antimicrobial payload deep into the tissues is developed. Fluid exudate from the wound bed dissolves the PVP/CPO MN enabling the release of CPO deep into the infected wound bed. A slow catalytic decomposition of CPO results in the sustained release of reactive oxygen species (ROS) deep within the infected wound inhibiting the inter‐ and intracellular pathogens. Here, a systematic study of microneedle fabrication and sterilization after complete packaging is conducted to ensure scalability and safe applicability while maintaining mechanical and antibacterial properties. In vitro, antibacterial efficacy of the microneedles is validated against two common wound pathogens, Pseudomonas aeruginosa (P. aeruginosa) and Staphylococcus aureus (S. aureus). Moreover, the PVP/CPO MN exhibited significant efficacy in eradicating both extracellular and intracellular bacterial populations within an in vivo porcine wound model. Additionally, the microneedle technology facilitated a faster wound healing, with ≈30% increase compared to control and a 15% improvement over conventional silver dressing.
Extraction of Dual‐Switch Fluorescent Nanosheets from Asphaltenes under Ambient Conditions
Authors: Wang Channa , Zhang Mi , Du Mingjin , Ding Xiangdong , Xiang Changsheng 
Published: May 2024

AbstractAsphaltene, often regarded as an undesirable by‐product of petroleum processing, possesses abundant reserves but limited market value. In this study, a simple and environmentally friendly solvent extraction method is conducted under ambient conditions to convert low‐value asphaltene into high‐value asphaltene‐based fluorescent carbon nanosheets (a‐FCS). This approach yields dual‐switch a‐FCS capable of emitting orange‐red fluorescence in solid‐state or water environment and exhibiting blue‐to‐yellow fluorescence in organic solvents. Moreover, the redshift observed in the fluorescence emission wavelength in the solvent is attributed to its intrinsic self‐assembly behavior, which becomes more pronounced with increasing concentration. Upon introduction to water, hydrophobic interactions induce the aggregation of a‐FCS. This aggregation triggers the orange‐red fluorescence by restricting intramolecular rotation on the surface, a phenomenon facilitated by the entanglement of aliphatic chains from asphaltene molecules. This unique property makes them applicable in anti‐counterfeiting and determination of ethanol content in aqueous solution.
Lead‐Free High Permittivity Quasi‐Linear Dielectrics for Giant Energy Storage Multilayer Ceramic Capacitors with Broad Temperature Stability
Authors: Wang Xinzhen , Song Xiaojie , Fan Yongbo , Li Linhao , Wang Dawei , Feteira Antonio , Lu Zhilun , Sinclair Derek C. , Wang Ge , Reaney Ian M. 
Published: May 2024

AbstractElectrostatic energy storage capacitors are essential passive components for power electronics and prioritize dielectric ceramics over polymer counterparts due to their potential to operate more reliably at > 100 ˚C. Most work has focused on non‐linear dielectrics compositions in which polarization (P)/electric displacement (D) and maximum field (Emax) are optimized to give values of energy density, 6≤U≤21 J cm−3. In each case however, either saturation (dP/dE = 0, AFE) or “partial” saturation (dP/dE → 0, RFE) of P limits the value of U which can be achieved before breakdown. It is proposed that U can be further improved with respect to relaxors (RFEs) and anti‐ferroelectrics (AFEs) by designing high permittivity quasi‐linear dielectric (QLD) behaviour in which dP/dE remains constant up to ultrahigh Emax. QLD multilayer capacitor prototypes with dielectric layers composed of 0.88NaNb0.9Ta0.1O3‐0.10SrTiO3‐0.02La(Mg1/2Ti1/2)O3 deliver room temperature U ≈ 43.5 J cm−3, supporting an extremely‐large Emax ≈ 280 MV m−1, both of which exceed current state‐of‐art by a factor of two for devices based on powder, tape‐cast technology. Importantly QLD capacitors exhibit scant variation in U (≈15 J cm−3) up to > 200 ˚C and robust resistance to cyclic degradation, offering a promising new approach for the development of sustainable technology.
Associations of obesity, movement behaviors, and socioeconomic status with fundamental movement skills in children: Results from the REACT project
Authors: Praxedes Priscyla , Maia José , Santos Carla , Garbeloto Fernando , Hedeker Donald , Barreira Tiago V. , Garganta Rui , Farias Cláudio , Tani Go , Chaput Jean‐Philippe , Stodden David F. , Katzmarzyk Peter T. , Pereira Sara 
Published: May 2024

AbstractObjectiveTo investigate the relationship of biological characteristics (age, sex, and obesity), movement behaviors (physical activity and sedentary time), and family socioeconomic status with fundamental movement skills (FMS) in primary school children.MethodsThis cross‐sectional study sampled 1014 children (537 girls) aged 6 to 10 years from 25 primary schools in Matosinhos, north of Portugal. Five object control skills (dribbling, kicking, catching, throwing, and underarm rolling) were assessed with a categorical scale using the Meu Educativo® platform. Body Mass Index (BMI) was calculated and transformed into z‐scores. Moderate‐to‐vigorous physical activity (MVPA) and sedentary time were monitored with accelerometry (ActiGraph wGT3X‐BT) for seven consecutive days. Family socioeconomic status (SES) was obtained from the Portuguese social support system. Ordinal multilevel logistic regression was used to analyze the associations of weight status, MVPA, sedentary time and SES with FMS, adjusted for sex and age.ResultsBoys (odds ratio (OR) = 6.54; 95% CI: 5.13–8.36) and older children (OR = 2.04; 95% CI: 1.85–2.26) were more likely to achieve higher FMS scores. Children with obesity (OR = 0.60; 95% CI: 0.45–0.80), those less active (OR = 0.56; 95% CI: 0.42–0.75) and children with more sedentary time (OR = 0.86; 95%CI: 0.77–0.97) were less likely to score high on FMS. Family SES was not significantly associated with FMS scores.ConclusionPrimary school children's FMS are significantly related to biological and behavioral factors but not to family SES. These findings highlight the need for suitable strategies to enhance children's FMS proficiency, considering differences in these characteristics. Fostering adequate motor skill proficiency levels will assist in establishing a robust foundation for healthy lifestyles of all children.
In Situ Transformation of an Amorphous Supramolecular Coating to a Hydrogen‐Bonded Organic Framework Membrane to Trigger Selective Gas Permeation
Authors: Zhang Caiyan , Wang Zhikun , Qiao Lu , Yu Liting , Pang Jia , Feng Yang , Chen Wenmiao , Fan Lili , Wang Rongming , Guo Hailing , Kang Zixi , Sun Daofeng 
Published: May 2024

AbstractWe introduce a “solution‐processing‐transformation” strategy, deploying solvent vapor as scaffolds, to fabricate high‐quality hydrogen‐bonded organic framework (HOF) membranes. This strategy can overcome the mismatch in processing conditions and crystal growth thermodynamics faced during the facile solution processing of the membrane. The procedure includes the vapor‐trigged in situ transformation of dense amorphous supramolecules to crystalline HOF‐16, with HOF‐11 as the transient state. The mechanism involves a vapor‐activated dissolution‐precipitation equilibrium shifting and hydrogen bonding‐guided molecule rearrangement, elucidated through combined experimental and theoretical analysis. Upon removal of the molecular scaffolds, the resulting HOF‐16 membranes showcase significant improvement in hydrogen separation performance over their amorphous counterparts and previously reported HOF membranes. The method's broad applicability is evidenced by successfully extending it to other substrates and HOF structures. This study provides a fundamental understanding of guest‐induced ordered supramolecular assembly and paves the way for the advanced manufacture of high‐performance HOF membranes for gas separation processes.
Energy‐principle‐based analysis of elastic instability in polymer cylinders subject to surface tension
Authors: Huang Dianwu , Liu Hongfei 
Published: May 2024

AbstractAn elastic instability model of polymer cylinder subject to surface tension is studied by energy functional analysis. The no‐classical boundary conditions and equilibrium equation are derived by introducing stress double harmonic function. The criteria of instability with surface tension contribution are deduced by substituting stress solution into boundary conditions. The results show that the criterion equation of elastic instability is relevant to the radius and intrinsic scale and instable wavelength or wavenumber of cylinder. Therefore, the relation between shear modulus and surface tension has the same trend comparing with the result of Barrierès' et al. This study provides insights into the instability of polymer and has important implications for the development of nanoscale cylindrical element in micro electro mechanical systems (MEMS) or nano electro mechanical systems (NEMS).
Two approaches to prepare cationic lignin‐based adsorbents for efficient removal of phosphate ion from wastewater
Authors: Zhang Yihao , Sun Yingnan , Li Haiming , Shi Haiqiang , Niu Meihong , Wang Xing , Chu Tingting , Wang Zhiwei , Guo Yanzhu 
Published: May 2024

AbstractIn this work, two types of cationic lignin‐based adsorbents (AL‐METAC and AL‐GTA) were prepared through free radical polymerization or etherification reaction of alkali lignin with 2,3‐epoxypropyl‐3‐trimethylammonium chloride or methylacrylloxyethyl trimethyl ammonium chloride (METAC). The contents of quaternary ammonium groups in the adsorbents were adjusted by changing the dosages of 2,3‐epoxypropyl‐3‐trimethylammonium chloride and METAC to fabricate the adsorbents with excellent adsorption capacity. The structures, aqueous solubility, and physical properties of adsorbents were analyzed. Meanwhile, the effects of adsorbents dosage, pH value of solution, temperature, and ionic strength on the adsorption capacity of adsorbents were also analyzed. These two types of adsorbents exhibited outstanding affinity for phosphate, with a maximum removal efficiency of 51.8 and 73.2 mg/g, respectively. The adsorption processes followed pseudo‐second‐order and Langmuir models well. In addition, the AL‐GTA exhibited higher removal efficiency than AL‐METAC. Moreover, the AL‐METAC and AL‐GTA still retained 69.7% and 69.0% adsorption capacity after four times regeneration. The fabricated lignin‐based adsorbents have potential applications in the removal of phosphate from wastewater, which would promote the high‐value application of lignin.
Synthesis of star‐shaped epoxy resin with excellent mechanical properties using triazine as a skeleton
Authors: Qiao Fangke , Ji Jiawei , Zhao Chuanqing , Wang Fan , Deng Shifeng 
Published: May 2024

AbstractThe high‐performance development of advanced resin matrix composites has resulted in higher requirements for the mechanical strength and toughness of epoxy resin matrices. However, enhancing the toughness of the epoxy resin while maintaining its mechanical strength remains a considerable challenge. In this study, we utilized triazine rings as the skeleton, and introduced flexible chain segments and other forces into the polymer cross‐linked network to fabricate a star‐shaped epoxy resin (CNE) with exceptional mechanical properties. Benefiting from its meticulously designed rigid‐flexible integrated structure, after curing by 4,4′‐diaminodiphenylmethane (DDM), it demonstrated outstanding mechanical properties. The storage modulus of CNE/DDM was measured at up to 5.48 GPa; moreover, its tensile modulus and strength went as high as 5.04 GPa and 134.72 MPa respectively, and it also exhibited an elongation at break of up to 3.35%. The mechanical properties of CNE/DDM are far superior to those of AFG‐90 (N,N‐diglycidyl‐4‐glycidyloxyaniline)/DDM. Over all, the findings of this study thus provide an effective synthesis pathway toward achieving epoxy resins with high modulus, strength, and toughness.
High‐Throughput Optimization of Magnetoresistance Materials Based on Lock‐In Thermography
Authors: Modak Rajkumar , Hirai Takamasa , Sakuraba Yuya , Mitani Seiji , Oyanagi Koichi , Yamazaki Takumi , Seki Takeshi , Uchida Ken‐ichi 
Published: May 2024

AbstractWith the giant magnetoresistance (GMR) effect serving as a vital component in modern spintronic technologies, researchers are dedicating significant efforts to improve the performance of GMR devices through material exploration and design optimization. However, traditional GMR measurement approaches are inefficient for comprehensive material and device optimization. This study proposes a high‐throughput current‐in‐plane GMR measurement technique based on thermal imaging of Joule heating utilizing lock‐in thermography (LIT). This LIT‐based technique is advantageous for efficiently evaluating films with varying compositions and thickness gradients, which is crucial for ongoing material exploration and design optimization to enhance the GMR ratio. First, it is demonstrated that using CoFe/Cu multilayers, the simple Joule heating measurement based on LIT enables quantitative estimation of the GMR ratio. Then, to confirm the usefulness of the proposed method in high‐throughput material screening, a case study is shown to investigate the GMR of CoCu‐based granular films with a composition gradient. These techniques allow to determine the optimum composition with maximum GMR ratio using the single composition‐gradient film and reveal Co22Cu78as the optimal composition, yielding the largest GMR ratio among the reported polycrystalline CoCu‐based granular films. This demonstration accelerates the material and structural optimization of GMR devices.