bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular Bridge in Wide‐Bandgap Perovskites for Efficient and Stable Perovskite/ Silicon Tandem Solar Cells
Authors: Ye Tianshi , Qiao Liang , Wang Tao , Wang Pengshuai , Zhang Lin , Sun Ruitian , Kong Weiyu , Xu Menglei , Yan Xunlei , Yang Jie , Zhang Xinyu , Yang Xudong 
Published: February 2025

AbstractPerovskite/silicon tandem solar cells (TSCs) attract intensive attention because of their potential to deliver power conversion efficiencies (PCE) beyond those of their single‐junction counterparts. However, the performance and stability of tandem devices are limited by defect‐assisted non‐radiative recombination and light‐induced halide segregation in wide‐bandgap (WBG) perovskite sub‐cells. Here, 2‐aminoethanesulfonamide hydrochloride (AESCl), with multi‐point chelation sites and bridging capability, is incorporated into a 1.68 eV WBG perovskite to comprehensively passivate defects at grain boundaries and surfaces. As a result, AESCl‐treated perovskite films show suppressed halide segregation and a champion WBG single‐junction solar cell achieves an impressive efficiency of 22.80% with an open‐circuit voltage of 1.286 V due to reduced non‐radiative recombination. The efficient WBG perovskite sub‐cells enable perovskite/silicon TSCs to reach a champion PCE of 30.36% over 1 cm2. Moreover, the tandem devices retain over 96% of their initial efficiency after operation for 1068 h under continuous AM 1.5G illumination at 25 °C in ambient air.
Metastability‐Induced Atom Coordination and Electron Relocalization Toward Dendrite Free All‐Solid‐State Lithium Batteries
Authors: Ke Junmin , Xu Guofeng , Liu Furong , Wang Changhong , Zhao Jinling , Wu Mengru , Zulfiqar Ali , Wang Jiantao , Sun Xueliang 
Published: February 2025

AbstractLi‐argyrodite electrolytes have attracted special attention as the promising candidate for all‐solid‐state batteries considering its high ionic conductivity and relative stability. However, the interfacial compatibility issues associated with PS43− tetrahedra decomposition led to dendrite growth and rapid battery failure in integrating the lithium metal anode. Herein, in situ electrochemical (de)lithiation of Li6PS5Cl coated with Mg(ClO4)2 (LPSC‐MCO) induced by metastable decomposition is proposed to mitigate undesirable reactions at lithium anode through atomic coordination and electron relocalization. The inhibition of electrochemical decomposition for PS₄3⁻ tetrahedra is due to the formation of PS3O3− and the components regulation from Li2S and Li3P to Li2O, LiCl in solid electrolyte interphase. Additionally, the ab initio molecular dynamics (AIMD) and density functional theory (DFT) analysis are utilized to uncover the fundamental mechanism behind the interactions of Li‐O and Li‐Cl and electron redistribution around O, Cl, and Mg. A high critical current density of 1.9 mA cm−2 and stable lithium plating/stripping behaviors over 2300 h are presented to verify the suppression for lithium dendrite and the NCM/LPSC‐MCO/Li cell consequently exhibits excellent performance. It inspires new pathways of probing into atom coordination and electron relocalization to address (electro)chemical decomposition and dendrite issues in all‐solid‐state batteries.
Construction of Lignin‐Assisted Nitrogen Defective Engineering Graphitic Carbon Nitride for HMF Selective Conversion to Maleic Acid Through Photo‐Thermal Processes
Authors: Zhao Yue , Wang Zhen , Wang Xinrui , Sun Pingli , Meng Fanyao , Yang Guihua , Zhou Xiaomeng , Wang Jianing , Zhang Xinjian , Lyu Gaojin 
Published: February 2025

AbstractDesign engineering for the preparation of green and inexpensive catalysts assisted by lignocellulosic biomass or biomass‐based derivatives has garnered significant attention. Herein, alkali lignin (AL) is utilized as a carbon precursor to prepare porous coral‐like g‐C3N4 (x% PLCN) with nitrogen defects and biochar persistent free radicals (biochar‐PFRs). This catalyst is applied for photo‐thermal catalysis of HMF to produce maleic acid (MA). The optimal yield of MA (50.43%) is achieved using 1.5% PLCN in a GVL/FAc (1:1, V/V) solution at 90 °C for 4 h under visible light irradiation. Results show alkali lignin plays a key role in forming biochar components and introducing nitrogen defects into the catalysts, which significantly boosts H2O2 generation (156.68 µmol L−1 h−1). Under photocatalytic conditions, biochar‐PFRs induce the generation of ·OH through a metal‐free Fenton‐like reaction and provide active sites for the recombination of ·OH and ·O2− to form 1O2. The presence of 1O2 greatly enhances the selective generation of MA. Additionally, the increased Lewis acidity of x% PLCN activates the C─C bond in HMF under thermal catalytic conditions, further facilitating HMF conversion. This work presents a new approach for biomass‐based material refinement through thermal‐photo catalysis.
Understanding the Stability of Poorly Covered Pickering Emulsions Using on‐Chip Microfluidics
Authors: Shen Xuefeng , Chen Chang , van der Meer Berend , Kodger Thomas E. , Sen Uddalok , Deshpande Siddharth , van der Gucht Jasper 
Published: February 2025

AbstractParticle‐stabilized emulsions, also known as Pickering emulsions, have shown promise in areas that require long‐term stability with minimum use of surfactants. While most work has focused on densely covered Pickering emulsions, such emulsions are known to retain stability even when the interfaces are sparsely covered with particles. Here, the formation, dynamics, and stability of poorly covered model Pickering emulsions are studied in a controlled manner by utilizing a microfluidic platform. The formed Pickering emulsions remain highly stable, over at least 12 h, even with a surface area coverage below 3%. By directly visualizing the droplet interface at various stages, the exceptional stability is attributed to the highly spatially heterogeneous distribution of adsorbed particles which exclusively form particle bridges at the contact point between the droplets. Remarkably, these bridges are assembled in the form of crowns between the droplet interfaces, as visualized by confocal microscopy. The assembly behavior of the adsorbed particles in response to hydrodynamic forces and the formation of non‐uniform particle distribution are discussed by analyzing the different forces present during emulsification, corroborated by numerical simulations. In conclusion, using a lab‐on‐a‐chip approach, this work provides further understanding toward the fabrication of Pickering emulsions via preferential interfacial localization of particles.
Legged Robot with Tensegrity Feature Bionic Knee Joint
Authors: Wen Qi , Zhang Meiling , Sun Jianwei , Li Weijia , Chu Jinkui , Wang Zhenyu , Zhang Songyu , Ren Luquan 
Published: February 2025

AbstractLegged robots, designed to emulate human functions, have greatly influenced numerous sectors. However, the focus on continuously improving the joint motors and control systems of existing legged robots not only increases costs and complicates maintenance but also results in failure to accurately mimic the functionality of the human skeletal‒muscular system. This study introduces a bionic legged robot structure that leverages the tensegrity principle, drawing inspiration from the human leg's structural morphology and kinematic mechanisms. By designing a system that distinguishes between rolling and sliding movements, the human knee's variable instantaneous center of rotation (ICR), is successfully replicated showcasing its capabilities in achieving gait resemblance and vibration absorption. The tensegrity unit's features, including remarkable deformability, self‐recovery, and the four‐bar mechanism's singular position characteristic, alongside a rope unlocking mechanism reminiscent of human muscles, facilitate in situ compliance–rigid–compliance transitions of the knee joint without the need for knee joint motors, relying solely on ground contact through the foot. This innovation overcomes the conventional dependency of legged robots on joint motors, as the system requires only a single DC motor positioned at the hip joint and a straightforward control program to seamlessly execute a complete cycle of a single leg's movement.
Effect of Extracellular Vesicles Derived From Tumor Cells on Immune Evasion
Authors: Liu Xuanfan , To Kenneth K.W. , Zeng Qinsong , Fu Liwu 
Published: February 2025

AbstractThe crosstalk between immunity and cancer in the regulation of tumor growth is considered a hallmark of cancer. Antitumor immunity refers to the innate and adaptive immune responses that regulate cancer development and proliferation. Tumor immune evasion represents a major hindrance to effective anticancer treatment. Extracellular vesicles (EVs) are nano‐sized and lipid‐bilayer‐enclosed particles that are secreted to the extracellular space by all cell types. They are critically involved in numerous biological functions including intercellular communication. Tumor‐derived extracellular vesicles (TEVs) can transport a variety of cargo to modulate immune cells in the tumor microenvironment (TME). This review provides the latest update about how tumor cells evade immune surveillance by exploiting TEVs. First, the biogenesis of EVs and the cargo‐sorting machinery are discussed. Second, how tumor cells modulate immune cell differentiation, activation, and function via TEVs to evade immune surveillance is illustrated. Last but not least, the novel antitumor strategies that can reverse immune escape are summarized.
Tunable Emissions in Zero‐Dimensional (C6H5CH2NH3)3InBr6 Enabled by Controlled Structural Amorphization
Authors: Li Qian , Xu Bin , Xu Xiaofan , Wang Yayun , Quan Zewei 
Published: February 2025

ABSTRACTZero‐dimensional (0D) hybrid metal halides (HMHs) hold great promise as multifunctional emitters. However, precise functionalization of organic moieties and controlled modulation of self‐trapped exciton (STE) emission from inorganic polyhedra remain challenging. This study introduces 0D (PMA)3InBr6 (PMA+ = C6H5CH2NH3+) as a multifunctional emitter, leveraging pressure‐induced structural regulation to control photoluminescence properties. Increasing pressure leads to simultaneous contraction and distortion of InBr63− octahedra, shifting the STE emission color from orange to green. At high compression, structural amorphization quenches STE emission, but upon pressure release, a bright cyan emission from the PMA+ cation emerges, with intensity approximately 21 times stronger than that of the initial STE emission. The enhanced emission is attributed to altered molecular configurations, disrupted intermolecular contacts, and reduced lattice vibrations, collectively suppressing excimeric coupling and minimizing nonradiative losses in the recovered amorphous phase. Furthermore, emission conversion is also achieved via laser‐induced structural amorphization, expanding the potential of (PMA)3InBr6 for direct laser writing and sensitive laser detection applications.
Expanded Clinical Phenotype and the Role of Untargeted Metabolomics Analysis in Confirming the Diagnosis of Sodium‐Dependent Multivitamin Transporter Deficiency
Authors: Walimbe Ameya S. , Waskow Emily , Mackay Laura , Miller Marcus , Gijavanekar Charul , Difalco Charles R. , Elsea Sarah H. , Scaglia Fernando 
Published: February 2025

ABSTRACTThe sodium‐dependent multivitamin transporter (SMVT) is a ubiquitously expressed sodium‐solute symporter that transports pantothenic acid, biotin, and α‐lipoic acid across the intestinal epithelia and blood–brain barrier. Severe biallelic loss‐of‐function variants in SLC5A6 (MIM #604024) lead to SMVT deficiency (SMVTD, MIM #618973), which classically presents with developmental delay, brain atrophy, epilepsy, sensorineural hearing loss, peripheral neuropathy, and gastrointestinal, cutaneous, and immunologic abnormalities. We describe a 25‐year‐old female with autism spectrum disorder (ASD), intellectual disability, agenesis of the corpus callosum (ACC), and epilepsy who presented at 15 years of age with a severe metabolic crisis characterized by hyperammonemia, lactic acidosis, and rhabdomyolysis. Trio exome sequencing (ES) identified compound heterozygous variants in SLC5A6. Plasma untargeted metabolomics analysis demonstrated reduced pantothenate and coenzyme A with elevated long‐chain fatty acids, indicating impaired fatty acid oxidation, functionally validating ES results, and confirming a diagnosis of SMVTD. Targeted replacement with biotin, lipoic acid, and pantothenic acid improved her neurocognitive function and metabolic control. Our patient, the oldest reported at diagnosis, expands the phenotype of SMVTD to include rhabdomyolysis, ACC, and ASD. Our study suggests that integrating ES and untargeted metabolomics in undiagnosed patients with suspected inborn errors of metabolism may help identify this ultra‐rare disorder.
Soluble Aβ pathology predicts neurodegeneration and cognitive decline independently on p‐tau in the earliest Alzheimer's continuum: Evidence across two independent cohorts
Authors: Cacciaglia Raffaele , Falcón Carles , Benavides Gonzalo Sánchez , Brugulat‐Serrat Anna , Alomà Marta Milà , Calvet Marc Suárez , Molinuevo José Luis , Fauria Karine , Minguillón Carolina , Kollmorgen Gwendlyn , Quijano‐Rubio Clara , Blennow Kaj , Zetterberg Henrik , Lorenzini Luigi , Wink Alle Meije , Ingala Silvia , Barkhof Frederik , Ritchie Craig W. , Gispert Juan Domingo ,   for the ALFA study
Published: February 2025

AbstractINTRODUCTIONIdentifying the link between early Alzheimer's disease (AD) pathological changes and neurodegeneration in asymptomatic individuals may lead to the discovery of preventive strategies. We assessed longitudinal brain atrophy and cognitive decline as a function of cerebrospinal fluid (CSF) AD biomarkers in two independent cohorts of cognitively unimpaired (CU) individuals.METHODSWe used longitudinal voxel‐based morphometry (VBM) in combination with hippocampal subfield segmentation. Changes in neuroimaging and cognitive variables were inspected using general linear models (GLMs) adjusting by age, sex, apolipoprotein E (APOE) status, follow‐up time, and years of education.RESULTSIn both cohorts, baseline CSF amyloid beta (Aβ) biomarkers significantly predicted medial temporal lobe (MTL) atrophy rates and episodic memory (EM) decline independently of CSF phosphorylated tau (p‐tau).DISCUSSIONOur data suggest that soluble Aβ dyshomeostasis triggers MTL longitudinal atrophy and EM decline independently of CSF p‐tau. Our data underscore the need for secondary preventive strategies at the earliest stages of the AD pathological cascade.Highlights
We assessed brain atrophy and cognitive decline in asymptomatic individuals.
Aβ biomarkers predicted MTL atrophy independently of p‐tau.
Our results underscore the importance of undertaking Alzheimer's preclinical trials.
Validation and Mechanistic Studies of the Headspace Effect in MOF Synthesis
Authors: Donovan Julia C. , Wright Keenan R. , Matzger Adam J. 
Published: February 2025

AbstractThe influence of headspace volume and composition on metal–organic framework (MOF) synthesis has been largely overlooked with no mechanisms currently invoking these factors. Herein, we reveal that an increased volume of oxygen in the headspace during the synthesis of zinc carboxylate‐based MOFs (MOF‐5, MOF‐177, and IRMOF‐8) as well as UiO‐66 and ZJU‐28 accelerates crystal formation. Investigation into the underlying mechanism of this phenomenon elucidates the critical roles played by all reagents, and some of their byproducts, in MOF synthesis. These insights are the key to developing more efficient and sustainable synthetic strategies for MOF production.
Forensic‐Based and Environmentally Responsible Protocol to Manage Shark Fatal Bites on Humans Can Better Contribute to Conservation Needs
Authors: Clua Eric E. G. , Baksay Sandra , Bidenbach Hadrien , Bartoli Blaise , Lacroix Bertrand , Vely Michel , Freeman Mark 
Published: February 2025

ABSTRACTAlthough sharks are important for marine ecosystems, they still suffer culling campaigns after human fatalities. A case study from the Caribbean shows how the rapid use of several complementary and reproducible forensic techniques not only allowed the confirmation of the species implicated in the bite but also the accurate assessment of the size of the animal. Six non‐lethal fishing sessions led to the capture of several shark individuals that were released after either being eliminated due to their unsuitable size or the absence of human remains in their stomach. Such an ecologically responsible risk management can contribute to shark conservation.
Advancing Management of the Main Predatory Sharks Along the Argentine Coast: Leveraging Habitat Use Knowledge and Historical Catch Data
Authors: De Wysiecki Agustín M. , Sánchez‐Carnero Noela , Milessi Andrés C. , Jaureguizar Andrés J. 
Published: February 2025

ABSTRACTThis study investigates the spatial overlap in habitat use among four key predatory species—school shark (Galeorhinus galeus), broadnose sevengill shark (Notorynchus cepedianus), copper shark (Carcharhinus brachyurus) and sand tiger shark (Carcharias taurus)—along the Argentine coast to identify important areas for joint management. Leveraging habitat suitability predictions for these predators, we generated annual and seasonal maps to identify significant regions of habitat overlap. Notably, the coastal zone between the Uruguayan and northern Argentine coasts emerged as crucial for developing fishery management and conservation strategies for these four species. Historical catch data also identified important zones for recreational fishing and potential nursery sites, stressing the need for targeted management of the coastal area between Punta Rasa and Mar del Plata (36.3°–38° S). This highlights the necessity of comprehensive fishing regulations with stronger enforcement in the unregulated provincial waters of Chubut and Santa Cruz, as well as the Uruguayan coast. Our findings underscore the importance of integrating species‐specific ecological data in designing marine protected areas and conservation strategies tailored to the unique life history and movement patterns of these sharks. Additionally, the study emphasizes the need for adaptive, multijurisdictional management strategies to accommodate the migratory nature of these species across provincial and national waters. The implications of these findings are discussed within the context of current chondrichthyan policy in Argentina, presenting a foundational basis for informing future management strategies aimed at sustaining shark populations in the Southwest Atlantic.
Proteome‐Wide Profiling of Olaparib Interactors Using a Biotinylated Photoaffinity Probe
Authors: van der Heijden Femke L. A. M. , Weijers Suzanne A. , Bleijerveld Onno , Kliza Katarzyna W. , Vermeulen Michiel , Filippov Dmitri V. 
Published: February 2025

AbstractOlaparib is a widely used PARP inhibitor for the treatment of BRCA‐mutated cancers. To comprehensively understand the drug‘s clinical impact, measuring its interactions with intended on‐ and off‐targets is crucial. In this study, olaparib‘s on‐ and off‐targets were profiled using photoaffinity labeling, a powerful, proteome‐wide method for studying the direct interactions between a drug and its protein targets. A novel photoaffinity probe was designed and used in a proteomic screening to discover novel targets of olaparib in the human proteome. The probe, incorporating a pre‐installed biotin group, bypasses the limitations of using a copper(I)‐catalyzed click reaction in cell lysates for reporter group conjugation and revealed a broad range of olaparib interactors, including previously unreported proteins, in a quantitative mass spectrometry‐based proteomic screening using HeLa whole cell lysate. This study contributes to our current understanding of the pharmacology of olaparib and provides a valuable tool for elucidating drug interactors within cell lysates, potentially guiding the development of more targeted therapeutics with fewer off‐targets.
Determination of the Lyapunov Exponent of Chemical Reactors From One Measurement Series
Authors: Berezowski Marek 
Published: February 2025

AbstractThis paper presents a method for determining the Lyapunov exponent without knowing the mathematical model of the object being studied and based on a single measurement series. This method allows for effective analysis of dynamic systems with a high degree of complexity. The studies were carried out on a model of coupled tubular chemical reactors described by four partial differential equations.
Effect of Halogen Substitution on the Regioselective Deiodination of Thyroid Hormone Analogues by Deiodinase Mimics
Authors: Giri Debasish , Mugesh Govindasamy 
Published: February 2025

AbstractThe deiodination of L‐thyroxine (T4) by the three isoforms of selenium‐containing iodothyronine deiodinases (DIOs) is an important process in the human body for the maintenance of the thyroid hormone homeostasis. The 5′‐deiodination of T4 by DIO1 or DIO2 produces the biologically active hormone 3,5,3′‐triiodo thyronine (T3) and 5‐deiodination by DIO1 or DIO3 generates 3,3′,5′‐triiodo thyronine (rT3), which is considered to be biologically inactive. Selenium compounds are known to mimic the function of DIO3 by catalyzing the 5‐deiodination of T4 and a co‐operative halogen and chalcogen bonding is responsible for their activity. The substitution of 4′‐OH group of T4 by an electron withdrawing group not only alters the reactivity but also changes the regioselectivity of deiodination. However, the effect of other halogen atoms (F, Cl or Br) in place of iodine in T4 on the regioselectivity has not been explored. In this paper, we describe simple synthetic methodologies toward various halogen analogues of T4. We also show that 2D NMR spectroscopy can be used as a powerful tool to identify the location of various halogen substitutions on the phenolic or tyrosyl rings. The deiodination experiments with peri‐substituted naphthalene diselenol reveal that the regioselectivity or specificity towards iodine atom is not altered upon introduction of more electronegative halogen atoms (F, Cl and Br), reinforcing the concept of halogen bonding in the deiodination reactions.
Valence Electron Count‐Based Density Functional Theory to Investigate Structural Stability, Optoelectronic and Thermoelectric Properties of New p‐Type Half‐Heusler Zryau (Y=B, Al) Alloys
Authors: El Imene Bennoui Radja Nour , Adli Walid , Al‐Douri Y. , Belkharroubi Fadila , Sidjilani Fatima , Bentayeb Abdelkader , Khelfaoui Friha , Belmiloud Nawal , Bendella Sid Ahmed , Alagui Lakhdar , Dib Anis Samy Amine , Belkaid Mohammed Noureddine 
Published: February 2025

AbstractThe full‐potential linearized augmented plane wave (FP‐LAPW) method within the framework of density functional theory (DFT) and semi‐classical Boltzmann transport theory under the constant relaxation time approximation has been employed to investigate the structural, mechanical, optoelectronic and thermoelectric properties of novel half‐Heusler (HH) ZrYAu alloys (where Y=B or Al) with a valence electron count (VEC) of 8. Our results indicate that both compounds are mechanically stable in structure Type 1 and possess negative formation energies. Additionally, ZrBAu and ZrAlAu display semiconducting behavior, with ZrBAu showing a direct band gap, 0.753 eV (0.774 eV) at point Γ→X and ZrAlAu exhibiting an indirect band gap, 0.431 eV (0.482 eV) at point Γ→Γ, using the generalized gradient approximation (GGA) and Modified Becke and Johnson‐generalized gradient approximation (mBJ‐GGA), respectively. Based on optical properties, both ZrBAu and ZrAlAu exhibit high optical conductivity within the visible spectrum. In terms of visible light absorption, ZrBAu primarily absorbs blue light, while ZrAlAu absorbs yellow, blue‐green and violet light. However, both compounds are effective absorbers of UV light. Regarding thermoelectric performance, the thermoelectric parameters reveal that ZrBAu and ZrAlAu demonstrate significant p‐type thermoelectric power. These half‐Heusler alloys have a high‐power factor, making them promising candidates for thermoelectric applications.