bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design Strategies for High Performance of Proton Exchange Fuel Cells with Ti‐Sputtered Carbon Nanotube Sheet Functional Layer
Authors: Oh Hyoun‐myoung , Park Junghyun , Park Gyutae , Baek Jiwon , Youn Junseo , Yang Seonghyeon , Na Juho , Kim Dongjin , Lim Jooyoung , Lee Hosin , Jeong Youngjin , Park Taehyun 
Published: September 2024

AbstractOptimizing both performance and stability under varying relative humidity (RH) conditions is crucial for proton exchange membrane fuel cells (PEMFCs). Therefore, effective management of mass transfer and water is an essential key factor. To further improve performance and stability, this paper reports a novel PEMFC design strategy that introduces carbon nanotube (CNT) sheets with titanium (Ti) deposited onto them as an additional functional layer using the sputtering method. The Ti‐CNT (as Ti‐deposited CNT is abbreviated to Ti‐CNT) sheets are inserted between the catalyst layer (CL) and the gas diffusion layer (GDL). This exhibit enhances performance across all testing conditions (25‐100% RH), which is attributed to their optimal pore structure and hydrophilic properties. It shows up to ≈94% higher power density and ≈60% improvement in charge transfer resistance compared to conventional. Moreover, stability tests conducted under a constant voltage demonstrated that this innovative design strategy significantly reduced degradation, thereby proving its superior stability. This novel design strategy of inserting Ti‐CNTs as a functional layer improves electrochemical performance and stability.
Fault‐Tolerant and On‐Demand Supra Tough Adhesive Natural Albumin‐Based Organohydrogels
Authors: Chen Hong , Yang Jia , Liu Zhuangzhuang , Li Yiying , Tang Ziqing , Shi Xinlei , Chen Qiang 
Published: September 2024

AbstractAdhesive hydrogels play a crucial role in numerous applications across fields such as wound dressing, biomedical implants, and flexible electronics. Despite recent efforts on hydrogel design, reconciling the conflicting requirements of adaptability to rough surfaces and intrinsic strength remains elusive for self‐adhesive hydrogels. To address this challenge, a novel strategy is proposed where conformal contact between hydrogels and solids is initially established in a weak state, followed by reinforcement to enhance strength and toughness. Illustrating this approach, bovine serum albumin (BSA) is employed to incorporate a flexible synthetic polymer network, resulting in soft and adhesive organohydrogels (OHGs) with instantaneous and reversible adhesion on various substrates, providing fault‐tolerant operation convenience. A brief on‐demand heating step transforms them into a strong and supra‐adhesive state by forming a rigid BSA network and establishing a double network (DN) structure. The resulting BSA based DN OHGs demonstrate remarkably enhanced bulk mechanical strength and exceptional interfacial toughness on diverse nonporous solid substrates, allowing for on‐demand permanent fixation. This approach integrates fault‐tolerance and permanent fixation into a single material, highlighting the potential of these natural albumin based OHGs as advanced functional materials for diverse applications, including artisanal restoration, and all‐season flexible sensors.
An Environmentally Stable, Biocompatible, and Multilayered Wound Dressing Film with Reversible and Strong Adhesion
Authors: Chen Baohong , He Bingzhi , Tucker Alexander M. , Biluck Ian , Leung Thomas H. , Schaer Thomas P. , Yang Shu 
Published: September 2024

AbstractReversible adhesives for wound care improve patient experiences by permitting reuse and minimizing further tissue injury. Existing reversible bandages are vulnerable to water and can undergo unwanted deformation during removal and readdressing procedures. Here, a biocompatible, multilayered, reversible wound dressing film that conforms to skin and is waterproof is designed. The inner layer is capable of instant adhesion to various substrates upon activation of the dynamic boronic ester bonds by water; intermediate hydrogel layer and outer silicone backing layer can enhance the dressing's elasticity and load distribution for adhesion, and the silicone outer layer protects the dressing from exposure to water. The adhesive layer is found to be biocompatible with mouse skin. Skin injuries on the mouse skin heal more rapidly with the film compared to no dressing controls. Evaluations of the film on skin of freshly euthanized minipigs corroborate the findings in the mouse model. The film remains attached to skins without delamination despite subjecting to various degrees of deformation. Exposure to water softens the film to allow removal from the skin without pulling any hair off. The multilayered design considers soft mechanics in each layer and will offer new insights to improve wound dressing performance and patient comfort.
Universal Ensemble‐Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
Authors: Hung Nguyen Tuan , Okabe Ryotaro , Chotrattanapituk Abhijatmedhi , Li Mingda 
Published: September 2024

AbstractOptical properties in solids, such as refractive index and absorption, hold vast applications ranging from solar panels to sensors, photodetectors, and transparent displays. However, first‐principles computation of optical properties from crystal structures is a complex task due to the high convergence criteria and computational cost. Recent progress in machine learning shows promise in predicting material properties, yet predicting optical properties from crystal structures remains challenging due to the lack of efficient atomic embeddings. Here, Graph Neural Network for Optical spectra prediction (GNNOpt) is introduced, an equivariant graph‐neural‐network architecture featuring universal embedding with automatic optimization. This enables high‐quality optical predictions with a dataset of only 944 materials. GNNOpt predicts all optical properties based on the Kramers‐Krönig relations, including absorption coefficient, complex dielectric function, complex refractive index, and reflectance. The trained model is applied to screen photovoltaic materials based on spectroscopic limited maximum efficiency and search for quantum materials based on quantum weight. First‐principles calculations validate the efficacy of the GNNOpt model, demonstrating excellent agreement in predicting the optical spectra of unseen materials. The discovery of new quantum materials with high predicted quantum weight, such as SiOs, which host exotic quasiparticles with multifold nontrivial topology, demonstrates the potential of GNNOpt in predicting optical properties across a broad range of materials and applications.
Capping Ligand Engineering of Cadmium‐Free AIZS Quantum Dots Toward Bright Electroluminescent Light‐Emitting Diodes by All‐Solution Process
Authors: Liu Yongfeng , Wang Xinyi , Gao Zhaoju , Yu Wenbin , Yang Jinpeng , Xu Feng , Pei Wei , Wang Jia , Zhou Min 
Published: September 2024

AbstractCadmium‐free AgInZnS (AIZS) quantum dots (QDs) have garnered significant research interest for applications in light‐emitting diodes (LEDs); however, their performance remains limited by insulating long‐chain ligands. In this study, highly fluorescent orange‐emitting AIZS QDs are synthesized by replacing long‐chain 1‐dodecanethiol (DDT) with short‐chain 1‐octanethiol (OTT), achieving photoluminescence quantum yields of up to 80% in solution and 60% in film. The incorporation of OTT in combination with oleic acid and oleylamine as co‐capping ligands enabled excellent dispersion of the QDs in non‐polar solvents. The resulting OTT‐capped AIZS QDs exhibited improved film smoothness and reduced nonradiative recombination. Furthermore, all‐solution‐processed QD light‐emitting diodes (QLEDs) are fabricated comprising indium tin oxide/poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate/hole transporting layer/AIZS QDs/ZnO electron transporting layer/Al. The effects of OTT capping and the thickness of the AIZS emitting layer on device performance are systematically evaluated. As a result, the QLEDs demonstrated enhanced luminance and current efficiency, reaching 515 cd m−2 and 0.4 cd A−1 respectively, representing improvements of over 50% and 33% compared to devices utilizing DDT‐capped AIZS QDs. This study presents a facile and effective approach for developing high‐brightness AIZS QLEDs.
Breakthrough Conductivity Enhancement in Deep Eutectic Solvents via Grotthuss‐Type Proton Transport
Authors: Prado Desiree Mae , Robledo Alan , Hightower Katherine , Jahng Anthony , Doherty Brian , Poling Kayla , Tuckerman Mark , Burda Clemens 
Published: September 2024

AbstractThere is an increasing demand for the development of ion‐conducting electrolytes for energy storage systems. Much attention is directed toward deep eutectic solvents as potential candidates. In the search for highly conductive systems, the possibility of designing deep eutectic solvents with Grotthuss‐type proton transport is widely overlooked. Herein, ethaline, a mixture of choline chloride and ethylene glycol is used in a 1:2 molar ratio, to induce a significant conductivity increase with the addition of water and sulfuric acid (H2SO4). The achieved breakthrough conductivity is analyzed experimentally and simulated with ab initio molecular dynamics (AIMD). At sufficient water content, an H‐bonding network is formed that leads to a significant breakthrough conductivity based on H2SO4‐derived proton transfer following the long‐established Grotthuss proton transport mechanism. This result is substantiated by the positive deviation from the ideal KCl line in the Walden plot. Specifically, the data series positioned above the reference line indicates a Grotthuss mechanism in action. The AIMD simulations demonstrate proton transfer between water and ethylene glycol, supported by simulation frames captured at various times.
Construction of Fused Azacyclic Systems via Cascade Cyclizations of Vinyl Sulfonium Salts
Authors: Zhu Yannan , Wang Wei , Guo Shanshan , Ye Xinxin , Fang Bo , Qi Gang 
Published: September 2024

AbstractIn this work cascade cyclizations of vinyl sulfonium salts with either indolyl chalcones or ortho‐amino trifluoroacetophenones are described. This protocol enables the assembly of fused 2,3‐dihyro‐1H‐pyrrolo[1,2‐a]indoles and fused tetrahydroquinolines containing a CF3‐substituted tetrasubstituted carbon stereocenters.
Mitochondrial tRNAGlu 14693A > G Mutation, an “Enhancer” to the Phenotypic Expression of Leber's Hereditary Optic Neuropathy
Authors: Jin Lihao , Gan Dingyi , He Wentao , Wu Na , Xiang Shuchenlu , Wei Yinsheng , Eriani Gilbert , Ji Yanchun , Guan Min‐Xin , Wang Meng 
Published: September 2024

AbstractLeber's hereditary optic neuropathy (LHON), a maternally inherited ocular disease, is predominantly caused by mitochondrial DNA (mtDNA) mutations. Mitochondrial tRNA variants are hypothesized to amplify the pathogenic impact of three primary mutations. However, the exact mechanisms remained unclear. In the present study, the synergistic effect of the tRNAGlu 14693A > G and ND6 14484T > C mutations in three Chinese families affected by LHON is investigated. The m.14693A > G mutation nearly abolishes the pseudouridinylation at position 55 of tRNAGlu, leading to structural abnormalities, decreased stability, aberrant mitochondrial protein synthesis, and increased autophagy. In contrast, the ND6 14484T > C mutation predominantly impairs complex I function, resulting in heightened apoptosis and virtually no induction of mitochondrial autophagy compared to control cell lines. The presence of dual mutations in the same cell lines exhibited a coexistence of both upregulated cellular stress responses to mitochondrial damage, indicating a scenario of autophagy and mutation dysregulation within these dual‐mutant cell lines. The data proposes a novel hypothesis that mitochondrial tRNA gene mutations generally lead to increased mitochondrial autophagy, while mutations in genes encoding mitochondrial proteins typically induce apoptosis, shedding light on the intricate interplay between different genetic factors in the manifestation of LHON.
Engineered Macrophage Membrane‐Coated S100A9‐siRNA for Ameliorating Myocardial Ischemia‐Reperfusion Injury
Authors: Lu He , Wang Junzhuo , Chen Ziwei , Wang Jing , Jiang Yaohui , Xia Zequn , Hou Ya , Shang Pingping , Li Rutian , Liu Yuyong , Xie Jun 
Published: September 2024

AbstractDespite the widespread adoption of emergency coronary reperfusion therapy, reperfusion‐induced myocardial injury remains a challenging issue in clinical practice. Following myocardial reperfusion, S100A8/A9 molecules are considered pivotal in initiating and regulating tissue inflammatory damage. Effectively reducing the S100A8/A9 level in ischemic myocardial tissue holds significant therapeutic value in salvaging damaged myocardium. In this study, HA (hemagglutinin)‐ and RAGE (receptor for advanced glycation end products)‐ comodified macrophage membrane‐coated siRNA nanoparticles (MMM/RNA NPs) with siRNA targeting S100A9 (S100A9‐siRNA) are successfully prepared. This nanocarrier system is able to target effectively the injured myocardium in an inflammatory environment while evading digestive damage by lysosomes. In vivo, migration of MMM/RNA NPs to myocardial injury lesions is confirmed in a myocardial ischemia‐reperfusion injury (MIRI) mouse model. Intravenous injection of MMM/RNA NPs significantly reduced S100A9 levels in serum and myocardial tissues, further decreasing myocardial infarction area and improving cardiac function. Targeted reduction of S100A8/A9 by genetically modified macrophage membrane‐coated nanoparticles may represent a new therapeutic intervention for MIRI.
ImputeHiFI: An Imputation Method for Multiplexed DNA FISH Data by Utilizing Single‐Cell Hi‐C and RNA FISH Data
Authors: Fan Shichen , Dang Dachang , Gao Lin , Zhang Shihua 
Published: September 2024

AbstractAlthough multiplexed DNA fluorescence in situ hybridization (FISH) enables tracking the spatial localization of thousands of genomic loci using probes within individual cells, the high rates of undetected probes impede the depiction of 3D chromosome structures. Current data imputation methods neither utilize single‐cell Hi‐C data, which elucidate 3D genome architectures using sequencing nor leverage multimodal RNA FISH data that reflect cell‐type information, limiting the effectiveness of these methods in complex tissues such as the mouse brain. To this end, a novel multiplexed DNA FISH imputation method named ImputeHiFI is proposed, which fully utilizes the complementary structural information from single‐cell Hi‐C data and the cell type signature from RNA FISH data to obtain a high‐fidelity and complete spatial location of chromatin loci. ImputeHiFI enhances cell clustering, compartment identification, and cell subtype detection at the single‐cell level in the mouse brain. ImputeHiFI improves the recognition of cell‐type‐specific loops in three high‐resolution datasets. In short, ImputeHiFI is a powerful tool capable of imputing multiplexed DNA FISH data from various resolutions and imaging protocols, facilitating studies of 3D genome structures and functions.
Including non‐growing season emissions of N2O in US maize could raise net CO2e emissions by 31% annually
Authors: Buma Brian 
Published: September 2024

AbstractNitrous oxide (N2O) is a significant greenhouse gas and the most important currently emitted ozone depleting substance, primarily via agricultural fertilization. Current N2O emission estimation methods at the national scale are predominantly via emission factors. Models estimating national‐scale emissions are focused on growing season emissions. However, a substantial fraction of N2O can be emitted during non‐growing season periods. Using newly published off‐season N2O emission ratio maps and high‐resolution nitrogen application data, this study explores the potential magnitude of underestimated N2O emissions if using only the default growing‐season focused methodology. Although there is large variation at county scales (12%–35%), non‐growing season national emissions are estimated at 31% of the total, a potential 12,000 Gg CO2e year−1. Further work should better refine emission estimates spatially as well as fully integrate estimates across growing and non‐growing seasons.
Band Versus Hopping Transport in Conducting Polymers by Ab Initio Molecular Dynamics: Exploring the Effect of Electric Field, Trapping and Temperature
Authors: Zahabi Najmeh , Zozoulenko Igor 
Published: September 2024

AbstractUnderstanding charge carrier transport in conductive polymers is imperative for the materials' synthesis and optimizing devices. While most theoretical studies utilize time‐independent approaches for describing charge transport, there is an interest in addressing temporal charge carrier dynamics, which provides more information than time‐independent methods. In this study, ab initio molecular dynamics is utilized to gain microscopic insights into charge carrier temporal dynamics in PEDOT. It is demonstrated that transport along the chains is band‐like and across the chains is hopping‐like. Polaron mobility is calculated along the chains to be 4 cm2 V−1 s−1, providing a theoretical upper limit in thiophene‐based conducting polymers. Also, by tracing polaron jumps between chains, the hopping rate, aligning with Marcus' theory is extracted. If an electric field can release polarons from Coulomb traps is investigated, finding that the necessary field strength surpasses typical experimental values. Two regimes of intrachain polaron movement are found: under low/intermediate electric fields, polaron moves velocity‐constantly with coupled charge and lattice distortion, while under high electric fields, charge and lattice distortion decouple. The methodology applies to studying mobilities in p‐ and n‐doped conjugated polymers, including highly doped systems with more polymer chains, and incorporates dielectric screening to address the impact of shallow and deep traps.
Optimizing crop geometry for enhanced growth and yield of soybean [Glycine max L. (Merrill)] maturity groups in western Ethiopia
Authors: Dabessa Alemayehu , Takele Feyera , Debala Chala , Abebe Zerihun 
Published: September 2024

AbstractIncreasing soybean [Glycine max L. (Merrill)] productivity relies heavily on optimizing crop geometry, encompassing both inter‐ and intra‐row spacing. This crucial agronomic practice directly impacts the productivity of soybean crops, making it vital for farmers to consider soybean maturity group when determining optimal crop geometry. Hence, the study was conducted to determine the effect of inter‐ and intra‐row spacing on yield and yield components of soybean varieties and to determine appropriate plant spacing for each maturity group of soybean varieties to achieve a high yield of soybean in the study area. Two soybean varieties from each maturity group, four inter‐row spacing (30, 40, 50, and 60 cm), and two intra‐row spacing (5 and 10 cm) were arranged in factorial combinations in randomized complete block design with three replications. The results showed that days to flowering, days to maturity, plant height, number of seeds/pod, number of pods/plant, and 100‐seed weight were significantly influenced by the main effect of varieties, inter‐ and intra‐row spacing for each maturity group of soybean varieties. The highest grain yield was recorded from narrow inter‐row spacing for early and medium maturity groups regardless of intra‐row spacing while the highest grain yield was obtained from 50‐cm inter‐row spacing for late maturing groups. Thus, it can be concluded that 40‐cm inter‐row spacing is recommended for early and medium soybean varieties, while 50‐cm inter‐row spacing is recommended for late‐maturing soybean varieties for western parts of Oromia and similar agroecologies.
Microwave‐Assisted One‐Pot Synthesis of Tetrahydro‐β‐Carbolines by Fe(II)‐Catalyst: Utilizing Methanol as Methylene Synthon
Authors: Khan Mursalim A. , Reddyrajula Rajkumar , Sakla Akash P. , Sathish Manda , Shankaraiah Nagula 
Published: September 2024

AbstractThe synthesis of tetrahydro‐β‐carbolines (THβCs) framework is a fundamental aspect of medicinal chemistry due to their significant pharmacological applications. Herein, we developed a microwave‐assisted novel approach for the synthesis of THβC scaffolds utilizing ferrous(II) chloride as an earth abundant metal catalyst and methanol used as valuable methylene source. This methodology demonstrates excellent functional group tolerance and provides N2‐substituted THβCs in good to excellent yields. Overall, this study highlights a sustainable and practical strategy for the synthesis of biologically important THβCs, thereby offering promising prospects in the drug discovery and development.
Combining cerebrospinal fluid and PI‐2620 tau‐PET for biomarker‐based stratification of Alzheimer's disease and 4R‐tauopathies
Authors: Dilcher Roxane , Wall Stephan , Groß Mattes , Katzdobler Sabrina , Wagemann Olivia , Palleis Carla , Weidinger Endy , Fietzek Urban , Bernhardt Alexander , Kurz Carolin , Ferschmann Christian , Scheifele Maximilian , Zaganjori Mirlind , Gnörich Johannes , Bürger Katharina , Janowitz Daniel , Rauchmann Boris‐Stephan , Stöcklein Sophia , Bartenstein Peter , Villemagne Victor , Seibyl John , Sabri Osama , Barthel Henryk , Perneczky Robert , Schöberl Florian , Zwergal Andreas , Höglinger Günter U. , Levin Johannes , Franzmeier Nicolai , Brendel Matthias 
Published: September 2024

AbstractINTRODUCTIONRecent advances in biomarker research have improved the diagnosis and monitoring of Alzheimer's disease (AD), but in vivo biomarker‐based workflows to assess 4R‐tauopathy (4RT) patients are currently missing. We suggest a novel biomarker‐based algorithm to characterize AD and 4RTs.METHODSWe cross‐sectionally assessed combinations of cerebrospinal fluid measures (CSF p‐tau181 and t‐tau) and 18F‐PI‐2620 tau‐positron emission tomography (PET) in patients with AD (n = 64), clinically suspected 4RTs (progressive supranuclear palsy or corticobasal syndrome, n = 82) and healthy controls (n = 19).RESULTSElevated CSF p‐tau181 and cortical 18F‐PI‐2620 binding was characteristic for AD while normal CSF p‐tau181 with elevated subcortical 18F‐PI‐2620 binding was characteristic for 4RTs. 18F‐PI‐2620‐assessed posterior cortical hypoperfusion could be used as an additional neuronal injury biomarker in AD.DISCUSSIONThe specific combination of CSF markers and 18F‐PI‐2620 tau‐PET in disease‐specific regions facilitates the biomarker‐guided stratification of AD and 4RTs. This has implications for biomarker‐aided diagnostic workflows and the advancement in clinical trials.Highlights
Novel biomarker‐based algorithm for differentiating AD and 4R‐tauopathies.
A combination of CSF p‐tau181 and 18F‐PI‐2620 discriminates AD versus 4R tauopathies.
Hypoperfusion serves as an additional neuronal injury biomarker in AD.