bluuebunny/crossref_metadata_2025_split huggingface dataset:
Full‐Scale Regulation Enabled High‐Performance Sodium O3‐Type Layered Cathodes
Authors: Hong Ningyun , Zhang Shuncheng , Li Jianwei , Wang Haoji , Huang Jiangnan , Hu Xinyu , Zhang Baichao , Hua Fang , Zeng Jingyao , Jian Weishun , Sun Chao , Bugday Nesrin , Deng Wentao , Zou Guoqiang , Hou Hongshuai , Hu Zhanggui , Long Zhen , Wu Yicheng , Ji Xiaobo 
Published: February 2025

AbstractO3‐type cathodes hold considerable promise in achieving rapid commercialization due to high energy density. However, severe structural/interfacial deterioration, along with kinetic hindrance, typically resulting in rapid capacity fading and serious safety risk at elevated cut‐off voltages. Herein, inspired from solubility limitation of hetero‐elements, synchronous surface‐to‐bulk multifunctionally full‐scale modified O3‐NaNi1/3Fe1/3Mn1/3O2 is proposed to maintain its state of health (SOH). The perovskite‐type CaZrO3 protective layer in situ formed on the surface of primary particles, helps to construct a stable cathode‐electrolyte‐interphase architecture, mitigate the unexpected interfacial side reactions and prevent transition metal dissolution. Simultaneously, Ca2+ pillars, robust Zr−O bonds and the highly electronegative F− are adequately anchored into ternary lattice sites of Na‐TM−O, respectively, thereby reinforcing the TMO6 octahedra and facilitating Na+ diffusion. Notably, the intrinsic lattice strain is effectively alleviated due to an additional intergrowth phase transition of P3‐OP2. More impressively, migration of Jahn‐Teller distorted Fe4+O6 is further restrained, originating from the strengthened coordination environment under deep‐desodiation state. Consequently, as‐designed NFM‐CZF achieves an impressive rate capability and a remarkable capacity retention of 83.8 % after 300 cycles at 2 C. This elaborate work shed valuable insight into mechanism of regulating internal full Wyckoff‐site and external surface structure for sodium‐ion batteries with enhanced durability.
Finding Introgression From ‘Native’ Stocks When Looking for Population Structure in Brown Trout (Salmo trutta)
Authors: Sanz Nuria , González Gustavo 
Published: February 2025

ABSTRACTIn brown trout, population structure is the result of a combination of factors such as the geographic distance, the altitude, the hierarchy of the hydrography and the presence of physical barriers totally or partially impassable for trout. Structure can even occur within populations, because of the lack of random mating (panmixia) between individuals, which is often a consequence of stocking with exogenous fish. In this study, we aimed to evaluate fragmentation in brown trout populations of the Pedroso River (Duero basin) to assess the effect of artificial barriers in this system. Our results indicated a significant isolation of populations in the headwaters, which translates into a low genetic diversity, a small effective population size and a high rate of inbreeding. We also found an unexpected substructure in one of the downstream localities (PED‐02), where the youngest individuals were genetically different. Genetic analysis confirmed that these rare individuals come from a hatchery native stock used to stocking Pedroso River. Because this stock was originated with individuals from Pedroso itself, we must consider that a strong founder effect took place. Over the years, genetic drift accentuated the genetic differentiation of this stock from the original population. From our results, we made some recommendation for the management and conservation of brown trout in the Pedroso River, based on the removal of the main barriers that isolate the upstream populations, after stopping the restocking carried out with ‘native invaders’ fish from the local hatchery.
New Charge Transfer Complexes of Self‐Assembled TCNQ Derivatives and Picric acid:Synthesis, Characterization, Crystallography and Sensing Application”
Authors: Mohitkar Anuradha Sureshrao , Jayanty Subbalakshmi 
Published: February 2025

TCNQ derivatives with primary/secondary amines as substituents are commonly known as diaminodicyanoquinodimethanes (DADQs); a D‐π‐A molecular system, being zwitterionic are generally stable. Facile and simple charge transfer (CT) complexes were achieved by the reaction between 7,7‐bis(N,N‐dimethylethylenediamino)‐8,8‐dicyanodimethane (BMEDDQ),7,7‐bis(N,N‐diethylethylenediamino)‐8,8‐dicyanoquinodimethane (BDEDDQ) and picric acid (PA); resulting in BMEDDQ‐PA [1] and BDEDDQ‐PA [2], followed by effortless crystallization. [1], [2] were characterized by crystallography, spectroscopic and microscopic techniques. Crystallographic investigations revealed extensive H‐bonding, π‐π stacking, short contacts (< sum of the Van der Waals radii of atoms) among [1], [2] (molecular dipoles) and PA moieties; leading to the supramolecular self‐assemblies. Aggregation‐caused quenching (ACQ) was observed in solid [1] and [2], marking non‐emissive feature, compared to their solutions. BMEDDQ and BDEDDQ were further utilized for PA sensing. The limit of detection (LOD) was ~ 3.0×10‐6 M. Field emission scanning electron microscopy (FESEM) manifested varied aggregate formation with increasing PA concentration. Simplicity in synthesis and analysis accompanied by immediate color change i.e. fast response/fluorescence‐based quenching was noteworthy. Moreover, selectivity for PA, good sensitivity in solid as well as solution, and solubility in MeCN: H2O (1:9) mixture accomplish adequacy in detection from water bodies, thus manifest BMEDDQ and BDEDDQ as potential chemosensors for the detection of PA.
Didactic Strategy for Applied Learning of Control of State‐Space Systems Through Low‐Cost Electronic Modules
Authors: Rivadeneira Pablo S. , Candelo Jhon E. , Hoyos Fredy , Botero Héctor A. 
Published: February 2025

ABSTRACTThere is a growing need to apply advanced control techniques in industrial processes, and the state space provides modern tools for solving these requirements. Engineers and scientists must be prepared to offer solutions for the industry according to the advances, requiring proper knowledge acquired from their careers in Universities. However, courses in state‐space control theory in some educational institutions lack the practical experience to implement the controllers designed by students and only use simulations to enhance the understanding of this theory. Therefore, this paper proposes a didactic strategy for applied control learning within the framework of the state‐variable control course through individual, portable, and low‐cost modules. The method is based on the building of two types of electronic modules that allow students to perform a self‐practical laboratory. In addition, classroom action research is applied, considering a purposive sampling of students. The research also considers theoretical and practical interventions to explain to students the use of each electronic module and the requirements for performing the tests. An evaluation tool is designed to assess the knowledge of the students before and after the intervention. The results show how students improve their performance in control theory and achieve more advanced concepts of control implementation. The first test showed that of all students enrolled in the course, only 5% obtained good grades. After the first practical intervention, up to 49% of the students obtained good grades. The final practical intervention allowed more than 80% of the students to achieve high grades.
Structural Biology of RNA and Protein‐RNA Complexes after AlphaFold3
Authors: Hennig Janosch 
Published: February 2025

AbstractRecent breakthroughs in AI‐mediated protein structure prediction have significantly accelerated research and generated valuable hypotheses within the field of structural biology and beyond. Notably, AlphaFold2 has facilitated the determination of larger protein complexes for which only limited experimental data are available. De novo predictions can now be experimentally validated with relative ease compared to the pre‐AlphaFold2 era. In May 2024, AlphaFold3 was launched with high expectations, promising the capability to accurately predict RNA structures and protein‐RNA complexes ‐ features that were absent in AlphaFold2. This review evaluates the extent to which AlphaFold3 fulfills this promise through specific examples. At present, AlphaFold3 falls short in reliably predicting RNA and protein‐RNA complex structures, particularly for non‐canonical interactions where training data remain scarce. As a result, users should exercise caution when using AlphaFold3 predictions as hypotheses generators for RNA and protein‐RNA complex structures. In the interim, integrating AI‐based predictors with data‐driven docking tools is recommended to address these limitations. This approach can help bridge the gap until sufficient training data are available to enable the development of more reliable predictive algorithms.
Three Different Primary Cancers, Including Breast, Esophagus, and Renal in a Single Patient: A Case Report
Authors: Alinejad Khorram Amir , Soleimani Mohammad , Amani‐Beni Ali , Mollasharifi Tahmineh , Amani‐Beni Reza , Allameh Farzad 
Published: February 2025

ABSTRACTThere are different combinations of multiple primary cancers; however, the combination of breast, esophagus, and renal cancer has been reported in a few cases. Given the rising prevalence of multiple primary cancers over the past decade, understanding the risk factors for early detection is crucial.
Tailoring the first coordination shell of isolated Ti(IV) active sites in zeolite frameworks boosting catalytic activity in epoxidation
Authors: Klinyod Sorasak , Yomthong Krissanapat , Suttipat Duangkamon , Pornsetmetakul Peerapol , Kidkhunthod Pinit , Choojun Kittisak , Namuangruk Supawadee , Sooknoi Tawan , Wattanakit Chularat 
Published: February 2025

We present a strategy to precisely tune the local structure of the tetrahedrally coordinated titanium (Ti) sites incorporated in the zeolite framework via a one‐pot hydrothermal synthesis with the aid of a growth inhibitor (NH4F) without any further post‐modification step. This approach effectively prevents typical issues observed in post‐synthetic methods, such as Ti leaching and zeolite framework degradation. By optimizing the NH4F concentration, the formation of open Ti(OSi)3OH and Ti(OSi)3F active species can be precisely controlled. To elucidate the relationship between various Ti active species including closed Ti(OSi)4, open Ti(OSi)3OH, and open Ti(OSi)3F sites and their catalytic performance in methyl oleate (MO) epoxidation, we employ ultraviolet‐visible diffuse reflectance spectroscopy (UV‐Vis DRS), fluorine X‐ray absorption near edge structure spectroscopy (F‐XANES) and density functional theory (DFT) calculations. Our findings reveal that increased positive charges on Ti active centers, in the order of closed Ti(OSi)4 < open Ti(OSi)3OH < open Ti(OSi)3F, correlate with enhanced catalytic performance in MO epoxidation. However, an excessive proportion of Ti(OSi)3F species in the framework can diminish catalytic performance by promoting undesired side reactions. Therefore, we propose an optimized balance between open Ti(OSi)3OH and open Ti(OSi)3F species in the zeolite structure to maximize the catalytic activity of epoxidation.
Enhanced Protection of Carbon Steel Against Acid Corrosion: Synergistic Effect of s‐Triazine‐Anilino‐Morpholino‐Pyrazolyl Hybrids Through Electrochemical and Computational Insights
Authors: Shawish Ihab , Hammud Hassan H. , Aljamhi Waleed A. , El‐Lateef Hany M. Abd , Arfan Nur Hazimah B. Z. , Hamid Malai Haniti S. A. , Sheikh Nadeem S. , Alayoubi Samha , Bououdina Mohamed , Barakat Assem , El‐Faham Ayman 
Published: February 2025

AbstractCorrosion inhibitors extend material lifespan and reduce maintenance costs by forming protective layers on metallic surfaces. Herein, two molecular hybrids: N‐(4‐chlorophenyl)‐4‐(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)‐6‐morpholino‐1,3,5‐triazin‐2‐amine (1) and 4‐(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)‐N‐(4‐methoxyphenyl)‐6‐morpholino‐1,3,5‐triazin‐2‐amine (2) were prepared and characterized. Corrosion inhibition efficiencies of C‐steel in acid were evaluated using weight loss, impedimetric, and potentiometric techniques, complemented by computational calculations. The inhibition efficiency (%IE) was 96.5 % for inhibitor (1) and 99.2 % for (2) at 100 ppm (0.26 mM). The inhibitors functioned as mixed‐type corrosion inhibitors, effectively protecting the steel surface, as demonstrated by scanning electron microscopy (SEM). Inhibitors (1) and (2) followed Temkin and Langmuir adsorption model respectively. Moreover, density functional theory (DFT) for the neutral and protonated forms in both gaseous and aqueous phases, revealed that derivative (2), incorporating methoxy group, exhibited greater inhibition efficiency on a metal surface compared to derivative (1) incorporating Cl‐(electron‐withdrawing group). This is attributed to the electron‐donating effect of the methoxy group in (2), in consistence with the experimental results. Additionally, MC simulations indicated a higher value of ΔEads/ΔNi associated with the metal adsorbate interaction for derivative (2), and thus more favorable and stable adsorption on the metal surface. This stronger interaction contributed significantly to its superior corrosion inhibition performance compared to derivative (1).
Visualization of Local Strain Distributions in All‐Solid‐State Batteries with Silicon Negative Electrodes Using Digital Image Correlation for Operando/In situ Microscopy Images
Authors: Otoyama Misae , Terasaki Nao , Takeuchi Tomonari , Okumura Toyoki , Kuratani Kentaro 
Published: February 2025

AbstractInvestigating local strain distributions is essential for developing long‐life all‐solid‐state batteries (ASSBs) because capacity fading primarily results from cracks and contact loss caused by volume changes in electrode active materials during battery operation. Digital image correlation (DIC) analysis can be used to create strain distribution maps from continuous images of materials under applied pressure. In this study, DIC analysis of operando confocal microscopy images of an ASSB cross‐section was conducted to elucidate the mechanical degradation mechanism in ASSBs with Si electrodes exhibiting ~300 % volume change. The Si electrode layer exhibited irreversible strain changes, whereas the solid electrolyte (SE) layer exhibited no significant strain changes. Furthermore, DIC analysis was performed using in situ SEM images focused on the Si electrode layer to investigate detailed strain distribution maps for individual Si particles. Higher strain changes were observed in the vertical direction within the SE layer, which led to cracks forming in relatively large Si particles at the beginning of the lithiation process. Visualizing local strain distribution in the electrode layer through DIC analysis of operando/in situ images is a powerful approach for understanding how and where cracks form.
Enhanced Performance of Photocatalytic CO2 Reduction Using Cu@Graphene Nanoparticle‐Decorated Co3O4 Nanoneedles
Authors: Lin Yi‐Xuan , Tsai Dung‐Sheng , Chen Zi‐Yu , Lee Chuan‐Pei 
Published: February 2025

AbstractA composite photocatalyst comprising cobalt oxide nanoneedles (Co₃O₄‐NDs) modified with multilayer graphene‐wrapped copper nanoparticles (MLG‐CuNPs) was synthesized for efficient photocatalytic CO₂ reduction. The Co₃O₄‐NDs and MLG‐CuNPs were prepared via hydrothermal method and low‐pressure chemical vapor deposition (LPCVD) technique, respectively. The related material characterizations of MLG‐Cu/Co₃O₄‐NDs are well investigated by scanning electron microscopy, high‐resolution transmission electron microscopy, X‐ray diffraction, Raman spectroscopy, and UV–vis spectroscopy. Photocatalytic carbon dioxide (CO2) reduction tests revealed that the carbon monoxide (CO) was identified as the primary product, accompanied by a small amount of methane (CH₄). The photocatalysis performance of MLG‐Cu/Co₃O₄‐NDs exhibited a total yield that was 2.59 and 3.52 times higher than those of MLG‐CuNPs and Co₃O₄‐NDs, respectively. The superior performance of MLG‐Cu/Co₃O₄‐NDs is attributed to the synergistic effects of Co₃O₄‐NDs and MLG‐CuNPs, as well as the LSPR effect of CuNPs. Additionally, the hierarchical heterostructure facilitates efficient electron‐hole pair separation, thereby enhancing overall photocatalytic efficiency. This study highlights the potential of combining metal oxides with conductive materials (i. e., graphene and copper) to develop highly active and stable photocatalysts for sustainable CO₂ conversion.
Comparison of Chemometric Explorative Multi‐Omics Data Analysis Methods Applied to a Mechanistic Pan‐Cancer Cell Model
Authors: Westerhuis J. A. , Heintz‐Buschart A. , Hoefsloot H. C. J. , van der Kloet F. M. , van der Ploeg G. R. , White F. T. G. 
Published: February 2025

ABSTRACTThe analysis of single cell multi‐omics data is a complex task, and many explorative data analysis methods are being used to draw information from such data. This paper compares several of these methods to visualize the output of a mechanistic model under various simulated conditions. The analysis methods include PCA, PARAFAC, ASCA, MASCARA, COVSCA, P‐ESCA, and PE‐ASCA. These techniques, applied to high‐dimensional data such as gene expression and protein levels, assess correlations across time series and experimental conditions. The study uses a complex mechanistic model of MCF10A cancer cells, simulating interactions between signaling pathways related to cell growth and division. Results show that while methods like PCA PARAFAC and ASCA reveal time‐dependent variations in protein data, mRNA data exhibit minimal systematic variation. MASCARA offers unique insights by identifying genes linked to specific pathways. This work highlights the potential and limitations of various data analysis methods in understanding multi‐omics data, particularly in single‐cell contexts where experimental variation and stochastic processes complicate interpretation.
The potential of solid‐state potassium‐ion batteries with polymer‐based electrolytes
Authors: Wang Tianqi , Yu Qiyao , Li Zongyou , Gao Yanjun , Huang Hanjiao , Dong Chunwei , Yang Caizhen , Chong Shaokun , Wang Wei , Zhang Jianguo 
Published: February 2025

AbstractAs a potential substitute for traditional nonaqueous organic electrolytes, polymer‐based solid‐state electrolytes (SSEs) have the advantages of high safety, flexibility, low density, and easy processing. In contrast, they still face challenges, such as low room‐temperature ionic conductivity, narrow electrochemical windows, and poor mechanical strength. To realize the practical application of all‐solid‐state alkali metal ion batteries, there has been a lot of research on modifying the chemical composition or structure of polymer‐based SSEs. In this review, the transport mechanism of alkali metal ions in polymer SSEs is briefly introduced. We systematically summarize the recent strategies to improve polymer‐based SSEs, which have been validated in lithium‐ion batteries and sodium‐ion batteries, including lamellar electrolyte structure, dual salts hybridization, oriented filler alignment, and so on. Then, taking the unique properties of potassium metal and potassium ions into consideration, the feasibility of potassium‐ion batteries for practical use enabled by these novel modification methods is discussed.
Structure of the Femoral Chordotonal Organ in the Oleander Hawkmoth, Daphnis nerii
Authors: Virdi Simran , Sane Sanjay P. 
Published: February 2025

ABSTRACTInsect legs serve as crucial organs for locomotion and also act as sensory probes into the environment. They are involved in several complex movements including walking, jumping, prey capture, manipulation of objects, and self‐grooming. These behaviors require continuous modulation of motor output through mechanosensory feedback, which is provided by numerous mechanosensors located on the cuticle and within the soft tissue. A key mechanosensory organ in the insect leg, the femoral chordotonal organ (FeCO), detects movements of the femoro‐tibial joint. This organ is multifunctional and senses both self‐generated movements (proprioception) and external stimuli (exteroception). Movements of the tibia alter the length of FeCO, which activates the embedded mechanosensory neurons. Due to the mechanical nature of these stimuli, the structure and material properties of the FeCO are crucial for their function, alongside the encoding properties of FeCO neurons. Here, as a first step toward understanding how its structure modulates its function, we characterized the morphology and anatomy of FeCO in the hawkmoth Daphnis nerii. Using a combination of computed micro‐tomography, neuronal dye fills, and confocal microscopy, we describe the structure of FeCO and the location, composition, and central projections of FeCO neurons. FeCO is located in the proximal half of the femur and is composed of the ventral (vFeCO) and dorsal scoloparia (dFeCO), which vary vastly in their sizes and in the number of neurons they house. Moreover, the characteristic accessory structures of chordotonal organs, the scolopales, significantly differ in their sizes when compared between the two scoloparia. FeCO neurons project to the central nervous system and terminate in the respective hemiganglia. Using these morphological data, we propose a mechanical model of FeCO, which can help us understand several FeCO properties relating to its physiological function.
UV‐Polymerized Zincophilic Ion‐Enhanced Interfacial Layer With High Ion Transference Number for Ultrastable Zn Metal Anodes
Authors: Zhao Ruhan , Feng Ziyu , Kuang Rongqian , Li Zhijian , Lu Ke , Zhang Hong , Lu Songtao 
Published: February 2025

ABSTRACTAqueous zinc‐ion batteries (AZIBs) are considered one of the most viable options for large‐scale energy storage applications due to their high theoretical capacity and abundant reserves. However, issues such as dendritic growth and water‐induced corrosion reaction of the zinc anode have hindered their commercialization. To address these challenges, in situ generated multifunctional poly(caffeic acid) (PCA) interface with confined Cu sites and abundant oxygen‐containing groups was constructed on the surface of the zinc metal anode via ultraviolet (UV) treatment. The smooth and compact PCA effectively prevents the zinc anode from corrosion by active water in the electrolyte, while the synergies of zincophilic groups and the confined copper sites constitute 3D ion channels of PCA skeleton accelerates the migration of Zn2+ and enhance deposition kinetics, thus lowering Zn2+ desolvation energy. The symmetric cells using the PCA‐modified Zn anode demonstrated stable cycling for over 2500 h and 2200 h at current densities of 1.0 and 5.0 mA cm−2, respectively, much better than controls. Additionally, the assembled PCA@Zn//I2 full cell enabled continuous cycling over 1000 cycles at a current density of 1.0 A g−1 and presented reliable operation over 100 cycles in a pouch cell configuration.