bluuebunny/crossref_metadata_2025_split huggingface dataset:
A “Flexible” Solvent Molecule Enabling High‐Performance Lithium Metal Batteries
Authors: Chen Lu , Zhang Qing , Song Chunlei , Jiang Yanxin , Sheng Xitong , Pan Hongji , Yang Liu , Wu Shumin , Zeng Lin , Sun Delong , Wang Chong , Wang Tianshuai , Li Yiju , Zhao Tianshou 
Published: January 2025

AbstractElectrolyte chemistries are crucial for achieving high cycling performance and high energy density in lithium metal batteries. The localized high‐concentration electrolytes (LHCEs) exhibit good performance in lithium metal batteries. However, understanding how the intermolecular interactions between solvents and diluents in the electrolyte regulate the solvation structure and interfacial layer structure remains limited. Here, we reported a new LHCE in which strong hydrogen bonding between diluents and solvents alters the conformation and polarity of “flexible” solvent molecules, thereby effectively regulating the solvation structure of Li+ ion and promoting the formation of robust electrode interfaces. The endpoint H of the “flexible” chain O‐CH‐CH3 of the 2,5‐dimethyltetrahydrofuran (2,5‐THF) solvent and the F of the benzotrifluoride (BTF) diluent can form strong hydrogen bonds, which expand the maximum bond angle of the 2,5‐THF molecule from 119° to 123°. The expanded bond angle increases the steric hindrance of the 2,5‐THF molecule and decreases its polarity. This leads to an increase in the anion content within the solvation structure, which in turn enhances the performance of both the lithium metal anode and the sulfurized polyacrylonitrile (SPAN) cathode. As a result, the lithium metal anode shows a Coulombic efficiency (CE) of as high as 99.4 %. The assembled Li||SPAN battery based on our developed LHCE exhibits impressive stability with an average CE of 99.8 % over 700 cycles. Moreover, the Li||SPAN pouch cell can be stably cycled with a high energy density of 301.4 Wh kg−1. This molecular‐level understanding of the correlation between molecular interactions and solvation structures provides new insights into the design of advanced LHCEs for high‐performance lithium metal batteries.
A Strategy of Enhancing Polarization to Achieve Excellent Energy Storage Performance in Simple Bi0.5K0.5TiO3‐Based Relaxors
Authors: Cao Weiwei , Sun Tianyi , Luo Huajie , Li Tianyu , Wang Kaina , Li Kai , Wang Xingcheng , Lou Chenjie , Wang Na , Xie Bing , Zhang Ji , Tucker Matthew G , Tang Mingxue , Liu Hui , Chen Jun 
Published: January 2025

AbstractDielectric energy storage capacitors are indispensable components in advanced electronic and electrical systems. Excellent performance requires the dielectric materials possessing low residual polarization (Pr), high breakdown strength (Eb), and large maximum polarization (Pm). The first two parameters can be typically achieved through chemical regulation, while the Pmax is closely related to the matrix. Theoretical calculations demonstrate that a strong coupling of A‐O bonds and a large lattice can enhance polarization, thus identifying the prototype Bi0.5K0.5TiO3 as a favorable matrix. Here, ultrahigh energy density of 16.5 J/cm3 and high efficiency of 88.2 % are achieved in 0.76Bi0.5K0.5TiO3‐0.24Ca0.5Sr0.5HfO3 binary system. This system exhibits the highest comprehensive performance among all reported Bi0.5K0.5TiO3‐based ceramics. The large perovskite framework facilitated by the large ionic radius of K+ enhances the local polarity of Bi−O and Ca−O, resulting in a large Pm of 57.4 μC/cm2 under an ultrahigh Eb of 82 kV/mm. The highly disordered local polar clusters at the nanoscale lead to negligible Pr and high η. This work not only provides a unique design concept to enhance the comprehensive energy storage performance from the perspective of local structure, but also offers insight into the origin of high performance.
Fictitious input–output matrices‐based frequency limited model reduction of continuous‐time systems
Authors: Kanchan Kumari , Kumar Deepak , Sonker Bheem 
Published: January 2025

AbstractThe frequency‐limited model order reduction (FLMR) problem considers the model approximation within a desired frequency interval. It is observed that some of the existing FLMR methods tend to provide large approximation errors due to uneven distribution of intermediate eigenvalues. Hence, a new FLMR method based on novel frequency‐limited Gramians is proposed in this article to obtain a lower approximation error. The proposed technique gives a stable reduced‐order model due to the unique configuration of the Gramian matrices, which is obtained using intermediate fictitious input and output matrices. A comparative analysis using four numerical examples is provided, and it is found that the presented method produces better results than the prevailing methods.
m6A‐mRNA Reader YTHDF2 Identified as a Potential Risk Gene in Autism With Disproportionate Megalencephaly
Authors: Nishizaki Sierra S. , Haghani Nicholas K. , La Gabriana N. , Mariano Natasha Ann F. , Uribe‐Salazar José M. , Kaya Gulhan , Regester Melissa , Andrews Derek Sayre , Nordahl Christine Wu , Amaral David G. , Dennis Megan Y. 
Published: January 2025

ABSTRACTAmong autistic individuals, a subphenotype of disproportionate megalencephaly (ASD‐DM) seen at three years of age is associated with co‐occurring intellectual disability and poorer prognoses later in life. However, many of the genes contributing to ASD‐DM have yet to be delineated. In this study, we identified additional ASD‐DM candidate genes with the aim to better define the genetic etiology of this subphenotype of autism. We expanded the previously studied sample size of ASD‐DM individuals ten fold by including probands from the Autism Phenome Project and Simons Simplex Collection, totaling 766 autistic individuals meeting the criteria for megalencephaly or macrocephaly and revealing 154 candidate ASD‐DM genes harboring de novo protein‐impacting variants. Our findings include 14 high confidence autism genes and seven genes previously associated with DM. Five impacted genes have previously been associated with both autism and DM, including CHD8 and PTEN. By performing functional network analysis, we expanded to additional candidate genes, including one previously implicated in ASD‐DM (PIK3CA) as well as 184 additional genes connected with ASD or DM alone. Using zebrafish, we modeled a de novo tandem duplication impacting YTHDF2, encoding an N6‐methyladenosine (m6A)‐mRNA reader, in an ASD‐DM proband. Testing zebrafish CRISPR knockdown led to reduced head/brain size, while overexpressing YTHDF2 resulted in increased head/brain size matching that of the proband. Single‐cell transcriptomes of YTHDF2 gain‐of‐function larvae point to reduced expression of Fragile‐X‐syndrome‐associated FMRP‐target genes globally and in the developing brain, providing insight into the mechanism underlying autistic phenotypes. We additionally discovered a variant impacting a different gene encoding an m6A reader, YTHDC1, in our ASD‐DM cohort. Though we highlight only two cases to date, our study provides support for the m6A‐RNA modification pathway as potentially contributing to this severe form of autism.
Expression of Lymphoid Enhancer‐Binding Factor 1 in Cancer‐Associated Fibroblasts Mediates Tumor Growth and Transdifferentiation Toward Squamous Cell Carcinoma in Human Breast Cancer
Authors: Okazaki Hiroya , Mezawa Yoshihiro , Shi Yang , Sakimoto Mizuki , Wang Zixu , Ishizuka Akane , Yamashita Kazunari , Satoh Asahi , Koyama Yu , Fukumura Yuki , Kajino Kazunori , Takano Atsushi , Yokose Tomoyuki , Yamashita Toshinari , Miyagi Yohei , Daigo Yataro , Katakura Akira , Yasukawa Takehiro , Orimo Akira 
Published: January 2025

ABSTRACTBackgroundCancer‐associated fibroblasts (CAFs) play a significant role in human breast cancer as a major stromal component. While their role in promoting cancer proliferation and malignancy through interaction with cancer cells in the tumor microenvironment is known, the exact mechanisms behind this interaction are not fully understood.ResultsOur study reveals that lymphoid enhancer‐binding factor 1 (LEF1), a central transcription factor for Wnt/β‐catenin signaling, is expressed in experimentally generated tumor‐promoting CAFs (exp‐CAFs) as well as in CAFs from breast cancer patients, particularly those with a poor prognosis. Notably, LEF1‐expressing CAFs are prevalent in the stroma of squamous cell carcinoma (SCC), an aggressive metaplastic breast cancer subtype with a limited understanding of its development. To investigate the functional importance of LEF1 expression in CAFs, we depleted LEF1 in the exp‐CAFs and subcutaneously implanted them along with breast ductal carcinoma MCF10DCIS.com cells into immunodeficient mice. Depleting LEF1 resulted in reduced xenograft tumor growth, accompanied by decreased cancer‐cell proliferation and angiogenesis in the tumors. Additionally, we observed a significant reduction in the expression of SCC markers p40 (ΔNp63) and cytokeratin 5/6 in the xenograft tumors when LEF1 was depleted in the exp‐CAFs. Furthermore, we identified 13 genes, none of which are established downstream genes of the Wnt/β‐catenin pathway, that exhibit expression patterns similar to LFE1 in our cultured fibroblasts.ConclusionIn summary, our findings suggest that LEF1 expression contributes to the tumor‐promoting abilities of breast CAFs and that LEF1‐expressing CAFs may drive transdifferentiation toward SCC, possibly through a pathway independent of the canonical Wnt/β‐catenin signaling.
Investigation of Fe(II) Complexes with 1,10‐Phenanthroline and 2,2′;6′,2“‐Terpyridine for Aqueous Flow Battery Applications
Authors: Hannonen Jenna , Tuna Ali , Gonzalez Gabriel , Martínez González Eduardo , Peljo Pekka 
Published: January 2025

AbstractIron(II) complexes with 1,10‐phenanthroline (phen) and 2,2′;6′,2“‐terpyridine (terpy) ligands bearing different functional groups (methyl, 4‐pyridyl, chloro, carboxylic acid) were evaluated for aqueous flow battery applications, detecting oxidation processes followed by coupled chemical reactions. Redox potentials of these compounds were sufficiently high for suitable positive electrolytes (0.88–1.29 V vs. SHE). Randles‐Ševčík equation and finite element modelling with COMSOL Multiphysics were utilized in evaluating the diffusion coefficient and the apparent rates of the electron transfer and coupled chemical reactions for the compounds studied by cyclic voltammetry. The systems experience weak adsorption of reactants at glassy carbon, leading to difficulties in determining the latter kinetic parameters. Flow battery tests indicate sufficient flow battery performance with dimethyl functionalized phenanthroline complex [Fe(II)(DMe‐phen)3]2+ with 0.06 % per cycle (2.78 % per day) capacity decay. However, [Fe(II)(DMe‐phen)3]2+, as well as [Fe(II)(phen)3]2+, experience the discharge at two different thermodynamic conditions, suggesting dimer discharge as the source of the lower voltage plateau. The energy efficiency of [Fe(II)(DMe‐phen)3]2+ battery was improved by cycling at higher cut‐off voltage for 10 cycles, after which the lost capacity was recovered with lower cut‐off voltage in one cycle. [Fe(II)(terpy)2]2+ had too many side reactions at lower potentials to be suitable for flow battery applications.
Single‐Atom Metal Species as A Promoter to Enhance Heterogeneous Catalysis
Authors: Li Juan , Cao Liru , Lin Jian , Lin Sen 
Published: January 2025

AbstractSingle‐atom catalysts (SACs) have emerged as a focal point of research in the field of heterogeneous catalysis. This paper reviews the progress in the studies of single atoms as promoters in various catalytic reactions, elucidating their distinctive role in comparison to the dominant active sites. We provide a discussion on the application of single‐atom promoters (SAP) within host‐guest systems in various catalysts, including metal oxide supported catalysts, molybdenum carbide‐based catalysts, bimetallic catalysts, and others. The behavior of SAP is diverse. They often promote the formation of oxygen vacancies for oxide support, leading to local site reconstruction that creates specific reaction route. Moreover, they can also precisely modify the electronic structure of hetero‐metal atomic or nanoparticle sites, then regulating the adsorption of reactants or intermediates and catalytic performance. Finally, the potential for the development of SAP is outlined, proposing novel approach for the design of SACs with enhanced activity and stability.
Substitution and Electron Transfer in Diborane‐Quinone Systems
Authors: Vogler Daniel , Krauß Julian , Kaczun Tobias , Dulatahu Gent , Kaifer Elisabeth , Himmel Hans‐Jörg 
Published: January 2025

AbstractThe dual reactivity of boron compounds as Lewis acids and electron donors has spurred the development of a metallomimetic chemistry of boron compounds as a topical research theme. In this work we elaborate on the reaction of specially‐designed diborane(4) compounds with quinones, as a prime example showing their dual (metallomimetic) chemistry as a Lewis acid and electron donor. The quinone is first coordinated to the diborane and then reduced by intramolecular electron transfer from the B−B bond to a quinone π* orbital. A variety of substitution reactions of the catecholate‐diborane reaction product was carried out, leading to new catecholato‐diborane compounds and thereby shedding light on the likely mechanisms. Notably, the results disclose the importance of a facile coordination‐mode change of the catecholato ligand (end‐on to bridging) for substitution reactions and for the diborane‐quinone reactions. The results contribute to the further advancement in the use of diboranes with dual reactivity for substrate binding and reduction.
Entrepreneurship and intrapreneurship: Mapping global behavior
Authors: Crecente‐Romero Fernando Javier , Sarabia‐Alegría María , Olmo‐García Francisco del , Pradillo‐Fernández Cesar 
Published: January 2025

AbstractResearch on intrapreneurship ‐venturing entrepreneurial initiatives by employees within organizations‐is beginning to receive the prominence it deserves within the academy. In this paper, we analyze this approach following a regional‐global context and comparing the different perceptions of the entrepreneurial process between countries. It also analyses the relationship between the entrepreneurial activity rate (TEA) of a given country and its level of intra‐entrepreneurship (intra‐entrepreneurship (EEA)), as key factors for defining this concept. Our findings provide evidence of how countries such as Austria, Italy, Slovenia, Spain and Australia have used intrapreneurship as a growth strategy in the context of the COVID‐19 pandemic.
Real‐Time In Situ Raman Monitoring of Photomechanochemical Reactions
Authors: Cvrtila Ivica , Štrukil Vjekoslav , Alešković Marija , Kulcsár Ivan , Mrla Tomislav , Colacino Evelina , Halasz Ivan 
Published: January 2025

AbstractIn its ongoing development, mechanochemistry is becoming equipped with additional energy inputs such as light. In this work we demonstrate a proof‐of‐principle setup for real‐time in situ Raman monitoring of photomechanochemical reactions. Using photoisomerization of azobenzenes, and photolysis of adamantane diazirine as model reactions, we show that multiple photoisomerization cycles can be performed and monitored in a ball mill, and highlight reaction selectivity that can be achieved by photomechanochemistry.
Hairy vetch (Vicia villosa Roth) germplasm contains a cryptic second species (Vicia varia Host)
Authors: Tilhou Neal , Kucek Lisa Kissing , Moore Virginia , Hanson Solveig , Reberg‐Horton Chris , Ryan Matthew R. , Ehlke Nancy Jo , Bartow Amy , Carr Brandon , Douglas Joel , Englert John , Raasch John , Woodard Alyssa J. , Crawford Jamie , Crawford Ryan , Ali Shahjahan , Bhamidimarri Suresh , Mirsky Steven , Monteros Maria J. , Moore Gerry , Gamble Audrey V. , Rajan Nithya , Narayanan Sruthi , Haramoto Erin R. , Basinger Nicholas T. , Sykes Virginia R. , McWhirt Amanda , Reiter Mark S. , Riday Heathcliffe 
Published: January 2025

AbstractHairy vetch is a promising legume cover crop (Vicia villosa Roth) for the northern United States. Based on evidence from molecular markers, multi‐site evaluations, and morphological observations, a distinct second species exists within US hairy vetch germplasm, referred to hereafter as smooth vetch (Vicia varia Host). Morphologically, hairy vetch is highly variable, but this study found statistically significant differences between smooth and hairy vetch in visual pubescence scores, plant maturity, and calyx lobe lengths. We used a panel of single sequence repeat (SSR) markers to assign cultivars and breeding materials to the two species and found that many commercial cultivars are smooth vetch. Interestingly, the SSR panel indicated that woollypod vetch (Vicia dasycarpa Ten.) is a subpopulation of hairy vetch. Based on an elastic net model trained with multi‐site trial results from >35 site‐years, smooth vetch is not winter hardy in the northern United States but has superior performance relative to hairy vetch in the south‐central and Pacific Northwest United States. Specifically, smooth vetch has greater performance in environments with mild winters, cool spring temperatures, or low clay soils. Because of these differences in adaptation, differentiating these species will greatly improve agronomic outcomes and accelerate ongoing cover crop breeding progress.
A Hybrid Heuristic‐Aided Algorithm of Serial Cascaded Autoencoder and ALSTM for Channel Estimation in Millimeter‐Wave Massive MIMO Communication System
Authors: Suneetha Nallamothu , Satyanarayana Penke 
Published: January 2025

ABSTRACTChannel estimation is a general issue for downlink transmission in millimeter‐wave (mmWave) multiple‐input multiple‐output (MIMO) devices. To achieve the merits of mmWave massive MIMO devices, the channel state information (CSI) is very necessary. However, it is hard to attain the downlink CSI in the corresponding device, which results in training overhead. To overcome the particular issue, this paper proposes a new method as a serial cascaded autoencoder with attention‐based long short‐term memory (SCA‐ALSTM), where the attributes are tuned using the iterative of reptile search and dingo optimizer (IRSDO) to derive the multiobjective function with multiple constraints such as root mean square error (RMSE), mean square error (MSE), normalized mean square error (NMSE), bit error rate (BER), and spectral efficiency (SE). The proposed SCA‐ALSTM model leverages the power of attention mechanisms to focus on important information within the input data, allowing for more accurate channel estimation. By incorporating the IRSDO hybrid model, the SCA‐ALSTM system can efficiently fine‐tune the parameters to improve channel estimation accuracy while minimizing training overhead caused by evaluating a high amount of channel factors. Finally, the experimentation is accomplished with conventional algorithms and proved that the developed model helps to improve the channel estimation accuracy while reducing training overhead. By leveraging the developed model, channel estimation may be enhanced regarding accuracy and efficiency with reduced computational complexity. Moreover, it can better handle the complexities of non–line‐of‐sight (NLOS) channels, leading to improved estimation accuracy. Thus, the system outperforms the channel estimation to raise the efficiency.
Physiological Responses and Metabolic Characteristics of Proso Millet Under Drought Stress During Germination Period
Authors: Wang Mengyao , Hu Yulu , Mao Jiao , Xu Yuanmeng , Wang Shu , Wang Lun , Qiao Zhijun , Liu Sichen , Cao Xiaoning 
Published: January 2025

ABSTRACTTo clarify the impact of drought stress during germination on proso millet's physiological responses and metabolic features, this study used physiological and targeted‐like metabolomics methods. With Longmi No. 7 (drought‐tolerant, L1) and Longmi No. 15 (drought‐sensitive, L2) as materials, we studied the enzyme activities, osmotic adjustment substances, and differential metabolites of proso millet. Results showed that under drought stress, L1's enzyme activities and osmotic adjustment substance contents were significantly higher than L2's, especially at 48‐h treatment. 1085 known metabolites were identified from 24 samples, under normal germination, L1's main differential metabolites (amino acids, flavonoids, phytohormone, lipids, sugars, etc.) were enriched in amino acid, lipid, sugar, and energy metabolism pathways. L2's (amino acids, sugars, flavonoids, etc.) were in sugar, lipid metabolism, secondary metabolite biosynthesis, and amino acid metabolism pathways. At 24‐h treatment, the metabolic pathways of L1 were mainly concentrated in carbohydrate and nucleotide metabolism, while those of L2 were mainly in carbohydrate and lipid metabolism. At 48 h, the metabolic pathways of L1 were mainly in carbohydrate, energy and lipid metabolism, and those of L2 were mainly in carbohydrate, lipid metabolism, biosynthesis of other secondary metabolites and amino acid metabolism. Under stress, L1's main differential metabolites were organic acids, sugars, flavonoids, amino acids, etc.; L2's were phytohormones, organic acids, sugars, flavonoids, amino acids. This study provides a new direction for the development of proso millet sprouts. Meanwhile, it offers new ideas and theoretical bases for the development of functional foods and the regulation of nutritional components of proso millet.
Prebiotic Activity of Acorus gramineus Rhizome Extract and Its Effects on Obesity and Gut Inflammation
Authors: Lee Hye‐Bin , Oh Mi‐Jin , Son Hee‐Kyoung , Park Miri , Choi Sang Yoon , Hur Jinyoung , Park Ho‐Young 
Published: January 2025

ABSTRACTAcorus gramineus (sweet flag), a medicinal plant, especially its rhizome, shows strong antioxidant and anti‐inflammatory effects; however, its efficacy in treating intestinal inflammation and obesity is still unexplored. In this study, we investigated the prebiotic activity of sweet flag rhizome extract (SRE) and its preventive effects against high‐fat diet (HFD)‐induced obesity and colonic inflammation. The prebiotic activity was assessed based on the prebiotic activity scores of four probiotic strains. SRE was administered to mice fed an HFD for 8 weeks, and obesity‐ and inflammation‐related biomarkers were analyzed. The results showed that SRE was utilized as effectively as inulin by the probiotic strains, suggesting that SRE has the potential to influence the gut. Additionally, the administration of 100 mg/kg SRE mitigated colonic inflammation by restraining gut permeability, endotoxemia, and colonic shortening, and improved gut barrier function by restoring zonula occludens‐1 protein expression. SRE ameliorated obesity‐related symptoms by suppressing weight gain, glucose intolerance, serum lipid biomarkers, and liver damage. Altogether, this study highlights the protective effects of SRE against obesity and intestinal inflammation and provides data for the further application of SRE as a prebiotic.