bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pressure‐Induced Capacity Recovery and Performance Enhancements in LTO/NMC‐LCO Batteries
Authors: Chahbaz Ahmed , Luo Yucheng , Stahl Gereon , Ditler Heinrich , Jaumann Tony , Glinka Martin , Lingen Christian , Sauer Dirk Uwe , Li Weihan 
Published: October 2024

AbstractLithium titanate oxide (LTO) batteries are a promising technology, particularly suitable for high‐power applications, owing to their inherent cyclic stability, fast charging capability, and superior safety. However, substantial gas generation and accelerated aging driven by the cathode remain substantial challenges. This study explores the mitigation of these aging mechanisms through the application of external mechanical compression. Continuous pressure of 0.3 MPa applied to pristine cells during cycling reduces capacity loss by 42% compared to unpressurized cells cycled under identical operating conditions. Applying short‐term pressure to aged cells leads to immediate capacity recovery, reclaiming up to 57% of the lost capacity. Subsequent cycling of these aged cells under continuous pressure demonstrates improved capacity retention. In contrast, intermittently applied transient pressure causes notable capacity fluctuations. This study reveals insights into aging and healing mechanisms influenced by external pressure, benefiting both first‐ and second‐life battery applications. Understanding these mechanisms is vital for enhancing performance and lifetime in battery packs, while the findings also highlight promising opportunities for capacity recovery in reused batteries.
A Closed‐Loop Cascade Strategy for On‐Demand Regulation of Uric Acid
Authors: Nie Chenyao , Xu Ji , Zhao Yuhui , Nan Ke , Tan Manqi , Liu Zhaobo , Huang Ming , Ren Wenzhi , Wang Bing 
Published: October 2024

AbstractDespite that the current anti‐hyperuricemia drugs can effectively reduce uric acid (UA) levels, imprecise medication dosage or uncontrolled lowering of UA levels may result in undesired effects. To address this issue, a closed‐loop cascade strategy based on a biocompatible network composite, NW‐FPNP/uricase (UOX), is proposed for on‐demand regulation of UA levels. NW‐FPNP/UOX is constructed by encapsulation of UOX) as UA‐responsive element and FPNP, a nanoparticle of phenylboronic acid modified xanthine oxidase (XOD) inhibitor febuxostat, as H2O2‐sensitive element with AMP/Gd3+ network. It interrelates the UA metabolization and generation processes into a closed loop of cascade reactions involving UOX‐catalyzed UA metabolization and H2O2 generation, H2O2‐triggered febuxostat regeneration and XOD inhibition, and XOD‐catalyzed UA generation. Through UA level‐dependent auto‐adjustment of XOD activity, specially 6% at 600 × 10−6 m UA compared to 82% at 100 × 10−6 m, UA levels can be regulated to an appropriate range through dynamically balancing UA metabolization and generation. This biocompatible on‐demand UA regulation system prevents the overdose of UA‐lowering medications and avoids hypouricemia in hyperuricemia treatment, demonstrating great potential in intelligent UA level management. This work also introduces a new concept of a closed‐loop cascade strategy for on‐demand regulation of biochemical indicators within specific thresholds.
Engineering Radiocatalytic Nanoliposomes with Hydrophobic Gold Nanoclusters for Radiotherapy Enhancement
Authors: Carigga Gutierrez Nazareth Milagros , Clainche Tristan Le , Bulin Anne‐Laure , Leo Sofia , Kadri Malika , Abdelhamid Ahmed Gamal Ali , Pujol‐Solé Núria , Obaid Girgis , Hograindleur Marc‐André , Gardette Vincent , Busser Benoit , Motto‐Ros Vincent , Josserand Véronique , Henry Maxime , Sancey Lucie , Hurbin Amandine , Elleaume Hélène , Kandiah Eaazhisai , Guével Xavier Le , Coll Jean‐Luc , Broekgaarden Mans 
Published: October 2024

AbstractChemoradiation therapy is on the forefront of pancreatic cancer care, and there is a continued effort to improve its safety and efficacy. Liposomes are widely used to improve chemotherapy safety, and may accurately deliver high‐Z element‐ radiocatalytic nanomaterials to cancer tissues. In this study, the interaction between X‐rays and long‐circulating nanoliposome formulations loaded with gold nanoclusters is explored in the context of oxaliplatin chemotherapy for desmoplastic pancreatic cancer. Hydrophobic gold nanoclusters stabilized with dodecanethiol (AuDDT) are efficiently incorporated in nanoliposomal bilayers. AuDDT‐nanoliposomes significantly augmented radiation‐induced •OH production, which is most effective with monochromatic X‐rays at energies that exceed the K‐shell electron binding energy of Au (81.7 keV). Cargo release assays reveal that AuDDT‐nanoliposomes can permeabilize lipid bilayers in an X‐ray dose‐ and formulation‐dependent manner. The radiocatalytic effect of AuDDT‐nanoliposomes significantly augments radiotherapy and oxaliplatin‐chemoradiotherapy outcomes in 3D pancreatic microtumors. The PEGylated AuDDT‐nanoliposomes display high tumor accumulation in an orthotopic mouse model of pancreatic cancer, showing promise for nanoliposomes as carriers for radiocatalytic nanomaterials. Altogether, compelling proof for chemo‐radiation dose‐enhancement using AuDDT‐nanoliposomes is presented. Further improving the nanoliposomal loading of high‐Z elements will advance the safety, efficacy, and translatability of such chemoradiation dose‐enhancement approaches.
Enhanced Terahertz Characterization of Multilayer Graphene on Guided‐Mode Resonance Filter: Boosting Sensitivity and Precision in Electrical and Optical Characteristics
Authors: Bark Hyeon Sang , Park Mun‐Won , Bae Ji Eun , Jang Kyu‐Ha , Jeong Young Uk , Lee Kitae , Rotermund Fabian , Jeon Tae‐In 
Published: October 2024

AbstractIn this study, terahertz time‐domain spectroscopy (THz‐TDS) is employed for the first time to explore the characteristics of mono‐, bi‐, and tri‐layer graphene coated on guided‐mode resonance filters (GMRFs). Owing to high quality‐factor (Q‐factor) resonances of GMRF, the proposed method significantly enhances the resonance depth variation by up to 9.3, 5.1, and 4.2 times at 0.58 THz in TE mode for mono‐, bi‐, and tri‐layer graphene, respectively, in contrast to conventional THz‐TDS methods relying on amplitude variation at 0.50 THz in TE mode. Excellent agreement is observed between experimental results and theoretical simulations using the Kubo formula and Drude model, even accounting for variations in sidelobes at an incident angle of 0.6 degrees. Through meticulous fitting process between measurements and simulations for the resonances formed by the GMRF and graphene, the study accurately determines the electrical and optical properties of mono‐, bi‐, and tri‐layer graphene, including frequency‐dependent sheet conductivity (σs(ω)), mobility (μ), carrier density (N), and Fermi velocity (vF). Furthermore, in the THz high‐frequency region, the observation reveals that as the number of graphene layers increases, the decrease in σs(ω) occurs more rapidly than in single‐layer graphene, attributed to the screening effect arising from electronic interactions between each graphene layer.
Design and Analysis of a 3D Frictional Mechanical Metamaterial for Efficient Energy Dissipation
Authors: Jeong Eunhyeuk , Calius Emilio , Ramezani Maziar 
Published: October 2024

AbstractThis study introduces a novel frictional mechanical metamaterial composed of a central hexagon or re‐entrant honeycomb frame, a lower section with four tapered columns, and an upper portion with a blade shape. When subjected to an external uniaxial force, the 3D structure of the metamaterial utilizes sliding interactions to dissipate frictional energy. The mechanical properties of the proposed metamaterial, such as load‐displacement relationships, hysteresis area, and peak force, can be fine‐tuned by adjusting geometric parameters and constituent materials. Extensive analysis is conducted through experimental compression tests, finite element (FE) simulations, and theoretical modeling. Comparative assessments of the metamaterial's energy dissipation performance demonstrated a good agreement between experimental and simulation results, with minor variations observed for deeper compression cycles. The proposed metamaterial offers the potential for superior elastic energy absorption and dissipation, making it a promising solution for applications requiring repeated energy dissipation or damping under cyclical loads while maintaining a lightweight profile.
Leveraging Phenazine‐Based Ligands for Optimized Perovskite Optoelectronic Performance Through Chelation and Redox Engineering
Authors: Aggarwal Pooja , Chaudhary Ayushi , Singh Siddharth , Singh Ritika Gautam , Govind Rao Vishal 
Published: October 2024

AbstractPerovskite nanocrystals (PNCs) hold immense potential for optoelectronic and photovoltaic applications. However, their performance is hindered by surface defects that promote non‐radiative recombination and reduce stability. Surface engineering, particularly through defect passivation, is crucial for achieving high‐performing perovskite solar cells. Chelation has been shown to significantly improve the efficiency and stability of perovskite solar cells. In this study, a novel chelation strategy using 1,10‐Phenanthroline (Phen) is presented as a bidentate chelating ligand to effectively target and passivate these detrimental surface defects. By strategically designing a Phenanthroline derivative, dipyrido[3,2‐a:2′,3′‐c]phenazin‐11‐amine (Phen‐derivative) with optimized redox potentials, dual functionality: efficient defect passivation and hole transport is achieved. X‐ray photoelectron spectroscopy (XPS) confirms the superior binding capability of the Phen‐derivative due to chelation. This strong interaction facilitates efficient and ultrafast charge transfer from PNCs and the formation of a long‐lived charge‐separated state, as evidenced by sustained bleaching in transient absorption spectra. A metal‐dipyrido[3,2‐a:2′,3′‐c]phenazin‐11‐amine complex (Ir‐complex) derived from dipyrido[3,2‐a:2′,3′‐c]phenazin‐11‐amine, but lacking a chelation site, hinders desired hole transfer despite similar charge transfer energetics. This work emphasizes the critical role of chelation‐mediated interfacial interactions and energy alignment in designing effective charge shuttle molecules and unlocking the potential of lead‐chelating hole transporters for next‐generation light‐harvesting technologies.
Toward Continuous Electrochemical Synthesis of Ferrate
Authors: Kupec Robin , Plischka Wenzel , Duman Ediz , Schneider Selina , Weidlich Claudia , Keller Robert , Wessling Matthias , Stöckl Markus 
Published: October 2024

AbstractFerrate (Fe(VI)) is of great interest in energy storage solutions, organic synthesis, and wastewater treatment due to its decent oxidation potential and non‐toxic end‐product formation, making it a green oxidizer. The electrochemical generation of ferrate in NaOH at current densities of j ≥ 100 mA cm−2 is presented using low‐cost sacrificial iron anodes, mild steel, and spheroidal graphite cast iron (ductile iron). Under optimized reaction parameters with 40 wt.% (14 m) NaOH and a ZrO2‐based diaphragm, spheroidal graphite cast iron shows no signs of passivation in 5 h experiments even at j = 150 mA cm−2. The results are used in a novel electrolysis cell with a combined geometric anode surface area of 230 cm2, incorporated in a mini‐plant suitable for continuous synthesis. This setup produces a peak ferrate concentration of 10.1 g L−1 (84 mm) after 5 h in 1.6 L anolyte volume, resulting in a total ferrate mass of 16.2 g. Optimal electrolysis temperatures are between 35 and 50 °C. The highest current efficiency is 63.0%, and the lowest specific energy consumption is 9.2 kWh kg−1 ferrate. The presented work is an essential step toward the continuous electrochemical synthesis of ferrate using sacrificial anodes under basic conditions.
The Dawning Era of Anticancer Nanomedicines: From First Principles to Application of Silk Nanoparticles
Authors: Matthew Saphia A. L. , Seib F. Philipp 
Published: October 2024

AbstractThis review introduces nanomedicines and medical silks by addressing seminal and recent research within these fields. First, the successes of nanoparticles in improving the safety profiles and pharmacokinetic–pharmacodynamic properties are explored but also the concepts of threshold dosing and targeting of tumor‐associated macrophages. Current barriers to systemic delivery of nanomedicines are detailed and methods to overcome these barriers and increase tumor targeting are evaluated, namely: tuning the nanomedicine size and surface charge for enhanced tumor accumulation and penetration; non‐spherical nanomedicine morphologies for macrophage evasion and targeted delivery to endothelial cells; and, surface functionalization for stealth coatings and targeting receptor‐mediated endocytosis. The advantages of using silk as a nanomedicine with reference to its structure, composition, biological performance, and formulation are discussed. While batch methods for silk processing enable the formation of nano to microparticles, continuous technology can overcome bottlenecks of the deployed engineering methods such as low throughput and poor reproducibility. Finally, the chemical modification of silk using homogeneous and heterogenous chemistries is assessed within the nanomedicine context. Overall, this review covers silk nanomedicines from first principles to carrier design and on to areas of future development.
The Effects of War‐Related Stress on Human Development: Differences in Body Proportions of Polish Women Born Before and During World War II
Authors: Koníková Linda , Liczbińska Grażyna , Králík Miroslav 
Published: October 2024

ABSTRACTObjectivesThis study aims to explore the lasting effects of stress experienced by pregnant women during World War II (WWII) on body and head measurements of their adult daughters.MethodsThe research sample consists of 336 female university students born in Poland between 1925 and 1951. The data include body measurements and socioeconomic information (parental occupation and number of siblings) acquired from questionnaires collected between the 1950s and 1970s. Student's t‐test, Mann–Whitney test and Analysis of Variance were used to analyze differences in body measurements between groups of women born before and during the war, as well as the possible influences of socioeconomic variables.ResultsThe mean measurements of body height, symphysion height, and waist circumference were lower in women conceived and born during the war compared to those born in the pre‐war period. In contrast, the mean measurements of biacromial (shoulder) width, trunk length, and three head dimensions were higher in women conceived and born during the war. Additionally, the number of siblings appeared to be a significant factor that may have influenced the body measurements of women in both groups. For instance, a higher number of living siblings, particularly sisters, was associated with reduced body dimensions, such as body height and waist circumference, while a greater number of deceased siblings was linked to an increase in certain body dimensions.ConclusionThe results suggest that war‐related prenatal conditions may have influenced the postnatal growth and development of women conceived and born during the war. Notably, the direction of these changes varied, which indicates that the growth response to the war‐related conditions was a complex adaptation, reflecting both positive and negative changes in different body parts, rather than a uniform pattern of growth suppression.
Recurrent Increased Nuchal Translucency Led to the Identification of Novel NUP107 Variants
Authors: Atallah Isis , Cisarova Katarina , Guenot Cécile , Dubruc Estelle , Superti‐Furga Andrea , Campos‐Xavier Belinda , Unger Sheila 
Published: October 2024

ABSTRACTFive percent of fetuses presents increased fetal nuchal translucency. It is a well‐known marker for aneuploidy (T21, Turner syndrome) and a variety of monogenic syndromes such as Noonan syndrome and certain skeletal dysplasias, as well as associated with structural malformations such as congenital heart disease. Current diagnostic algorithms for increased nuchal translucency include a rapid test for aneuploidy (fluorescence in situ hybridization, FISH, or quantitative PCR), a cytogenetic analysis (karyotype or chromosomal microarray, CMA) followed by or concurrent with targeted gene panel analysis for RASopathies/Noonan syndrome. Some centers now propose whole exome sequencing as an adjunct, but its usefulness in isolated increased nuchal translucency remains debated. We describe the recurrence of apparently isolated increased nuchal translucency in 2 euploid fetuses. Whole genome sequencing identified two compound heterozygous variants in the NUP107 gene in both fetuses. Biallelic variants in NUP107 are responsible for severe steroid‐resistant nephrotic syndrome, either isolated or syndromic (Galloway‐Mowat syndrome); in addition to the renal phenotype, the latter also includes intellectual deficiency and dysmorphic features. Pregnancy termination made it impossible to assess whether the NUP107 variants found would have resulted in isolated or syndromic steroid‐resistant nephrotic syndrome. However, identifying the responsible gene improved the accuracy of the genetic counseling. This family is an example of the added benefit of introducing WES/WGS in standardized protocols for prenatal diagnosis of euploid fetuses in “isolated” increased nuchal translucency.
C(sp3)−F Bond Activation by Lewis Base‐Boryl Radicals via Concerted Electron‐Fluoride Transfer
Authors: Guo Xueying , Zhang Yuchen , Lai Xiaoyu , Pang Yubing , Xue Xiao‐Song 
Published: October 2024

AbstractSelective C−F bond activation through a radical pathway in the presence of multiple C−H bonds remains a formidable challenge, owing to the extraordinarily strong bond strength of the C−F bond. By the aid of density functional theory calculations, we disclose an innovative concerted electron‐fluoride transfer mechanism, harnessing the unique reactivity of Lewis base‐boryl radicals to selectively activate the resilient C−F bonds in fluoroalkanes. This enables the direct abstraction of a fluorine atom and subsequent generation of an alkyl radical, thus expanding the boundaries of halogen atom transfer reactions.
Selective Deuteration and Tritiation of Pharmaceutically Relevant Sulfoximines
Authors: Smith Blair I. P. , Knight Nathan M. L. , Knox Gary J. , Lindsay David M. , Paterson Laura C. , Bergare Jonas , Elmore Charles S. , Bragg Ryan A. , Kerr William J. 
Published: October 2024

AbstractPharmaceutical‐aligned research endeavors continue to diversify, including via the installation of new chemical functionality and non‐classical bioisosteres within drug design. With this, an equally high demand emerges for the direct installation of isotopic substituents into these scaffolds within drug discovery programmes, as isotopologues are essential for the elucidation of the biological efficacy and metabolic fate of the active pharmaceutical ingredient (API). The sulfoximine functional group has recently become established as a high‐value unit in this context; however, general and effective methods for the synthesis of deuterium (2H, D) and tritium (3H, T) labelled analogues have remained elusive. Herein, we disclose the design and development of the first iridium‐catalyzed sulfoximine‐directed hydrogen isotope exchange (HIE) systems that permit the site‐selective integration of a distinguishing atomic label at aromatic C(sp2)−H and more challenging C(sp3)−H moieties. Moreover, we exemplify the broad applicability of these methods within a spectrum of molecular settings, as well as in the late‐stage generation of isotopically‐enriched complex bioactive architectures.
Separating urban heat island circulation and convective cells through dynamic mode decomposition
Authors: Sato Takuto , Hino Hideitsu , Kusaka Hiroyuki 
Published: October 2024

AbstractThis study applies dynamic mode decomposition (DMD) to three‐dimensional simulation results of urban heat island circulation (UHIC, which is horizontal circulation) and thermals (vertical convections). The aim of this study is to revisit how these phenomena coexist based on the characteristics of temporal changes in the flow field. We used DMD to obtain the dominant spatial patterns and information on temporal changes. One of the modes of horizontal wind, which does not change temporally (no oscillation or amplification), exhibits a spatial UHIC pattern. The unique feature of this UHIC mode is that there are small‐scale striated structures (150–200 m) and large‐scale convergence. The other modes are time‐varying (oscillating and decaying) and represent smaller spatial‐scale phenomena (150–250 m), such as thermals. The frequency of each mode takes various values, some of which are lower than the lifetime of thermals in accordance with the Deardorff convective scale (~10 min). These low‐frequency modes showed striated structures similar to that observed in the UHIC modes. These results suggest that UHIC and thermals deform each other through components that vary in long temporal scales.
Parental age at birth, telomere length, and autism spectrum disorders in the UK Biobank cohort
Authors: Ye Qiaofeng , Apsley Abner T. , Hastings Waylon J. , Etzel Laura , Newschaffer Craig , Shalev Idan 
Published: October 2024

AbstractOlder parental age at birth is associated with increased risk of autism spectrum disorders (ASD) in offspring. Independently, shorter telomere length (TL) has also been shown to be associated with ASD in children. However, older paternal age at birth, with or without controlling for maternal age, has been associated with longer TL, a seemingly contradictory finding. Here, we conducted a retrospective cohort study among participants in the UK Biobank to disentangle associations between leukocyte TL and ASD status in adults, and the potential moderation by parental age on adult offspring's TL. Participants with ASD diagnosis (N = 87) with a mean age of 46.0 (SD 4.4) years were matched to participants without ASD diagnosis (N = 870) based on age, sex, ethnicity, education, household income, and assessment center. No statistically significant differences were seen in TL between participants with and without ASD when parental age at birth was not considered. However, there was a significant interaction between ASD diagnostic status and parental age on participants' TL, such that older paternal or maternal age at birth was more strongly associated with longer TL in participants with ASD. This study suggests that the shortened TL observed in children with ASD in previous research may partially depend on parental age at birth. Future studies tracking TL attrition before ASD diagnosis are warranted to depict temporal associations and the interacting effects of parental age at birth and ASD status on TL across the lifespan.