bluuebunny/crossref_metadata_2025_split huggingface dataset:
Seizure Sources Can Be Imaged from Scalp EEG by Means of Biophysically Constrained Deep Neural Networks
Authors: Sun Rui , Sohrabpour Abbas , Joseph Boney , Worrell Gregory , He Bin 
Published: October 2024

AbstractSeizure localization is important for managing drug‐resistant focal epilepsy. Here, the capability of a novel deep learning‐based source imaging framework (DeepSIF) for imaging seizure activities from electroencephalogram (EEG) recordings in drug‐resistant focal epilepsy patients is investigated. The neural mass model of ictal oscillations is adopted to generate synthetic training data with spatio‐temporal‐spectra features similar to ictal dynamics. The trained DeepSIF model is rigorously validated using computer simulations and in a cohort of 33 drug‐resistant focal epilepsy patients with high‐density (76‐channel) EEG seizure recordings, by comparing DeepSIF estimates with surgical resection outcome and seizure onset zone (SOZ). These findings show that the trained DeepSIF model outperforms other methods in estimating the spatial and temporal information of origins of ictal activities. It achieves a high spatial specificity of 96% and a low spatial dispersion of 3.80 ± 5.74 mm when compared to the resection region. The source imaging results also demonstrate good coverage of SOZ, with an average distance of 10.89 ± 10.14 mm (from the SOZ to the reconstruction). These promising results suggest that DeepSIF has significant potential for advancing noninvasive imaging of the origins of ictal activities in patients with focal epilepsy, aiding management of intractable epilepsy.
High‐Density Atomic Level Defect Engineering of 2D Fe‐Based Metal‐Organic Frameworks Boosts Oxygen and Hydrogen Evolution Reactions
Authors: Zhao Xin , Wang Shixun , Cao Yanhui , Li Yun , Portniagin Arsenii S. , Tang Bing , Liu Qi , Kasák Peter , Zhao Tianshuo , Zheng Xuerong , Deng Yida , Rogach Andrey L. 
Published: October 2024

AbstractElectrocatalysts based on metal‐organic frameworks (MOFs) attracted significant attention for water splitting, while the transition between MOFs and metal oxyhydroxide poses a great challenge in identifying authentic active sites and long‐term stability. Herein, we employ on‐purpose defect engineering to create high‐density atomic level defects on two‐dimensional Fe‐MOFs. The coordination number of Fe changes from 6 to 4.46, and over 28% of unsaturated Fe sites are formed in the optimized Fe‐MOF. In situ characterizations of the most optimized Fe‐MOF0.3 electrocatalyst during the oxygen evolution reaction (OER) process using Fourier transform infrared and Raman spectroscopy have revealed that some Fe unsaturated sites become oxidized with a concomitant dissociation of water molecules, causing generation of the crucial *OH intermediates and Fe oxyhydroxide. Moreover, the presence of Fe oxyhydroxide is compatible with the Volmer and Heyrovsky steps during the hydrogen evolution reaction (HER) process, which lower its energy barrier and accelerate the kinetics. As a result, the optimized Fe‐MOF electrodes delivered remarkable OER (259 mV at 10 mA cm-2) and HER (36 mV at 10 mA cm-2) performance. Our study offers comprehensive understanding of the effect of phase transformation on the electrocatalytic process of MOF‐based materials.
LIF Promotes Sec15b‐Mediated STAT3 Exosome Secretion to Maintain Stem Cell Pluripotency in Mouse Embryonic Development
Authors: Xu Li , Ji Jinjun , Wang Lingbo , Pan Jieli , Xiao Mingzhe , Zhang Chenxi , Gan Yihong , Xie Guanqun , Tan Mingdian , Wang Xinchang , Wen Chengping , Fan Yongsheng , Chin Y. Eugene 
Published: October 2024

AbstractLIF maintains self‐renewal growth in mouse embryonic stem cells (mESC) by activating STAT3, which translocates into nucleus for pluripotent gene induction. However, the ERK signaling pathway activated by LIF at large counteract with pluripotent gene induction during self‐renewal growth. Here, it is reported that in mESC STAT3 undergoes multivesicular endosomes (MVEs) translocation and subsequent secretion, LIF‐activated STAT3 is acetylated on K177/180 and phosphorylated on Y293 residues within the N‐terminal coiled‐coil domain, which is responsible for the interaction between STAT3 and Secl5b, an exocyst complex component 6B (EXOC6B). STAT3 translocation into MVEs resulted in the downregulation of T202/Y204‐ERK1/2 phosphorylation and up‐regulation of S9‐GSK3β phosphorylation for maintaining mESC self‐renewal growth. STAT3 with K177R/K180R or Y293F substitution fails to execute MVEs translocation and Secl5b‐dependent secretion. Mice expressing K177RK180R substitution (STAT3mut/mut) are partially embryonic lethal. In STAT3mut/mut embryos, gene expressions related to hematological system function changed significantly and those living ones carry a series of abnormalities in the hematopoietic system. Furthermore, mice with Secl5b knockout exhibit embryonic lethality. Thus, Secl5b mediated STAT3 MVEs translocation regulates the balance of ERK and GSK3β signaling pathways and maintain mESC self‐renewal growth, which is involved in regulating the stability of hematopoietic system.
Dual‐Action Psoriasis Therapy: Antiproliferative and Immunomodulatory Effects via Self‐Locking Microneedles
Authors: Wang Zi Yi , Zhao Ze Qiang , Sheng Yu Jun , Chen Ke Jun , Chen Bo Zhi , Guo Xin Dong , Cui Yong 
Published: October 2024

AbstractPsoriasis is a chronic, immune‐mediated disorder characterized by immune regulation disorders and abnormal keratinocyte proliferation. Deucravacitinib (Deu), a selective oral Tyrosine Kinase 2 (TYK2) inhibitor, shows promise in treating psoriasis but may cause systemic side effects and fail to address persistent localized thickened lesions. Herein, a self‐locking microneedle (MN) patch with a polyvinyl alcohol (PVA) inner ring loaded with Deu is developed, designed to penetrate the transdermal barriers and dissolve rapidly, downregulating the IL‐23/IL‐17 pathway and serve as the first line of defense against the spread of skin‐originated inflammation. Additionally, Calcipotriol (Cal), a vitamin D derivative, is incorporated into a methacrylated hyaluronic acid (HAMA) backing layer and outer ring that mimics occlusive administration, maintaining localized skin surface retention for prolonged anti‐proliferative therapy. The Deu@Cal MN demonstrates satisfactory adhesiveness due to swelling‐mediated mechanical interlocking via the outer ring, ensuring targeted drug release at lesion site. Besides its effectiveness in alleviating both skin inflammation and proliferation, it inhibits the differentiation of Th17 cells in the spleen, suggesting potential to reduce systemic inflammation. These findings offer a new therapeutic approach for treating psoriasis and other autoimmune and inflammatory conditions.
A Broad‐High Temperature Ceramic Capacitor with Local Polymorphic Heterogeneous Structures
Authors: Zheng Binglong , Lin Ying , Yang Haibo , Jing Hongmei , Nan Hu , Wang Yifei , Yao Fang‐Zhou , Wang Minquan , Yuan Qibin 
Published: October 2024

AbstractCrafting high‐performance dielectrics tailored for pulsed power capacitors, in response to the escalating demands of practical applications, presents a formidable challenge. Herein, this work introduces a novel lineup of lead‐free ceramics with local polymorphic heterogeneous structures, defined by the formula (1‐x)[0.92BaTiO3‐0.08Sr(Mg1/2Ti3/4)O3]‐x(Na0.5Bi0.5)TiO3 (BT‐SMT‐xNBT). This innovative multi‐scale synergistic strategy, spanning from the atomic to grain scale, yields materials with a giant recoverable energy density (Wrec) of 10.1 J·cm−3 and an impressive energy efficiency (η) of 95.0%. The integration of linear end elements SMT can significantly mitigate the polarization hysteresis while concurrently boosting the breakdown strength, thus enhancing overall energy efficiency. Furthermore, the inclusion of NBT with high polarization serves to amplify domain size, thereby reinforcing the electric field‐induced polarization. This addition also stimulates the creation of polymorphic heterostructures, where tetragonal and rhombohedral nanodomains coexist, as validated by aberration‐corrected transmission electron microscopy. Notably, the BT‐SMT‐0.2NBT ceramics have demonstrated outstanding high‐temperature energy storage capabilities, with a Wrec of 7.2 J·cm−3 and an η of 92.2% at 150 °C, along with remarkable broad‐temperature stability (ΔWrec, Δη ≤ 4.0%, ≈20–150 °C). These achievements in this work propel the field toward more practical and durable solutions of energy storage dielectrics.
Surface Corrosion‐Resistant and Multi‐Scenario MoNiP Electrode for Efficient Industrial‐Scale Seawater Splitting
Authors: Hao Weiju , Ma Xunwei , Wang Lincai , Guo Yanhui , Bi Qingyuan , Fan Jinchen , Li Hexing , Li Guisheng 
Published: October 2024

AbstractThe construction of efficient and durable multifunctional electrodes for industrial‐scale hydrogen production presents a main challenge. Herein, molybdenum‐modulated phosphorus‐based catalytic electrodes (Mo‐NiP@NF) are prepared via mild electroless plating. Heteroatoms doping or heterostructures construction can reconfigure the intrinsic electronic structure of the pre‐catalyst and optimizes the key intermediates adsorption. Moreover, the (hypo/meta‐)phosphite anions (POxδ−) and molybdate ions (MoOxδ−) on the electrode surface of Mo‐NiP@NF afford resistance to chloride (Cl−) corrosion. Mo‐NiP@NF exhibits ultralow overpotentials of 278/550 and 282/590 mV at 1 A cm−2 during the hydrogen/oxygen evolution reaction (HER/OER) in alkaline simulated and real seawater, respectively, whereas catalytic overall seawater splitting (OWS) reach 1 A cm−2 at 1.96 and 1.97 Vcell. Remarkably, Mo‐NiP@NF maintains stable operation for 1500 h in OWS. The scalability of Mo‐NiP@NF allowing the assembly of proton exchange membrane (PEM) electrolyzer powered by photovoltaic energy, simulating a portable hydrogen‐oxygen respirator provides an oxygen/hydrogen flows of 160/320 mL min−1. Expanding further, the trace ruthenium‐loaded Mo‐NiP@NF catalyst sodium borohydride (NaBH4) hydrolysis achieving a hydrogen generation rate (HGR) of 11049.2 mL min−1 g−1. This work provides strategic innovations and optimization solutions for the economical and mild construction of multi‐scenario durable green energy conversion materials at industrial‐scale application.
Cobalt‐Catalyzed Synthesis of Functionalized Nordazepams and Benzimidazoquinazolines and Their Photophysical Properties
Authors: Suresh Sundararajan , Keerthana Pari , Khan Fazlurrahman Nawaz 
Published: October 2024

AbstractAn efficient and environmentally friendly one‐pot sequential synthesis of functionalized nordazepam and a benzimidazoquinazoline analogue is reported, utilizing cobalt as the metal catalyst. The reaction proceeds via either the α‐alkenylation or dehydrogenative sp3 C−H functionalization pathway. This transformation includes mild reaction conditions, operational simplicity, and good functional group tolerance. Additionally, this method is suitable for the gram‐scale synthesis of functionalized nordazepam and benzimidazoquinazoline compounds. Furthermore, the synthetic utility, photophysical properties and real‐life application of the synthesized derivatives were explored.
Base‐Catalyzed [4+2] Annulation of Ynones and Acetates for the Synthesis of 2‐Pyrones
Authors: Chen Ting , Ye Moudan , Huang Ting , Chen Zhichao , Shen Jinhai 
Published: October 2024

AbstractAn efficient, practical, and scalable Cs2CO3‐catalyzed [4+2] annulation reaction between ynones and acetates is presented, wherein ynones serve as the four‐atom annulation partners. This methodology facilitates the synthesis of substituted 2‐pyrones with yields ranging from good to excellent. The ready availability of the starting materials, coupled with the simplicity of the annulation protocol, renders this approach highly amenable to the preparation of a diverse range of 2‐pyrones. Furthermore, the feasibility of the reaction on a gram scale and its application in the synthesis of a potent and selective cyclooxygenase‐2 inhibitor underscore the practical significance and utility of this method.
Viral infection as an inciting event for development of chronic rhinosinusitis: A population‐based study
Authors: Khan Najm S. , Majeethia Heli , Provasek Vincent , Khan Faizaan , Mehdi Zain , Dhanda Aatin K. , Vrabec Jeffrey T. , McCoul Edward D. , Makary Chadi A. , Takashima Masayoshi , Ahmed Omar G. 
Published: October 2024

Key points
Viral infections lead to a greater than twofold increased risk of developing chronic rhinosinusitis within 1 year.
Viral infections lead to a greater than twofold increased risk of developing chronic rhinosinusitis within 1 year.
Recurrent viral infections pose a greater risk of chronic rhinosinusitis than single episodes.
Binary Iron‐Manganese Cocatalyst for Simultaneous Activation of C−C and C−O Bonds to Maximally Utilize Lignin for Syngas Generation over InGaN
Authors: Yu Tianqi , Zhao Ying , Li Jingling , Li Yixin , Qiu Liang , Pan Hu , Salman Nasir Muhammad , Song Jun , Huang Zhen , Zhou Baowen 
Published: October 2024

AbstractSolar‐powered lignin reforming offers a carbon‐neutral route for syngas production. This study explores a dual non‐precious iron‐manganese cocatalyst to simultaneously activate both C−C and C−O bonds for maximizing the utilization of various substituents of native lignin to yield syngas. The cocatalyst, integrated with InGaN nanowires on a Si wafer, affords a measurable syngas evolution rate of 42.4 mol gcat−1 h−1 from native lignin in distilled water with a high selectivity of 93 % and tunable H2/CO ratios under concentrated light, leading to a considerable light‐to‐fuel efficiency of 11.8 %. The high FeMn atom efficiency arising from the 1‐dimensional nanostructure of InGaN enables the achievement of a high turnover frequency (TOF) of 220896 mol syngas per mol FeMn per hour. Combined experimental and theoretical investigations reveal that the synergetic iron‐manganese cocatalyst supported by InGaN nanowires enables simultaneous activation of C−C and C−O bonds with comparable minimized dissociation energies, thus promising to maximally utilize different substituents of −OCH3, and −CH2CH2CH3 in lignin for syngas production. Moreover, the dual Fe‐Mn cocatalyst demonstrates a most energetically favorable route for the consecutive release of hydrogen from •CH3 and •OH by the oxidative holes while inhibiting the reversion of hydrogen and hydroxyl into water.
Near‐Infrared Light‐Driven CO2 Reduction on Cup‐Stacked Carbon Nanotubes
Authors: Song Suchan , Xin Cuncun , Liu Wei , Shang Wenzhe , Liu Tianna , Peng Wentao , Hou Jungang , Shi Yantao 
Published: October 2024

AbstractCarbon nanotubes feature one‐dimensional nature of collective excitations, wherein strong confinement of surface plasmons severely hinders the liberation of hot electrons (HEs), posing grand challenges for their utilization in photochemistry. In this study, we prototypically achieved directed HEs flow and extraction in hybrid plasmonic CNN based on cup‐stacked carbon nanotubes (CSCNTs), taking advantage of their privileged edge‐plane sites. The localized pz electronic states and accessible intersubband plasmon excitations in the near‐infrared (NIR) regime stands in striking contrast to the conventional concentric carbon nanotubes, as evidenced by combined photo‐induced force microscopy (PiFM) and transient photocurrent response. The hybrid comprising intimately integrated CSCNTs‐C3N4 effectively sustains interfacial electronic states and underlies the energy extraction out of plasmonic components. The CNN demonstrates almost near‐unity NIR light‐driven CO2 reduction to CO with a rate of 1.35 μmol g−1 h−1. This work sheds light on the exploitation of metal‐free carbon‐based plasmonic nanostructures for photocatalytic applications.
Masked Divalent Reactivity of Heterobimetallic Lanthanide Isocarbonyl Complexes
Authors: Mondal Arpan , Tang Jinkui , Layfield Richard A. 
Published: October 2024

AbstractA new rare‐earth reduction system is described in which trivalent yttrium and dysprosium react as though present in their unstable divalent oxidation state. This masked divalent reactivity is achieved using the isocarbonyl‐bridged dimers [(
M)(μ‐Fp)]2 (M=Y, 1Y; M=Dy, 1Dy; Cpttt=1,2,4‐C5tBu3H2; Fp=CpFe(CO)2), where the reducing electrons originate from the bridging [Fp]− ligands. The reactivity of 1Y and 1Dy is showcased by reducing the N‐heterocycles 2,2′‐bipyridyl (bipy), phenazine (phnz) and hexaazatrinaphthylene (HAN) to give corresponding mono‐, di‐ and tri‐metallic rare‐earth complexes, respectively, with the heterocyclic ligands present in their singly, doubly and triply reduced forms, respectively. The dynamic magnetic properties of the dysprosium compounds are described. Compound 1Dy is a single‐molecule magnet (SMM) with an appreciable energy barrier of 449(17) cm−1, whereas [(
Dy)2(μ‐phnz)] (3Dy) is not an SMM because of a strong, competing equatorial crystal field. Surprisingly, [(
Dy)3(HAN)] (4Dy) is also not an SMM, the origins of which are traced to the impact of the tert‐butyl substituents on the dysprosium centre and its interaction with the radical [HAN]3− ligand.
Nuclear Quantum Effects Have a Significant Impact on UV/Vis Absorption Spectra of Chromophores in Water
Authors: Tsuru Shota , Sharma Bikramjit , Hättig Christof , Marx Dominik 
Published: October 2024

AbstractDespite the broadly acknowledged importance of solvation effects on measured UV/Vis spectra in the context of solvatochromism or chemical reactions in solution, it is still an open challenge to calculate UV/Vis spectra with predictive accuracy. This is particularly true when it comes to the impact of nuclear quantum effects on these experimental observables. In the present work, we calculate the UV/Vis absorption spectrum of indole in aqueous solution with a combination of a correlated wavefunction method for computing electronic excitation energies and enhanced path integral simulations for rigorous sampling of nuclear configurations including the quantum effects in solution. After validating our approach based on gas‐phase benchmarking, we demonstrate that the lineshape of the spectrum measured in aqueous solution is quantitatively recovered, without the application of any shifting, scaling, or broadening, only after including nuclear quantum effects in addition to thermal fluctuations and solvation at ambient conditions. Our findings demonstrate that nuclear quantum effects are “visible” in UV/Vis spectra of chromophores measured in solution even at room temperature and, therefore, that they must be considered computationally to achieve predictive accuracy.
Atomic Infusion Induced Reconstruction Enhances Multifunctional Thermally Conductive Films for Robust Low‐Frequency Electromagnetic Absorption
Authors: Rao Longjun , Huang Mengqiu , Wang Xinglong , Qian Yuetong , Yan Zhikai , Wang Lei , Li Qingqing , Che Renchao 
Published: October 2024

AbstractDeterministic fabrication of highly thermally conductive composite film with satisfying low‐frequency electromagnetic (EM) absorption performance exhibits great potential in advancing the application of 5G smart electric devices but persists challenge. Herein, a multifunctional flexible film combined with hetero‐structured Fe6W6C‐FeWO4@C (FWC−O@C) as the absorber and aramid nanofibers (ANFs) as the matrix was prepared. Driven by an atomic gradient infusion reduction strategy, the carbon atoms of absorbers can be precisely relocated from carbon shell to core oxometallate lattice, triggering in situ carbothermic reduction for customization of unique oxometallate‐carbide heterojunctions and surface geometrical structure. Such an atoms reconstruction process effectively regulates interface electronic structure and magnetic configuration, resulting in enhanced polarization loss from abundant heterointerfaces and crystal defects and magnetic loss from hierarchical structure endowed magnetic coupling interaction, which jointly contributes to the efficient low‐frequency EM absorption performance. Eventually, optimized FWC−O@C microplate exhibits a broad absorption bandwidth surpassed the entire C band, and the assembled FWC−O@C/ANFs composite film also performs a high thermal conductivity over 2500 % higher than that of the pure ANFs. These findings provide a new insight into the atomic reconstruction affected EM properties and a generalized methodological guidance for preparing multifunctional thermally conductive composite films.
Chemoselective Ring‐Opening Polymerization of α‐Methylene‐δ‐valerolactone Catalyzed by a Simple Organoaluminum Complex to Prepare Closed‐Loop Recyclable Functional Polyester
Authors: Yan Qin , Ma Jiashu , Pei Weijie , Zhang Yaxin , Zhong Ronglin , Liu Shaofeng , Shen Yong , Li Zhibo 
Published: October 2024

Abstractα‐Methylene‐δ‐valerolactone (MVL) as a bio‐renewable bifunctional monomer has shown great promise to prepare closed‐loop recyclable polyester with pendent functionalizable double bond. However, the chemoselective ring‐opening polymerization (ROP) of MVL still faces challenges including low polymerization temperature, expensive catalyst as well as high catalyst loading. In this contribution, we present the chemoselective and controlled ROP of MVL using a simple organoaluminum complex [MeAl(BHT)2] (BHT=2,6‐di‐tert‐butyl‐4‐methylphenoxy), which can be easily prepared from commercially available trimethylaluminum and 2,6‐di‐tert‐butyl‐4‐methylphenol without purification. MeAl(BHT)2 exhibits much higher catalytic activity (TOF=668 h−1) than that of MeAl[Salen] (TOF=89 h−1), a commonly used organoaluminum catalyst. The high chemoselectivity and activity of MeAl(BHT)2 is proposed to originate from the cooperative activation of propagating chain‐ends and monomers via the “coordination‐insertion” mechanism. Remarkably, high‐molecular‐weight P(MVL)ROP can be prepared in bulk using MeAl(BHT)2, which is not accessible by the previous catalysts. This study may advance the development of closed‐loop recyclable polymers considering the easy preparation, low cost and good catalytic performance of MeAl(BHT)2.
Effect of problem‐solving training for mothers of children with special needs: A randomised controlled study
Authors: Gökalp Kübra , Karakurt Nurgül 
Published: October 2024

AbstractThis study investigates the effect of problem‐solving training on the interpersonal problem‐solving skills of mothers of children with special needs. The parallel randomised controlled trial was conducted between August 2021 and March 2022. A priori power analysis was conducted, and 98 mothers who met the inclusion criteria were included in the study. The analysis indicated that a sample size of 39 participants per group was required. Data were collected using a personal information form and the Interpersonal Problem Solving Inventory. The mothers were divided into control and experimental groups. The participants in the experimental group were given a problem‐solving training program, while the control group was not exposed to any intervention. There was no significant difference in the pre‐training test scores for any of the dimensions (p > 0.05). However, the post‐training test scores in the experimental group were significantly higher than post‐training test scores in the control group (p < 0.05). There were significant differences between the pre‐training and post‐training test scores in the experimental group (p < 0.05). Interpersonal problem‐solving skills can be improved by providing problem‐solving training to the mothers of children with special needs. Based on the findings of this study, it is recommended that psychiatric nurses provide training to protect and improve the wellbeing of children with special needs and their families.