bluuebunny/crossref_metadata_2025_split huggingface dataset:
Potential Predictor of Epigenetic Age Acceleration in Men: 2D:4D Finger Pattern
Authors: Pruszkowska‐Przybylska Paulina , Noroozi Rezvan , Rudnicka Joanna , Pisarek Aleksandra , Wronka Iwona , Kobus Magdalena , Wysocka Bożena , Ossowski Andrzej , Spólnicka Magdalena , Wiktorska Joanna , Iljin Aleksandra , Pośpiech Ewelina , Branicki Wojciech , Sitek Aneta 
Published: September 2024

ABSTRACTObjectivesSecond to fourth digit ratio is widely known indicator of prenatal sex hormones proportion. Higher prenatal androgenization results in longer fourth finger and lower 2D:4D index. The aim of this study was to determine whether the 2D:4D digit ratio is associated with DNA methylation (DNAm) age dependently on sex.Material and MethodsThe study included 182 adults (106 females and 76 males) with a mean age of 51.5 ± 13 years. The investigation consisted of three main parts: a survey, anthropometric dimensions measurements (fingers length) and methylome analysis using collected blood samples. Genome‐wide methylation was analyzed using EPIC microarray technology. Epigenetic age and epigenetic age acceleration were calculated using several widely applied algorithms.ResultsMales with the female left hand pattern had more accelerated epigenetic age than those with the male pattern as calculated with PhenoAge and DNAmTL clocks.ConclusionsFinger female pattern 2D:4D above or equal to 1 in males is associated with epigenetic age acceleration, indicating that prenatal exposure to estrogens in males may be related to aging process in the later ontogenesis.
Hydroxylierte Aryl‐Tetrazine als bioorthogonale Scheren zur systematischen Spaltung von trans‐Cyclooctenen
Authors: Wilkovitsch Martin , Kuba Walter , Keppel Patrick , Sohr Barbara , Löffler Andreas , Kronister Stefan , del Castillo Andres Fernandez , Goldeck Marion , Dzijak Rastislav , Rahm Michal , Vrabel Milan , Svatunek Dennis , Carlson Jonathan C. T. , Mikula Hannes 
Published: September 2024

AbstractBioorthogonale Bindungsspaltungsreaktionen haben sich als leistungsstarke Werkzeuge für die präzise zeitliche und räumliche Kontrolle (bio)molekularer Funktionen in biologischen Systemen etabliert. Unter diesen sticht die durch Click‐Reaktion mit Tetrazinen ausgelöste Eliminierung spaltbarer trans‐Cyclooctene (Click‐Spaltung, engl. Click‐to‐Release) aufgrund hoher Reaktionsraten sowie ihrer Vielseitigkeit und Selektivität hervor. Trotz des zunehmenden Verständnisses der zugrunde liegenden Mechanismen ist die Anwendung dieser Reaktion aufgrund unzureichender Eigenschaften (Click‐Kinetik, Spaltungskinetik, Spaltungseffizienz) der bestehenden Reagenzien eingeschränkt. Eine effiziente Spaltung war bisher auf Tetrazine mit vergleichsweise niedriger Click‐Reaktivität beschränkt, während hochreaktive Aryl‐Tetrazine nur eine minimale Spaltung erzielen. Durch die Einführung von Hydroxylgruppen an Phenyl‐ und Pyridyl‐Tetrazinen ist es uns gelungen, eine neue Klasse von ′bioorthogonalen Scheren′ mit hoher chemischer Leistungsfähigkeit zu entwickeln. Diese Hydroxyaryl‐Tetrazine erreichen eine nahezu quantitative Spaltung nach beschleunigter Click‐Reaktion mit unterschiedlichen spaltbaren trans‐Cyclooctenen, was durch die Click‐ausgelöste Aktivierung einer Wirkstoffvorstufe (engl. Prodrug), die intramitochondriale Spaltung einer fluorogenen Sonde in lebenden Zellen und die schnelle intrazelluläre bioorthogonale Spaltung eines Ligand‐Farbstoff‐Konjugats demonstriert wird.
Anodic Commodity Polymer Recycling: The Merger of Iron‐Electrocatalysis with Scalable Hydrogen Evolution Reaction
Authors: Hourtoule Maxime , Trienes Sven , Ackermann Lutz 
Published: September 2024

AbstractPlastics are omnipresent in our everyday life, and accumulation of post‐consumer plastic waste in our environment represents a major societal challenge. Hence, methods for plastic waste recycling are in high demand for a future circular economy. Specifically, the degradation of post‐consumer polymers towards value‐added small molecules constitutes a sustainable strategy for a carbon circular economy. Despite of recent advances, chemical polymer degradation continues to be largely limited to chemical redox agents or low energy efficiency in photochemical processes. We herein report a powerful iron‐catalyzed degradation of high molecular weight polystyrenes through electrochemistry to efficiently deliver monomeric benzoyl products. The robustness of the ferraelectrocatalysis was mirrored by the degradation of various real‐life post‐consumer plastics, also on gram scale. The cathodic half reaction was largely represented by the hydrogen evolution reaction (HER). The scalable electro‐polymer degradation could be solely fueled by solar energy through a commercially available solar panel, indicating an outstanding potential for a decentralized green hydrogen economy.
D‐Band‐Center‐Engineered Platinum‐Based Nanozyme for Personalized Pharmacovigilance
Authors: Yu Zhichao , Xu Zhenjin , Zeng Ruijin , Xu Man , Zheng Haisu , Huang Da , Weng Zuquan , Tang Dianping 
Published: September 2024

AbstractA high‐efficiency PtZnCd nanozyme was screened with density functional theory (DFT) and unique d‐orbital coupling features for sensitive enrichment and real‐time analysis of CO‐releasing molecule‐3 (CORM‐3). Multicatalytic sites in the nanozyme showed a high reactivity of up to 72.89 min−1 for peroxidase (POD)‐like reaction, which was 2.2, 4.07, and 14.67 times higher than that of PtZn (32.67 min−1), PtCd (17.89 min−1), and Pt (4.97 min−1), respectively. Normalization of the catalytic sites showed that the catalytic capacity of the active site in PtZnCd was 2.962 U μmol−1, which was four times higher than that of a pure Pt site (0.733 U μmol−1). DFT calculations showed that improved d‐orbital coupling between different metals reduces the position of the center of the shifted whole d‐band relative to the Fermi energy level, thereby increasing the contribution of the sites to the electron transfer from the active center, accompanied by enhanced substrate adsorption and intermediate conversion in the catalytic process. The potential adsorption principle and color development mechanism of CORM‐3 on PtZnCd were determined, and its practical application in drug metabolism was validated in vitro and in zebrafish and mice models, demonstrating that transition‐metal doping effectively engineers high‐performance nanozymes and optimizes artificial enzymes.
On the suitability of the α‐relaxation as novel trigger for a shape memory polymer
Authors: Maricanov Michail , Becker Roman , Jerusalem Robert David Ludwig , Tiller Joerg Christian , Katzenberg Frank 
Published: September 2024

AbstractShape memory polymers typically utilize the glass transition or melting temperature to switch from one shape to another. The goal of this work is to check if the α‐relaxation, which is attributed to the migration of chains through lamellar crystals, can be utilized as novel switch for any crosslinkable semi‐crystalline thermoplastic. Using cross‐linked low‐density polyethylene (x‐LDPE) as an example, it is shown that the α‐relaxation is indeed suitable as switch, when the polymer is crystallized under strain to an intermediate shape. It is demonstrated that post‐stretching at a temperature between the α‐relaxation and the melting temperature, followed by subsequent cooling to room‐temperature switches x‐LDPE from the intermediate to a temporary shape and that reheating to this temperature initiates the retraction back to the intermediate shape. Switching between intermediate and temporary shapes is shown to be accompanied by a reversible change in morphology.
Sex heterogeneity of dynamic brain activity and functional connectivity in autism spectrum disorder
Authors: Lu Huibin , Dong Qi , Gao Le , Xue Zaifa , Niu Xiaoxia , Zhou Rongjuan , Guo Xiaonan 
Published: September 2024

AbstractSex heterogeneity has been frequently reported in autism spectrum disorders (ASD) and has been linked to static differences in brain function. However, given the complexity of ASD and diagnosis‐by‐sex interactions, dynamic characteristics of brain activity and functional connectivity may provide important information for distinguishing ASD phenotypes between females and males. The aim of this study was to explore sex heterogeneity of functional networks in the ASD brain from a dynamic perspective. Resting‐state functional magnetic resonance imaging data from the Autism Brain Imaging Data Exchange database were analyzed in 128 ASD subjects (64 males/64 females) and 128 typically developing control (TC) subjects (64 males/64 females). A sliding‐window approach was adopted for the estimation of dynamic amplitude of low‐frequency fluctuation (dALFF) and dynamic functional connectivity (dFC) to characterize time‐varying brain activity and functional connectivity respectively. We then examined the sex‐related changes in ASD using two‐way analysis of variance. Significant diagnosis‐by‐sex interaction effects were identified in the left anterior cingulate cortex/medial prefrontal cortex (ACC/mPFC) and left precuneus in the dALFF analysis. Furthermore, there were significant diagnosis‐by‐sex interaction effects of dFC variance between the left ACC/mPFC and right ACC, left postcentral gyrus, left precuneus, right middle temporal gyrus and left inferior frontal gyrus, triangular part. These findings reveal the sex heterogeneity in brain activity and functional connectivity in ASD from a dynamic perspective, and provide new evidence for further exploring sex heterogeneity in ASD.
Trace‐Amount of Water as An Electrolyte Additive for Sodium Metal Electrode
Authors: Trinh Long Toan , Vo Thuan Ngoc , Kim Il Tae 
Published: September 2024

AbstractThe high reactivity of water toward Na metal has raised a concern about keeping the electrolytes extra‐dried. In this work, changes in water concentration in electrolytes (with and without fluoroethylene carbonate) show changes in overpotential and the surface chemistry of Na electrodes. In a symmetric cell test, the cell with pristine electrolyte (1 M NaClO4 in ethylene carbonate:propylene carbonate) sustained only 22 cycles before reaching the safety limit (5 V) at 1 mA cm−2. Meanwhile, controlling the water content (40 ppm) extended the cell's life by 3.5 times. In fluoroethylene‐carbonate‐containing electrolytes, the optimized water concentration (40 ppm) gave the minimum overpotential (12 mV) after 170 cycles. Ex situ X‐ray photoemission spectroscopy showed that water hydrolyzed fluoroethylene carbonate, which changed the Na electrode's surface chemistry. The appropriate amount of product (NaF) stabilized the electrodes’ surfaces. Electrical impedance spectroscopy showed that the controlled traces amount of water (40 ppm) always gave the minimum values for resistances. For the pristine electrolytes, the resistances attributed to the charge‐transfer process and the solid‐electrolyte interface layer increased 51 times (from 45 Ω–2290 Ω) after cycling. Meanwhile, for the optimized sample, the resistances remarkably decreased by 93 % (from 264 Ω–19 Ω) after cycling.
SIL‐IS LC–ESI–MS/MS method for simultaneous quick detection of amoxicillin and clavulanic acid in human plasma: Development, validation and its application to a pharmacokinetics study
Authors: Wu Jianbang , Wang Changmao , Zhang Rong , Du Pengfei , Wang Yaqin , Wu Ping , Chen Xinyan , Huang Yunzhe , Jia Yuanwei , Shen Jie 
Published: September 2024

AbstractA liquid chromatography electrospray ionization tandem mass spectrometry method with amoxicillin‐d4 as the stable isotope‐labeled internal standard for simultaneous quick detection of amoxicillin and clavulanic acid in human plasma was developed and validated. Chromatographic separations were performed on a Hedera ODS‐2 column (2.1 × 150 mm, 5 μm). The mobile phases for gradient elution were aqueous solution containing 0.2% acetic acid (AA) (mobile phase A) together with organic phase solution (acetonitrile and methanol mixed solution, mobile phase B). Mass spectrometry was performed using negative electrospray ionization in multiple reaction monitoring mode. The target fragment ion pairs of amoxicillin, clavulanic acid and amoxicillin‐d4 were m/z 364.1 → 223.1, 198.1 → 135.9 and 368.1 → 227.1, respectively. The linear ranges of this method were 40–5,000 ng/ml for amoxicillin and 30–2,500 ng/ml for clavulanic acid, with coefficient of determination > 0.9900. This method validation included selectivity, standard curve, lower limit of quantitation, accuracy, precision, recovery, matrix effect (hemolytic matrix and hyperlipidemic matrix), carryover, stability, dilution reliability and incurred sample reanalysis study. A successful application of this method was realized in a pharmacokinetic study after administration of amoxicillin–clavulanic acid potassium granules.
Influence of Essential Oil Composition on Antioxidant and Antibacterial Activities of Three Cultivars of Cymbopogon Flexuosus: In Vitro and In Silico Study
Authors: Raghuvanshi Nikita , Gupta Bhanushree , Joshi Veenu , Bisht Surendra Singh , Manikpuri Madhu , Shukla Kamlesh , Khokhar Dharmendra , Singh Namrata , Ghosh Kallol Kumar 
Published: September 2024

AbstractThe present study investigates and compares the chemical composition, antioxidant, and antibacterial properties of lemongrass essential oils (LEOs) extracted from fresh leaves of three cultivars of C. flexuosus: Krishna (CF‐KA), Cauvery (CF‐CA), and Nima (CF‐NI), grown in Chhattisgarh plains. Analysis through gas chromatography techniques revealed that citral content was highest in CF‐NI (79.82±1.00 %), followed by CF‐KA (69.75±2.70 %) and CF‐CA (54.75±1.22 %). In vitro antioxidant experiments demonstrated that CF‐CA had better scavenging capacity in DPPH (SC50=164.55±9.35 μg/mL) and ABTS (SC50=4.76±0.57 GEAC/g) free radical scavenging assays. The in vitro antibacterial experiments against Staphylococcus aureus (MTCC3160) and Escherichia coli (MTCC1687) demonstrated CF‐NI's enhanced antibacterial efficacy with significant inhibition zones and low MIC values. In silico molecular docking results revealed that LEO compounds like caryophyllene oxide, humulene epoxide, β‐caryophyllene etc. have better binding affinities towards targeted protein molecules responsible for bacterial cell mechanisms and production of reactive oxygen species (ROS) compared to their native ligands. Variations in biological activities among cultivars were potentially linked to the proportion of phytoconstituents in their chemical composition.
Biomedical Perspectives of Citronellal: Biological Activities, Toxicological Profile and Molecular Mechanisms
Authors: Rokonuzzman Md. , Bhuia Md. Shimul , Al‐Qaaneh Ayman M. , El‐Nashar Heba A. S. , Islam Tawhida , Chowdhury Raihan , Hasan Shanto Hasibul , Al Hasan Md. Sakib , El‐Shazly Mohamed , Torequl Islam Muhammad 
Published: September 2024

AbstractCitronellal, known as rhodinal, is a naturally occurring monoterpenoid aldehyde distinctly found in the distilled oils of Cymbopogon species including C. marginatus, C. citratus, C. validus and C. winterianus family Gramineae. It is also obtained from eucalyptus, mentha, melissa, cinnamomum and allium. It is traditionally used in air freshener, cleaner, floor polishing, deodorants, moisturizing hand/body lotion, perfumes, and adhesives due to its lemon characteristic fragrance and therapeutic benefits. This study aimed to summarize the pharmacological activities and underlying mechanisms of citronellal against different diseases, as well as its toxicological profile. The data was collected from various reliable and authentic literatures by searching different academic search engines, including PubMed, Springer Link, Scopus, Wiley Online, Web of Science, ScienceDirect, and Google Scholar. The findings imply that citronellal demonstrated several pharmacological effects in various preclinical and pharmacological experimental systems. The results indicated that citronellal demonstrated antioxidant, anti‐inflammatory, antibacterial, antifungal, anthelminthic, and anticancer effects with beneficial effects in neurological and cardiovascular diseases. Our findings also indicated the toxic level of the phytochemical. In conclusion, it has been proposed that citronellal has the capability to serve as a hopeful therapeutic agent, so further extensive clinical research is necessary to develop it as a reliable drug.
Lactate‐mitochondrial crosstalk: A new direction in the treatment of sepsis‐induced acute kidney injury
Authors: Wu Zhixiong , Liu Wei Qing , Tang Liang , Yuan Qiong , Li Yaling , Hu Hongyu , Luo Xin , Ouyang Fan 
Published: September 2024

AbstractIndependent risk factors for sepsis‐associated acute kidney injury (S‐AKI) patients include elevated lactate levels, but the specific mechanism remains unclear. Recently, An et al. discovered that excessive acetylation and inactivation of PDHA1 lead to overproduction of lactate, resulting in mitochondrial fragmentation, ATP depletion, excessive mtROS production, and mitochondrial apoptosis, thereby exacerbating AKI in sepsis. Therefore, understanding the pathophysiological processes of mitochondrial function and lactate generation in SAKI is essential and can aid in the development of novel therapeutic strategies. This review elucidates the pathological mechanisms of mitochondrial autophagy and dynamics in AKI. We also discuss the sources of lactate in SAKI and some consequences of lactonization, which may provide new strategies for improving renal injury and delaying the progression of these diseases.
Corn Husk Derived Activated Carbon/Siloxene Composite Electrodes based Symmetric Supercapacitor with High Energy Density and Wide Temperature Tolerance
Authors: Reddygunta Kiran Kumar Reddy , Šiller Lidija , Ivaturi Aruna 
Published: September 2024

AbstractIn the present work, novel composite material comprising of corn husk derived activated carbon and siloxene nanosheets have been explored as new class of multicomponent electrode material for fabricating high energy density supercapacitors with wide temperature tolerance. The activated carbon obtained from corn husk (ACH–900) with high surface area and pore volume acts as an ideal framework for hosting siloxene nanosheets (S) that allows the overall siloxene–corn husk derived activated carbon (ACH–900/S) composite to deliver excellent electrochemical performance. The as‐prepared ACH–900/S composite electrode exhibited a high specific capacitance of 415 F g−1 at 0.25 A g−1 and retained 73.4 % of its initial capacitance even at a high current density of 30 A g−1 in 1 M Na2SO4 electrolyte. In addition, the symmetric supercapacitor assembled with “acetonitrile/water‐in‐salt (AWIS)” electrolyte exhibited an energy density of 57.2 W h kg−1 at 338 W kg−1 with a cyclic stability of 92.8 % after 10000 cycles at 5 A g−1 current density. Besides, the fabricated ACH–900/S supercapacitor can operate over wide temperature range from 0 to 100 °C. This work opens up new frontiers to develop low‐cost safe supercapacitors with wide temperature tolerance and excellent electrochemical performance.
Examining the relationship between intellectual capital and solvency risk: The moderating effect of the board of directors
Authors: Lee Chen‐Ying 
Published: September 2024

AbstractThis study explores the impact of intellectual capital (IC) on solvency risk and examines the moderating effect of the board of directors. This study used fixed‐effect analysis and hierarchical regression models to test the research hypotheses. The results reveal that IC composition significantly impacts insurers' solvency risk. Additionally, independent directors of life insurers have a positive impact on solvency, and non‐life insurers' board size has a positive impact on solvency. Moreover, we find that the board of directors has a moderating effect on IC and solvency risks in life insurance. Fundamentally, the results provide valuable implications for insurers in improving their solvency and supervision bases for the competent authorities.
Effect of pre‐aging intermediate layers on the performance of multi‐layer organic photovoltaic devices
Authors: Su Emma , Tetreault Adam R. , Zheng Lili , Riahinezhad Marzieh , Lopez‐Carreon Itzel , Esmizadeh Elnaz , Collins Peter , Bender Timothy P. 
Published: September 2024

AbstractUnderstanding the degradation behaviour of organic photovoltaic (OPV) devices is an essential part to improve their stability prior to massive production. Accelerated aging can help to assess their stability and study the underlying degradation mechanisms of OPVs. Most studies focus on individual layers or a full device, and little is known about the role a pre‐aged layer stack plays in the performance of a device. Herein, we report the investigation of the effects of pre‐aging of multiple layers on the performance of OPVs. Instead of aging a single layer or an entire stack (sequential layers: ITO/PEDOT:PSS/MoOx/F‐BsubPc/C60/BCP/Ag), our process involved aging the intermediate layer stack for 24 h after depositing a specific layer before continuing with the subsequent depositions to fully fabricate/manufacture OPVs. Aging was conducted under four controlled conditions considering parameters including moisture, gas type, and temperature in the absence of light according to the International Summit on Organic Photovoltaic Stability (ISOS) protocols. Short of PEDOT:PSS we found that multiple layers, being subjected to the parameters, resulted in a decline in OPV device performance after being fully manufactured. Device performance is evaluated based on short‐circuit current density (Jsc), power conversion efficiency (PCE), and open‐circuit voltage (Voc). Our analysis provides insight into the degradation mechanisms of layered/planar OPV structures and offers strategic guidance for optimizing fabrication processes, particularly during the layer deposition transitions. We recommend that during OPV vacuum deposited fabrication, intermediate layers should be protected from moisture, O2, high temperature, and even inert gases, preferably in a low‐vacuum environment.
Biomechanical design of a new proximal humerus fracture plate using alternative materials
Authors: Islam Sabrina , Dembowski Mitchell , Schemitsch Emil H. , Bougherara Habiba , Bagheri Z. Shaghayegh , Zdero Radovan 
Published: September 2024

AbstractComminuted proximal humerus fractures are often repaired by metal plates, but potentially still experience bone refracture, bone “stress shielding,” screw perforation, delayed healing, and so forth. This “proof of principle” investigation is the initial step towards the design of a new plate using alternative materials to address some of these problems. Finite element modeling was used to create design graphs for bone stress, plate stress, screw stress, and interfragmentary motion via three different fixations (no, 1, or 2 “kickstand” [KS] screws across the fracture) using a wide range of plate elastic moduli (EP = 5–200 GPa). Well‐known design optimization criteria were used that could minimize bone, plate, and screw failure (i.e., peak stress < ultimate tensile strength), reduce bone “stress shielding” (i.e., bone stress under the new plate ≥ bone stress for an intact humerus, titanium plate, and/or steel plate “control”), and encourage callus growth leading to early healing (i.e., 0.2 mm ≤ axial interfragmentary motion ≤ 1 mm; shear/axial interfragmentary motion ratio <1.6). The findings suggest that a potentially optimal configuration involves the new plate being manufactured from a material with an EP of 5–41.5 GPa with 1 KS screw; but, using no KS screws would cause immediate bone fracture and 2 KS screws would almost certainly lead to delayed healing. A prototype plate might be fabricated using alternative materials suggested for orthopedics and other industries, like fiber‐metal laminates, fiber‐reinforced polymers, metal foams, pure polymers, shape memory alloys, or 3D‐printed porous metals.