bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimized Electrode/Electrolyte Interface Engineering for Dendrite‐Free Al Anode and Self‐Activated Graphite Cathode
Authors: Xie Yuehong , Meng Yi , Liu Mingxia , Wang Shixin , Guo Yuan , Liang Zhongshuai , Du Xianfeng
Published: August 2024

Rechargeable aluminum batteries (RABs) have garnered attention owing to their impressive theoretical capacity, outstanding safety features, and abundant Al reserves, thereby positioning them as a potential alternative and supplement to fixed energy storage. Nonetheless, RABs still suffer from issues, such as poor anode stability stemming from the corrosivity of the chloral aluminate ionic liquid electrolyte (ILs) and subpar wettability of the cathode. To address these issues, the proposed electrolyte interfacial engineering involves the nonionic surfactant (F127) as an interfacial optimizer in ILs, simultaneously modulating the anode–electrolyte and cathode–electrolyte interfaces. Systematic experiments and theoretical analyses validate that F127 preferentially adsorbs on the electrode surface, forming a dense and uniform adsorption layer. The F127 layer can effectively mitigate the corrosion of ILs on the Al anode and regulate the current density to achieve uniform Al deposition. Furthermore, F127 enhances the wettability between the cathode and ILs, preventing the collapse of the graphite structure and enhancing the active material's utilization. The Al//FG full battery assembled with F127 modifying ILs (F127‐0.5) is able to retain a specific capacity of 104.9 mAh g−1 after 1600 cycles, which is higher than ILs (69.0 mAh g−1). This electrolyte interface modification strategy holds considerable practical significance for achieving long‐lifespan and high‐capacity RABs.
Rapid Biofabrication of an Advanced Microphysiological System Mimicking Phenotypical Heterogeneity and Drug Resistance in Glioblastoma
Authors: Pun Sirjana , Prakash Anusha , Demaree Dalee , Krummel Daniel Pomeranz , Sciumè Giuseppe , Sengupta Soma , Barrile Riccardo
Published: August 2024

Microphysiological systems (MPSs) reconstitute tissue interfaces and organ functions, presenting a promising alternative to animal models in drug development. However, traditional materials like polydimethylsiloxane (PDMS) often interfere by absorbing hydrophobic molecules, affecting drug testing accuracy. Additive manufacturing, including 3D bioprinting, offers viable solutions. GlioFlow3D, a novel microfluidic platform combining extrusion bioprinting and stereolithography (SLA) is introduced. GlioFlow3D integrates primary human cells and glioblastoma (GBM) lines in hydrogel‐based microchannels mimicking vasculature, within an SLA resin framework using cost‐effective materials. The study introduces a robust protocol to mitigate SLA resin cytotoxicity. Compared to PDMS, GlioFlow3D demonstrated lower small molecule absorption, which is relevant for accurate testing of small molecules like Temozolomide (TMZ). Computational modeling is used to optimize a pumpless setup simulating interstitial fluid flow dynamics in tissues. Co‐culturing GBM with brain endothelial cells in GlioFlow3D showed enhanced CD133 expression and TMZ resistance near vascular interfaces, highlighting spatial drug resistance mechanisms. This PDMS‐free platform promises advanced drug testing, improving preclinical research and personalized therapy by elucidating complex GBM drug resistance mechanisms influenced by the tissue microenvironment.
Screening and Exploring the Application of the Multifunctional Antioxidant Peptides MSWLC and TSWLC
Authors: Yu Mingtao , Wang Yue , Wang Dayang , Cong Hailin , Yu Bing
Published: August 2024

In this study, an antioxidant pentapeptide library is created based on antioxidant characteristics. The peptides are then purified and separated using liquid chromatography/mass spectrometry (LC/MS) and time‐of‐flight mass spectrometry (TOF). Chemical evaluations identify four peptides with excellent antioxidant activity. The four peptides undergo biocompatibility testing with L‐929, NIH 3T3, and Hep‐G2 cells. A model of hydrogen peroxide‐induced cellular damage in G2 cells shows the peptides' protective and reparative effects against oxidative damage. Two peptides, MSWLC and TSWLC, which perform best overall, are chosen for further analysis. To explore the peptides' potential multifunctionality, acute liver inflammation, keratitis, and aging models are established in mice. MSWLC and TSWLC demonstrate anti‐inflammatory and anti‐aging properties. An antioxidant emulsion prepared by emulsification is found to be non‐irritant in a mouse skin irritation test. In a mouse model exposed to ultraviolet radiation, the sunscreen exhibits excellent UV protection and antioxidant effects. These peptides possess potent antioxidant properties and multifunctionality, indicating broad application potential.
Emergence of Interfacial Magnetism in Strongly‐Correlated Nickelate‐Titanate Superlattices
Authors: Asmara Teguh Citra , Green Robert J. , Suter Andreas , Wei Yuan , Zhang Wenliang , Knez Daniel , Harris Grant , Tseng Yi , Yu Tianlun , Betto Davide , Garcia‐Fernandez Mirian , Agrestini Stefano , Klein Yannick Maximilian , Kumar Neeraj , Galdino Carlos William , Salman Zaher , Prokscha Thomas , Medarde Marisa , Müller Elisabeth , Soh Yona , Brookes Nicholas B. , Zhou Ke‐Jin , Radovic Milan , Schmitt Thorsten
Published: August 2024

Strongly‐correlated transition‐metal oxides are widely known for their various exotic phenomena. This is exemplified by rare‐earth nickelates such as LaNiO3, which possess intimate interconnections between their electronic, spin, and lattice degrees of freedom. Their properties can be further enhanced by pairing them in hybrid heterostructures, which can lead to hidden phases and emergent phenomena. An important example is the LaNiO3/LaTiO3 superlattice, where an interlayer electron transfer has been observed from LaTiO3 into LaNiO3 leading to a high‐spin state. However, macroscopic emergence of magnetic order associated with this high‐spin state has so far not been observed. Here, by using muon spin rotation, x‐ray absorption, and resonant inelastic x‐ray scattering, direct evidence of an emergent antiferromagnetic order with high magnon energy and exchange interactions at the LaNiO3/LaTiO3 interface is presented. As the magnetism is purely interfacial, a single LaNiO3/LaTiO3 interface can essentially behave as an atomically thin strongly‐correlated quasi‐2D antiferromagnet, potentially allowing its technological utilization in advanced spintronic devices. Furthermore, its strong quasi‐2D magnetic correlations, orbitally‐polarized planar ligand holes, and layered superlattice design make its electronic, magnetic, and lattice configurations resemble the precursor states of superconducting cuprates and nickelates, but with an S→1 spin state instead.
Ultrasound‐Activated Probiotics Vesicles Coating for Titanium Implant Infections Through Bacterial Cuproptosis‐Like Death and Immunoregulation
Authors: Li Shuoyuan , Yue Yan , Wang Wenqi , Han Mingyue , Wan Xufeng , Li Qiaochu , Chen Xiaoting , Cao Jian , Zhang Yangming , Li Jiyao , Li Jianshu , Cheng Lei , Yang Jiaojiao , Wang Duan , Zhou Zongke
Published: August 2024

Implant‐associated infections (IAIs) are the main cause of prosthetic implant failure. Bacterial biofilms prevent antibiotic penetration, and the unique metabolic conditions in hypoxic biofilm microenvironment may limit the efficacy of conventional antibiotic treatment. Escaping survival bacteria may not be continually eradicated, resulting in the recurrence of IAIs. Herein, a sonosensitive metal‐organic framework of Cu‐TCPP (tetrakis(4‐carboxyphenyl) porphyrin) nanosheets and tinidazole doped probiotic‐derived membrane vesicles (OMVs) with high‐penetration sonodynamic therapy (SDT), bacterial metabolic state interference, and bacterial cuproptosis‐like death to eradicate IAIs is proposed. The Cu‐TCPP can convert O2 to toxic 1O2 through SDT in the normoxic conditions, enhancing the hypoxic microenvironment and activating the antibacterial activity of tinidazole. The released Cu(II) under ultrasound can be converted to Cu(I) by exogenous poly(tannic acid) (pTA) and endogenous glutathione. The disruption of the bacterial membrane by SDT can enhance the Cu(I) transporter activity. Transcriptomics indicate that the SDT‐enhanced Cu(I) overload and hypoxia‐activated therapy hinder the tricarboxylic acid cycle (TCA), leading to bacterial cuproptosis‐like death. Moreover, the OMVs‐activated therapy can polarize macrophages to a M2‐like phenotype and facilitate bone repair. The sonodynamic biofilm microenvironment modulation strategy, whereby the hypoxia‐enhanced microenvironment is potentiated to synergize SDT with OMVs‐activated therapy, provides an effective strategy for antibacterial and osteogenesis performance.
Unlocking the Potential of Organic‐Inorganic Hybrid Manganese Halides for Advanced Optoelectronic Applications
Authors: Zhang Wei , Zheng Wei , Li Lingyun , Huang Ping , Xu Jin , Zhang Wen , Shao Zhiqing , Chen Xueyuan
Published: August 2024

Organic‐inorganic hybrid manganese(II) halides (OIMnHs) have garnered tremendous interest across a wide array of research fields owing to their outstanding optical properties, abundant structural diversity, low‐cost solution processibility, and low toxicity, which make them extremely suitable for use as a new class of luminescent materials for various optoelectronic applications. Over the past years, a plethora of OIMnHs with different structural dimensionalities and multifunctionalities such as efficient photoluminescence (PL), radioluminescence, circularly polarized luminescence, and mechanoluminescence have been newly created by judicious screening of the organic cations and inorganic Mn(II) polyhedra. Specifically, through precise molecular and structural engineering, a series of OIMnHs with near‐unity PL quantum yields, high anti‐thermal quenching properties, and excellent stability in harsh conditions have been devised and explored for applications in light‐emitting diodes (LEDs), X‐ray scintillators, multimodal anti‐counterfeiting, and fluorescent sensing. In this review, the latest advancements in the development of OIMnHs as efficient light‐emitting materials are summarized, which covers from their fundamental physicochemical properties to advanced optoelectronic applications, with an emphasis on the structural and functionality design especially for LEDs and X‐ray detection and imaging. Current challenges and future efforts to unlock the potentials of these promising materials are also envisioned.
Supramolecular Assembly of Cesium Copper Iodine Resulting in Rich Emission Properties
Authors: Jiang Meifeng , Lu Xinle , Chen Maosheng , Tong Wenyi , Lin Hechun , Luo Chunhua , Peng Hui , Duan Chungang
Published: August 2024

Crown ether‐assisted supramolecular assembly is a robust strategy for manipulating low‐dimensional metal halides. In this study, the supramolecular assembly of 0D‐Cs3Cu2I5 is presented. Upon the addition of 15‐crown‐5 (15C5) to Cs3Cu2I5, 15C5 immediately coordinates with Cs+ to form the cone‐shaped [(15C5)Cs]+. Simultaneously, one of the iodine atoms is removed from the [Cu2I5]3‐ cluster, resulting in the formation of a sub‐planar rhombic [Cu2I4]2− unit. This process leads to white emission, specifically [(15C5)Cs]2[Cu2I4], which exhibits a photoluminescence quantum yield (PLQY) close to unity. The [(15C5)Cs]+ further reacts with 15C5 to form the sandwich‐type cationic structure [(15C5)2Cs]+, accompanied by the generation of red emission [(15C5)2Cs]2[Cu2I4]. By carefully controlling the amount of 15C5, various emission composites can be achieved, particularly tunable white emission. The assembly process is reversible. The pristine Cs3Cu2I5 can be recovered after thermal curing because of the volatility of crown ether and the weak Cs‐crown ether bond. Theoretical calculations have demonstrated that the coordination of the crown ether primarily affects the energy level, leading to changes in the excited state and photophysical properties. The applications in anticounterfeiting and LED phosphors have been demonstrated. This work provides a new approach for the development of low‐dimensional copper halides with promising applications in optoelectronics.
Silicon‐On‐Silicon Carbide Platform for Integrated Photonics
Authors: DeVault Clayton T. , Deckoff‐Jones Skylar , Liu Yuzi , Hammock Ian N. , Sullivan Sean E. , Dibos Alan , Sorce Peter , Orcutt Jason , Awschalom David D. , Heremans F. Joseph , Falk Abram , High Alexander A.
Published: August 2024

Silicon carbide (SiC)'s nonlinear optical properties and applications to quantum information have recently brought attention to its potential as an integrated photonics platform. However, despite its many excellent material properties, such as large thermal conductivity, wide transparency window, and strong optical nonlinearities, it is generally a difficult material for microfabrication. Here, it is shown that directly bonded silicon‐on‐silicon carbide can be a high‐performing hybrid photonics platform that does not require the need to form SiC membranes or directly pattern in SiC. The optimized bonding method yields defect‐free, uniform films with minimal oxide at the silicon–silicon–carbide interface. Ring resonators are patterned into the silicon layer with standard, complimentary metal–oxide–semiconductor (CMOS) compatible (Si) fabrication and measure room‐temperature, near‐infrared quality factors exceeding 105. The corresponding propagation loss is 5.7 dB cm−1. The process offers a wafer‐scalable pathway to the integration of SiC photonics into CMOS devices.
Long‐Infrared Broadband Polarization‐Sensitive Absorber with Metasurface Based on Ladder Network
Authors: Yu Haihong , Liang Zhongzhu , Shi Xiaoyan , Yang Fuming , Xu Haiyang , Wu Zhe , Dai Rui , Smith David R. , Liu Yichun
Published: August 2024

Plasmonic resonant and metamaterial structures allow for manipulating the polarization properties of electromagnetic waves to achieve polarization beam splitting. Broadband polarization‐sensitive metamaterial absorbers based on surface plasmon polaritons have the advantages of high‐energy utilization and excellent stability, which may replace traditional polarizing devices. Here, an absorber based on a ladder network construction is designed theoretically and investigated experimentally. The absorber can possess almost 92% average absorptivity for TM polarization light in 8–12 µm range (experimental result: 83% from 7 to 11 µm). It is especially sensitive to the polarization angle of incident light, and with the increase of polarization angle, the broadband absorption response can present analogously monotonous reduction. The theoretical and experimental results for TE polarization light are 12% and 25%, respectively. The broadband absorption response performs angle insensitive property under oblique incidence. The proposed metamaterial absorber opens a path to realize broadband polarization‐sensitive absorption based on simple nanostructure. It will possess great potential applications in high‐performance polarimetric photodetectors and imaging fields.
Improvement of the Internal Quantum Efficiency of III‐Nitride Blue Micro‐Light‐Emitting Diodes by the Hole Accelerator at the Low Current Density
Authors: Wei An‐Chi , Wang Sheng‐Hsiang , Sze Jyh‐Rou , Pham Quoc‐Hung
Published: August 2024

The hole accelerator is proven to benefit the hole injection for traditional light‐emitting diodes (LEDs) because the induced electric field provides the holes with more kinetic energy to pass through the electron‐blocking layer, enhancing the hole injection efficiency. Herein, the effect of the hole accelerator (HA) layer on the micro‐LEDs by modeling the characteristics of the devices with a current density of lower than 10 A cm−2 is investigated. The simulation results show that the appended HA layer brings a knot of the electric field in the HA layer, leading to higher internal quantum efficiency (IQE) than the device without HA under the low current density. The thickness and composition of HA, the quantum number, and the material of quantum barrier are also simulated and analyzed. The simulated radiative, Shockley–Read–Hall, and Auger recombination rates show that the IQE of the micro‐LED with the HA layer is higher than that without the HA layer under the current density of lower than 10 A cm−2.
Complementary Cost‐Effective Electrochemical Platforms for Point‐Of‐Use Biosensing
Authors: Monaco Mason , Zamani Marjon , Sarram Ava , Kuo Chao‐Chi , Abeyrathne Chathurika , Li Miaosi , Furst Ariel L.
Published: August 2024

The COVID‐19 pandemic has illustrated the urgent need for rapid and affordable point‐of‐use diagnostics. Electrochemical biosensors are useful for such applications because they enable quantitative readout and show drastically improved sensitivity compared to prevalent lateral flow technologies. However, to‐date, the poor quality of commercially‐available, mass‐produced electrodes has prohibited the scaled production and commercialization of such biosensors beyond glucose sensing. Low‐cost gold leaf electrodes have previously been developed that can be fabricated with no specialized equipment at the point‐of‐use. These electrodes are more effective for biosensing than prevalent commercially‐available systems. Yet, their manual fabrication can be tedious and is not scalable in its current form. Here, performance of mass‐produced gold electrodes generated using roll‐to‐roll manufacturing is evaluated, offering the potential to scale production. Upon comparison of these electrodes with the gold leaf, it is found that these electrodes are high quality, equivalent to the gold leaf electrodes, and support biosensing applications through the detection of both DNase I and BtsI‐v2 activity with comparable performance. These results demonstrate the role of complementary technologies to achieve point‐of‐use sensing by enabling flexibility between mass‐produced manufacture and on‐site production.
Hydrochar Utilization for Saline‐Alkali Soil Amelioration and Its Carbon Sequestration Potential Assessment
Authors: Shen Jia , Jiang Zili , Tang Zhichao , Guo Fanke , Shao Hongyun , Ruan Xiuxiu
Published: August 2024

For the current situation of saline‐alkali soil amelioration, it is urgent to explore a multi‐objective amelioration strategy involving crop income increase and environmental benefits. This study used pine‐needle hydrochar to ameliorate saline‐alkali soil and conducted column and pot experiments to investigate its effects on soil properties and crop growth. And the environmental advantages of hydrochar are evaluated through Life Cycle Assessment (LCA). The electrical conductivity, exchangeable sodium percentage, and pH of saline‐alkali soil ameliorated with hydrochar using the column elution method are reduced by 60%, 58%, and 1.2 pH units, respectively, compared to the original soil. Also, the gene copy number of the ameliorated soil has doubled according to qPCR determination. Pot experiment results show that the root length, fresh weight, and germination rate of wheatgrass are increased by 107, 75, and 20%, respectively. These results demonstrated that the exchange of Na+ with H+ released from hydrochar reduced the soil alkalinity and the viability of organisms is enhanced. Moreover, based on this study's data including the hydrochar dosage and wheatgrass yield, the LCA results showed 3.7 × 109 t CO2e carbon sequestration potential and significant environmental benefits.
Crystal Composition Transformer: Self‐Learning Neural Language Model for Generative and Tinkering Design of Materials
Authors: Wei Lai , Li Qinyang , Song Yuqi , Stefanov Stanislav , Dong Rongzhi , Fu Nihang , Siriwardane Edirisuriya M. D. , Chen Fanglin , Hu Jianjun
Published: August 2024

Self‐supervised neural language models have recently achieved unprecedented success from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior performance in the generation, structure classification, and functional predictions for proteins and molecules with learned representations. However, most of the masking‐based pre‐trained language models are not designed for generative design, and their black‐box nature makes it difficult to interpret their design logic. Here a Blank‐filling Language Model for Materials (BLMM) Crystal Transformer is proposed, a neural network‐based probabilistic generative model for generative and tinkering design of inorganic materials. The model is built on the blank‐filling language model for text generation and has demonstrated unique advantages in learning the “materials grammars” together with high‐quality generation, interpretability, and data efficiency. It can generate chemically valid materials compositions with as high as 89.7% charge neutrality and 84.8% balanced electronegativity, which are more than four and eight times higher compared to a pseudo‐random sampling baseline. The probabilistic generation process of BLMM allows it to recommend materials tinkering operations based on learned materials chemistry, which makes it useful for materials doping. The model is applied to discover a set of new materials as validated using the Density Functional Theory (DFT) calculations. This work thus brings the unsupervised transformer language models based generative artificial intelligence to inorganic materials. A user‐friendly web app for tinkering materials design has been developed and can be accessed freely atwww.materialsatlas.org/blmtinker.
Nanomaterials that Aid in the Diagnosis and Treatment of Alzheimer's Disease, Resolving Blood–Brain Barrier Crossing Ability
Authors: Song Qingting , Li Junyou , Li Ting , Li Hung‐Wing
Published: August 2024

As a form of dementia, Alzheimer's disease (AD) suffers from no efficacious cure, yet AD treatment is still imperative, as it ameliorates the symptoms or prevents it from deteriorating or maintains the current status to the longest extent. The human brain is the most sensitive and complex organ in the body, which is protected by the blood–brain barrier (BBB). This yet induces the difficulty in curing AD as the drugs or nanomaterials that are much inhibited from reaching the lesion site. Thus, BBB crossing capability of drug delivery system remains a significant challenge in the development of neurological therapeutics. Fortunately, nano‐enabled delivery systems possess promising potential to achieve multifunctional diagnostics/therapeutics against various targets of AD owing to their intriguing advantages of nanocarriers, including easy multifunctionalization on surfaces, high surface‐to‐volume ratio with large payloads, and potential ability to cross the BBB, making them capable of conquering the limitations of conventional drug candidates. This review, which focuses on the BBB crossing ability of the multifunctional nanomaterials in AD diagnosis and treatment, will provide an insightful vision that is conducive to the development of AD‐related nanomaterials.
Emergent Ferroelectric Nematic and Heliconical Ferroelectric Nematic States in an Achiral “Straight” Polar Rod Mesogen
Authors: Nishikawa Hiroya , Okada Daichi , Kwaria Dennis , Nihonyanagi Atsuko , Kuwayama Motonobu , Hoshino Manabu , Araoka Fumito
Published: August 2024

Ferroelectric nematic liquid crystals (NFLCs) are distinguished by their remarkable polarization characteristics and diverse physical phenomena, sparking significant interest and excitement within the scientific community. To date, over 150 NFLC molecules are developed; however, there are no reports regarding straight linear polar molecules with a parallel alignment of the permanent dipole moment and the molecular axis. The straight polar mesogen nBOE exhibits an enantiotropic NF phase with a wide temperature window (up to 100 K) despite having a longer alkyl chain (up to n = 6) than the critical alkyl chain length of conventional models. Interestingly, nBOE with a medium‐length alkyl chain displays an exotic phase sequence of NF–HCNF–SmXF during the elimination of positional displacement among adjacent molecules. Furthermore, the reflective color modulation of the HCNFLC over the entire VIS‐NIR spectral regime by ultralow E‐field (up to 0.14 V µm−1) is demonstrated.
Design, Synthesis, and Characterization of Al‐Containing Multicomponent Alloys for Hydrogen Storage and Compression
Authors: Marques Felipe , Zepon Guilherme , Petersen Hilke , Felderhoff Michael
Published: August 2024

In this paper, compositions within the TiZrAlCrMn, TiZrAlCrFe, and TiZrAlMnFe alloy systems that form the C14 Laves phase are investigated. The design, synthesis, structural, and hydrogen storage characterizations for an equiatomic and a non‐equiatomic composition for each alloy system are presented. Additionally, the further development of a thermodynamic method for the calculation of pressure‐composition‐isotherms (PCIs) is presented of C14 Laves phase alloys that absorb hydrogen by solid solution. Overall, the results shown in this paper indicate that Al‐containing multicomponent alloys can present promising hydrogen storage performance under high pressures. Nonetheless, high concentrations of aluminum in highly concentrated (equiatomic) alloys can have a negative impact on the hydrogenation properties. The Ti0.29Zr0.05Al0.05Cr0.26Mn0.35 composition showed promising hydrogenation/dehydrogenation properties. The gravimetric capacity of this alloy is ≈1.76 wt.% H2 and the PCIs measured indicate that this material has potential for high‐pressure hydrogen storage and compression applications. The use of the presented thermodynamic model for the design of multicomponent alloys is suggested.
The Combination of Electronic Structure and Lattice Strain Engineering for Multi‐Powered Hydrazine‐Assisted Seawater Electrolysis System at High Current Densities
Authors: Wang Hao‐Yu , Yan Fengxiao , Wang Hao , Zhai Sixiang , Ren Jin‐Tao , Wang Lei , Sun Minglei , Yuan Zhong‐Yong
Published: August 2024

The utilization of hydrazine in aiding water electrolysis presents a promising avenue for achieving highly efficient hydrogen production through energy conversion. Herein, bifunctional electrocatalyst of urchin‐like iron, nickle‐codoped cobalt phosphide supported on Ni foam (FeNi‐CoP/NF) is reported. Benefitting from the combined electronic structure and lattice strain engineering by Fe and Ni‐ codoping, the hydrazine‐assisted seawater electrolysis assembled with FeNi‐CoP/NF as both electrodes can achieve an industrial‐level current density of 1.5 A cm−2 at a record‐setting voltage of 163 mV at 70 °C and sustain stable operation for hundreds of hours in seawater environment. The existence of a potential coincidence region lends credibility to the feasibility of implementing self‐activated hydrazine‐assisted seawater electrolysis. Based on theoretical calculations, the separate and synergistic effects of electronic structure and lattice strain engineering are investigated and an integrated illustration of these two strategies on enhancing hydrogen evolution and hydrazine oxidation activity is provided. Moreover, an innovative multi‐powered hydrogen generation system featuring a direct hydrazine fuel cell, rechargeable Zn‐hydrazine battery, and hydrazine‐assisted seawater electrolysis is proposed, underscoring the unique advantages of hydrazine oxidation reaction and its prospective contribution to electrochemical energy conversion technologies powered by sustainable sources.
Polymorph‐Dependent Multi‐Level Supramolecular Self‐Assembly and Local Charge Transport of a Conjugated Polymer in Solution and Solid States
Authors: Deng Junyang , Zheng Wenhao , Wang Yun , Cheng Miao , Jin Qingqing , Ke Yubin , Zheng Zilong , Janssen René A. J. , Li Ling , Liu Ming , Wang Hai I. , Li Mengmeng
Published: August 2024

The polymorphic behavior of conjugated polymers enables tunable optoelectronic properties, but their transport mechanism remains elusive due to the inherent complexity and uncontrollability of polymorphic self‐assembly behaviors and electronic processes at various length scales, alongside the ambiguous relationship between solution and solid states. Herein, precise control of multi‐level supramolecular self‐assembly of a polymorphic conjugated polymer, N‐PDPP4T‐HD with two distinct semi‐crystalline aggregated phases (β1 and β2) via solvent engineering is demonstrated. β1 forms 1D worm‐like nanostructures in solution, whereas β2 generates 2D nanoscale lamellar configuration, confirmed by experimental observation and molecular dynamic simulation. Such solution‐state features are inherited in the solid state (1D nanofibers for β1 and 2D granular‐like structures for β2). X‐ray characterizations reveal larger crystalline domains on the nanometer scale, reduced π‐stacking distance on the Ångstrom scale, and diminished paracrystallinity disorder for solid‐state β2. Going beyond conventional DC transistor characterizations, contact‐free ultrafast terahertz spectroscopy to unveil AC short‐range, intrinsic transport properties is employed. Longer charge carrier scattering time and thus intrinsic mobility of β2 result in threefold higher short‐range photoconductivity than β1. This work establishes the “solution structure – solid structure – local transport” relation in polymorphic conjugated polymers and provides new opportunities for high‐performance plastic electronic devices.
Target Material Property‐Dependent Cluster Analysis of Inorganic Compounds
Authors: Sato Nobuya , Takahashi Akira , Kiyohara Shin , Terayama Kei , Tamura Ryo , Oba Fumiyasu
Published: August 2024

The cluster analysis of materials categorizes them according to similarities based on the features of materials, providing insight into the relationship between the materials. Conventional cluster analyses typically use basic features derived from the chemical composition and crystal structure without considering target material properties such as the bandgap and dielectric constant. However, such approaches do not meet demands for grading materials according to properties of interest simultaneously with chemical and structural similarities. Herein, a clustering method grouping similar materials in terms of both the target properties and basic features is proposed. The clustering is compared considering the cohesive energy with that considering the bandgap of metal oxides, showing that their categorizations are clearly different. Further, several clusters classified by the bandgap are analyzed, and coordination environments related to each range of the bandgap are revealed. The clustering for the electronic static dielectric constant identifies a cluster involving several perovskite‐type oxides and balancing with the bandgap near the Pareto front. The method enables analyses with different viewpoints from those of the conventional clustering and feature importance analyses by taking the relationship between the target property and the basic features into account.
In‐Situ Rheology Measurements via Machine‐Learning Enhanced Direct‐Ink‐Writing
Authors: Weeks Robert D. , Ruddock Jennifer M. , Berrigan J. Daniel , Lewis Jennifer A. , Hardin James. O.
Published: August 2024

Direct ink writing, an extrusion‐based 3D printing method, is well suited for high‐mix low‐volume manufacturing. However, an iterative approach, using random selection or constant expert guidance, is still used to create printable inks and optimize printing parameters by expending significant amounts of time, materials, and effort. Herein, a machine learning (ML) model that estimates ink rheology in‐situ from a simple printed test pattern is reported. This ML model is trained with a rheologically diverse set of inks composed of different polymers. The model successfully correlated features of the simple printed test pattern to rheological properties, which could, in theory, inform both printed structures and future ink compositions. The behavior of this model is verified and analyzed with explainable artificial intelligence tools, linking printed feature importance to one's known physical understanding of the process.
DNA‐Intercalating Supramolecular Hydrogels for Tunable Thermal and Viscoelastic Properties
Authors: Hughes Shaina M. , Aykanat Aylin , Pierini Nicholas G. , Paiva Wynter A. , Weeks April A. , Edwards Austin S. , Durant Owen C. , Oldenhuis Nathan J.
Published: August 2024

Polymeric supramolecular hydrogels (PSHs) leverage the thermodynamic and kinetic properties of non‐covalent interactions between polymer chains to govern their structural characteristics. As these materials are formed via endothermic or exothermic equilibria, their thermal response is challenging to control without drastically changing the nature of the chemistry used to join them. In this study, we introduce a novel class of PSHs utilizing the intercalation of double‐stranded DNA (dsDNA) as the primary dynamic non‐covalent interaction. The resulting dsDNA intercalating supramolecular hydrogels (DISHs) can be tuned to exhibit both endothermically or exothermically driven binding through strategic selection of intercalators. Bifunctional polyethylene glycol (MW~2000 Da) capped with intercalators of varying hydrophobicity, charge, and size (acridine, psoralen, thiazole orange, and phenanthridine) produced DISHs with comparable moduli (500–1000 Pa), but unique thermal viscoelastic responses. Notably, acridine‐based cross‐linkers displayed invariant and even increasing relaxation times with temperature, suggesting an endothermic binding mechanism. This methodology expands the set of structure‐properties available to biomass‐derived DNA biomaterials and promises a new material system where a broad set of thermal and viscoelastic responses can be obtained due to the sheer number and variety of intercalating molecules.
Synergistic C2H2 Binding Sites in Hydrogen‐Bonded Supramolecular Framework for One‐Step C2H4 Purification from Ternary C2 Mixture
Authors: Ji Zhenyu , Li Qing , Zhou Yunzhe , Krishna Rajamani , Hong Maochun , Wu Mingyan
Published: August 2024

Purification of C2H4 from the ternary C2 hydrocarbon mixture in one step is of critical significance but still extremely challenging according to its intermediate physical properties between C2H6 and C2H2. Hydrogen‐bonded organic frameworks (HOFs) stabilized by supramolecular interactions are emerging as a new kind of adsorbents that facilitate green separation. However, it remains a problem to efficiently realize the one‐step C2H4 purification from C2H6/C2H4/C2H2 mixture because of the low C2H2/C2H4 selectivity. We herein report a robust microporous HOF (termed as HOF‐TDCPB) with dense O atoms and aromatic rings distributed on the pore surface which provide C2H6 and C2H2 preferred environment simultaneously. Dynamic breakthrough experiments indicate that HOF‐TDCPB can not only obtain high‐purity C2H4 from binary C2 mixture, but also firstly realize one‐step C2H4 purification from ternary C2H6/C2H4/C2H2 mixture, with the C2H4 productivity of 3.2 L/kg (>99.999 %) for one breakthrough cycle. Furthermore, HOF‐TDCPB displays outstanding stability in air, organic solvents and water, which endow it excellent cycle performance even under high‐humidity conditions. Theoretical calculations indicate that multiple O sites on pore channels can create synergistic binding sites for C2H2, thus affording overall stronger multipoint interactions.
Facile one‐pot synthesis of N‐pyridinylaminonaphthol derivatives and their antibacterial evaluation against multidrug‐resistant Staphylococcus aureus
Authors: Bakchi Bulti , Maddipatla Sarvan , Gupta Khushi , Singampalli Anuradha , Saxena Deepanshi , Maitra Rahul , Agnivesh Puja K. , Kalia Nitin P. , Nanduri Srinivas , Chopra Siddharth , Yaddanapudi Venkata M.
Published: August 2024

The escalating severity of the menace posed by bacterial resistance has rendered the existing antibiotics less effective, thus necessitating the discovery of new antibacterial agents. The current study reports the exploration of substituted N‐pyridinylaminonaphthols produced by a straightforward, one‐pot multicomponent reaction process as antibacterial agents. The synthesized derivatives were assessed in vitro for their antibacterial properties against a panel of bacterial pathogens. The analogs 4b, 4g, 4h, 4i, 4j, 4l, 4r, and 4t exhibited potent inhibitory activity with minimum inhibitory concentration (MIC) values of 1–2 µg/mL. Notably, 4b, 4l, and 4t displayed an excellent selectivity index. Additionally, they were active against the multidrug‐resistant bacterial strains, with 4l exhibiting the best activity against methicillin‐resistant Staphylococcus aureus and vancomycin resistant staphylococcus aureus with a MIC of 1 µg/mL. 4l showed synergism with gentamycin and showed bactericidal property in a concentration‐dependent manner. Furthermore, the molecule 4l inhibited the DNA gyrase supercoiling activity. Absorption, distribution, metabolism, excretion/toxicity parameters and pharmacokinetic properties were assessed via in silico techniques, which elucidate the potential mode of action. These findings demonstrate the potential of the N‐pyridinylaminonaphthol derivatives as antibacterial agents against multidrug‐resistant S. aureus.
Synthesis, in vitro anticancer activity, and pharmacokinetic profiling of the new tetrahydropyrimidines: Part I
Authors: Milović Emilija , Ristovski Jovana Trifunović , Stefanović Srđan , Petronijević Jelena , Joksimović Nenad , Matić Ivana Z. , Đurić Ana , Ilić Bojana , Klisurić Olivera , Radan Milica , Nikolić Katarina , Janković Nenad
Published: August 2024

Different vanillin‐based aldehydes were used to synthesize novel tetrahydropyrimidines (THPMs) via conventional Biginelli reaction. The THPMs were tested against human normal cells (MRC‐5) and cancer cell lines (HeLa, K562, and MDA‐MB‐231). With IC50 values of 10.65, 10.70, and 12.76 µM, compounds 4g, 4h, and 4i exerted the strongest cytotoxic effects against K562 cells. The best activity was achieved for 4g on MDA‐MB‐231 cells (IC50 = 9.20 ± 0.14 µM). The effects of compounds 4g, 4h, and 4i on the cell‐cycle phase distribution of K562 cells were analyzed. Principal component analysis was carried out for the chemometrics analysis to comprehend the relationship between the anticancer activity of the THPMs, pharmacokinetic properties, and partition coefficients, as well as the relationship between the chromatographic behavior and retention parameters. The highest retention rates are found for molecules 4g, 4h, and 4i, which have the longest carbon chains, indicating that the length of the alkyl chain positively affects the molecule's anticancer activity but only if the number of carbon atoms is not higher than seven. Additionally, molecular docking analysis was performed to determine the preferred binding modes of the investigated ligands (4g, 4h, and 4i) with a DNA dodecamer and bovine serum albumin.
The logic behind cyberchondria: Longitudinal relations among risk perception, health anxiety, and online health information seeking
Authors: Song Yanhui , Min Deyu
Published: August 2024

The cyberchondria phenomenon presents a significant health concern, yet there remains a relative scarcity of research on the formation mechanisms of cyberchondria and its longitudinal studies. Based on the RISP model and C‐A‐C framework, this study aimed to examine the longitudinal associations between risk perception, health anxiety, and online health information seeking (OHIS) within the context of Chinese social media. We used a three‐wave longitudinal survey with 514 participants at one‐month intervals starting September 2023, employing the Random Intercept Cross‐Lagged Panel Model (RI‐CLPM) for data analysis. At the between‐person level, we solely observed significant negative associations between health anxiety and OHIS. At the within‐person level, (1) positively bidirectional associations were noted among the three main variables; (2) causal relationships were identified between risk perception and OHIS, as well as between health anxiety and OHIS; (3) Health anxiety partially mediated the relationship between risk perception and OHIS, and OHIS fully mediated the relationship between health anxiety at T1 and T3; and (4) multi‐group analyses showed that gender differences in RI‐CLPM were significant, while age differences were insignificant. The results offer theoretical and practical insights for health practitioners, information seekers, and social media platforms.
A comprehensive review on fructosyl peptide oxidase as an important enzyme for present hemoglobin A1c assays
Authors: Rahmatabadi Seyyed Soheil , Bashiri Hoda , Soleymani Bijan
Published: August 2024

Glycated proteins are generated by binding of glucose to the proteins in blood stream through a nonenzymatic reaction. Hemoglobin A1c (HbA1c) is a glycated protein with glucose at the N‐terminal of β‐chain. HbA1c is extensively used as an indicator for assessing the blood glucose concentration in diabetes patients. There are different conventional clinical methods for the detection of HbA1c. However, enzymatic detection method has newly obtained great attention for its high precision and cost‐effectiveness. Today, fructosyl peptide oxidase (FPOX) plays a key role in the enzymatic measurement of HbA1c, and different companies have marketed HbA1c assay systems based on FPOX. Recent investigations show that FPOX could be used in assaying HbA1 without requiring HbA1c primary digestion. It could also be applied as a biosensor for HbA1c detection. In this review, we have discussed the recent improvements of FPOX properties, different methods of FPOX purification, solubility, and immobilization, and also the use of FPOX in HbA1c biosensors.
The interplay between doxorubicin chemotherapy, antioxidant system, and cardiotoxicity: Unrevealing of the protective potential of tannic acid
Authors: Kansu Guldemet , Ozturk Neslihan , Karagac Medine Sibel , Yesilkent Esra Nur , Ceylan Hamid
Published: August 2024

Cardiotoxicity is the leading side effect of anthracycline‐based chemotherapy. Therefore, it has gained importance to reveal chemotherapy‐supporting strategies and reliable agents with their mechanisms of action. Tannic acid (TA), a naturally occurring plant polyphenol, has diverse physiological effects, including anti‐inflammatory, anticarcinogenic, antioxidant, and radical scavenging properties. Therefore, this study was designed to investigate whether TA exerts a protective effect on mechanisms contributing to anthracycline‐induced cardiotoxicity in rat heart tissues exposed to doxorubicin (DOX). Rats were randomly divided into control and experimental groups and treated with (18 mg/kg) DOX, TA (50 mg/kg), and DOX + TA during the 2 weeks. Cardiac gene markers and mitochondrial DNA (mtDNA) content were evaluated in the heart tissues of all animals. In addition to major metabolites, mRNA expression changes and biological activity responses of components of antioxidant metabolism were examined in the heart tissues of all animals. The expression of cardiac gene markers increased by DOX exposure was significantly reduced by TA treatment, whereas mtDNA content, which was decreased by DOX exposure, was significantly increased. TA also improved antioxidant metabolism members' gene expression and enzymatic activity, including glutathione peroxidase, glutathione s‐transferase, superoxide dismutase, catalase, and thioredoxin reductase. This study provides a detailed overview of the current understanding of DOX‐induced cardiotoxicity and preventive or curative measures involving TA.
A potent formula against triple‐negative breast cancer—sorafenib‐carbon nanotubes‐folic acid: Targeting, apoptosis triggering, and bioavailability enhancing
Authors: Nabawi Hossam M. S. , Abdelazem Ahmed Z. , El Rouby Waleed M. A. , El‐Shahawy Ahmed A. G.
Published: August 2024

Triple‐negative breast cancer (TNBC) has short survival rates. This study aimed to prepare a novel formula of sorafenib, carbon nanotubes (CNTs), and folic acid to be tested as a drug delivery system targeting versus TNBC compared with free sorafenib and to evaluate the formula stability, in vitro pharmacodynamic, and in vivo pharmacokinetic properties. The formula preparation was done by the synthesis of polyethylene glycol bis amine linker, CNT PEGylation, folic acid attachment, and sorafenib loading. The prepared formula has been characterized using X‐ray diffraction, Flourier‐transform infrared, 1HNMR, UV, high resolution–transmission electron microscope, field emission scanning electron microscopy, and Zeta potential. In vitro studies included drug release determination, MTT assay, flow cytometry to determine the apoptotic stage with percent, cell cycle analysis, and apoptotic marker assays for caspase‐3, 8, 9, cytochrome c, and BCL‐2. The in vivo study was performed to determine bioavailability and half‐life in rats. The in vitro MTT antiproliferative assay revealed that the formula was threefold more cytotoxic toward TNBC cells than free sorafenib, and the flow cytometry showed a significant increase in apoptosis and necrosis. The formula has a greater inhibitory effect on BCL‐2 and a lessening effect on cytochrome c and caspases 3, 8, and 9 than free sorafenib. In vivo experiments proved that our novel formula was superior to free sorafenib by increasing bioavailability by eight times and prolonging the half‐life by three times. These results confirmed the successful preparation of the desired formula with better pharmacodynamic and pharmacokinetic properties. These promising results may show a novel therapeutic strategy for TNBC patients.
Pluripotent stem cell‐derived organoids: A brief history of curiosity‐led discoveries
Authors: Lancaster Madeline A.
Published: August 2024

Organoids are quickly becoming an accepted model for understanding human biology and disease. Pluripotent stem cells (PSC) provide a starting point for many organs and enable modeling of the embryonic development and maturation of such organs. The foundation of PSC‐derived organoids can be found in elegant developmental studies demonstrating the remarkable ability of immature cells to undergo histogenesis even when taken out of the embryo context. PSC‐organoids are an evolution of earlier methods such as embryoid bodies, taken to a new level with finer control and in some cases going beyond tissue histogenesis to organ‐like morphogenesis. But many of the discoveries that led to organoids were not necessarily planned, but rather the result of inquisitive minds with freedom to explore. Protecting such curiosity‐led research through flexible funding will be important going forward if we are to see further ground‐breaking discoveries.
Health Care Provider Clustering Using Fusion Penalty in Quasi‐Likelihood
Authors: Liu Lili , He Kevin , Wang Di , Ma Shujie , Qu Annie , Luan Yihui , Miller J. Philip , Song Yizhe , Liu Lei
Published: August 2024

There has been growing research interest in developing methodology to evaluate the health care providers' performance with respect to a patient outcome. Random and fixed effects models are traditionally used for such a purpose. We propose a new method, using a fusion penalty to cluster health care providers based on quasi‐likelihood. Without any priori knowledge of grouping information, our method provides a desirable data‐driven approach for automatically clustering health care providers into different groups based on their performance. Further, the quasi‐likelihood is more flexible and robust than the regular likelihood in that no distributional assumption is needed. An efficient alternating direction method of multipliers algorithm is developed to implement the proposed method. We show that the proposed method enjoys the oracle properties; namely, it performs as well as if the true group structure were known in advance. The consistency and asymptotic normality of the estimators are established. Simulation studies and analysis of the national kidney transplant registry data demonstrate the utility and validity of our method.