bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chemical Constituents of the Deep‐Sea‐Derived Penicillium citrinum W22 and Their Ferroptosis Inhibitory Activity
Authors: Zou Zheng‐Biao , Ma Yan‐Lin , Li Yan , Nie Shan‐Shan , Li You , Xie Chun‐Lan , Li Li‐Sheng , Yang Xian‐Wen 
Published: January 2025

ABSTRACTOne new monomeric citrinin analog (1) and 42 known compounds (2–43) were isolated from Penicillium citrinum W22. The structure of 1 was determined by detailed analysis of the 1D and 2D nuclear magnetic resonance (NMR), HRESIMS, and time‐dependent density functional theory (TD‐DFT)‐based electronic circular dichroism (ECD) calculation. Penicitrinol A (2) and methyl 2‐(2‐acetyl‐3,5‐dihydroxy‐4,6‐dimethylphenyl) acetate (11) significantly inhibited renin‐angiotensin system‐selective lethal 3 (RSL3)‐induced ferroptosis with half maximal effective concentration (EC50) values of 1.6 and 34.0 µM, respectively.
Unilateral and Bilateral Disulfurating Reagents for the Synthesis of Unsymmetrical Polysulfides
Authors: Yu Qing , Jiang Xuefeng 
Published: January 2025

AbstractPolysulfides play an essential role across various fields, including life sciences, pharmaceuticals, food science, and materials science. However, the controlled sequential installation of groups at both ends of an S−S motif poses enormous challenges due to the reversible nature of the covalent S−S bond. Utilizing unique disulfide reagents presents one of the most straightforward approaches for constructing diverse polysulfides. This concept highlights the initiatives and advancements in polysulfide synthesis facilitated by unilateral or bilateral disulfide reagents. Furthermore, ongoing research is focused on recently reported methodologies for synthesizing unsymmetrical disulfides.
Me2Se and Me2Te: Their Structures and Synergistic Effects of Halogen/Chalcogen Bonding with C6F5Br and C6F5I
Authors: Bujak Maciej , Stammler Hans‐Georg , Mitzel Norbert W. 
Published: January 2025

AbstractThis work combines halogen and chalcogen bonding. Short, polarity directed C−X⋅⋅⋅Ch (X=Br or I, Ch=Se or Te) contacts were prepared by in situ low‐temperature cocrystallization of liquid mixtures of neutral pentafluorohalogenobenzenes C6F5X and dimethyl chalcogenides Me2Ch. Solid‐state structures of Me2Se and Me2Te were determined 150 and 125 years after their first description. Significant C−Ch⋅⋅⋅Ch contacts make Me2Se dimeric and Me2Te polymeric. The cocrystals comprise C6F5X⋅⋅⋅Me2Ch⋅⋅⋅XC6F5 aggregates, except the combination X/Ch=I/Te which shows polymeric C6F5I⋅⋅⋅Me2Te⋅⋅⋅TeMe2⋅⋅⋅IC6F5 aggregation. The observed C−X⋅⋅⋅Te interactions are the shortest of this type, and the C−I⋅⋅⋅Ch contacts are shorter than the corresponding C−Br⋅⋅⋅Ch interactions. Heteromolecular C−X⋅⋅⋅Ch contacts are accompanied by F⋅⋅⋅H/F and X⋅⋅⋅H contacts in the cocrystals. The analysis of packing and contacts in all (co)crystals was complemented by computational studies. They both show that short interactions can be designed and engineered with reasonable predictability.
All‐in‐One Portable Electrochemical Strips for Drug Release, Delivery and Monitoring
Authors: Singh Sima , Khater Mohga , Raucci Ada , Catanzano Ovidio , Quaglia Fabiana , Cinti Stefano 
Published: January 2025

AbstractHerein we introduce a novel concept: a sustainable, integrated approach to digital healthcare, utilizing a portable electrochemical strip to trigger therapeutic species release and assess their occurrence. For the first time, a nanomodified, screen‐printed strip electrochemically triggers the release of metal ions, delivers them to the target site in combination with hydrogel and monitors them using the same device. To demonstrate the novel concept, copper ions have been considered a model species to be delivered and monitored on the skin. The integration of electroanalysis, drug delivery, miniaturization, and material science underscores the potential for a cost‐effective breakthrough in personalized therapies, paving the way for numerous applications and addressing the current limitations of conventional technologies, such as time, complexity, and equipment.
Hemodynamic Evaluation of Intra‐Aortic Dual‐Balloon Pump Based on Fluid–Structure Interaction
Authors: Ma Hongchao , Wang Yuhan , Gao Bin , Li Shu , Song Zhiming , Chang Yu , Zhang Ran 
Published: January 2025

ABSTRACTThe intra‐aortic balloon pump (IABP) is a widely‐used mechanical circulatory support device that enhances hemodynamics in patients with heart conditions. Although the IABP is a common clinical tool, its effectiveness in enhancing outcomes for patients with acute myocardial infarction and cardiogenic shock remains disputed. This study aimed to assess the effectiveness of intra‐aortic dual‐balloon pump (IADBP) and its impact on aortic hemodynamics compared with an IABP. Three‐dimensional finite element models were constructed for the aorta, IABP, and IADBP, followed by numerical simulation using the fluid–structure coupling (FSI) method. Three simulations were conducted: Heart failure patients without assistive devices (Case A), those with IABP (Case B), and those with IADBP (Case C). The study assessed the IADBP's hemodynamic effects by measuring aortic branch blood flow, left ventricular afterload, aortic wall stress, and wall shear stress. IADBP outperformed IABP in enhancing blood flow to the coronary arteries, upper limbs, and brain vessels (left and right coronary arteries: 0.88 vs. 1.27, 1.27 vs. 1.99 mL/beat; brachiocephalic artery, left common carotid artery, and left subclavian artery: 6.08 vs. 12.39, 2.48 vs. 4.97, 2.31 vs. 5.08 mL/beat). IADBP also demonstrated superior performance in counterpulsation pressure and left ventricular ejection (counterpulsation phase: 97.41 mmHg vs. 110.03 mmHg; ventricular unloading phase: 72.21 mmHg vs. 66.46 mmHg). The use of IADBP elevates stress on the aortic wall and wall shear stress, potentially affecting vascular health. IADBP effectively addresses upper limb and cerebral hypoperfusion issues associated with IABP, demonstrating superior performance in enhancing counterpulsation pressure and left ventricular ejection. Despite potential vascular biomechanical effects, IADBP provide a promising clinical treatment option. Further studies are needed to refine IADBP ‘s design and evaluate its long‐term clinical efficacy.
Blockchain‐Powered Framework for Trust Enhancement in FinTech: A Comprehensive Trust Evaluation Approach
Authors: Vairagade Rupali Sachin , Parkhi Priya , Hande Yogita , Hambarde Bhagyashree 
Published: January 2025

ABSTRACTThe rapid advancement of financial technology (FinTech) has led to the integration of advanced technologies like data science, blockchain, cloud computing, and artificial intelligence. However, trust evaluation remains a critical challenge in dynamic landscape. Existing trust evaluation methods often neglect key aspects of timeliness, reliability, and non‐invasiveness, leading to imprecise trust assessments and insufficient detection of malicious user behavior. This paper introduces a robust four‐layer architectural framework with the blockchain layer, edge computing service layer, cloud computing service layer, and terminal user application layer leveraging blockchain technology for authentication and trust evaluation. Blockchain technology transforms FinTech data into linked data, ensuring data security and decentralization during information transfers. A novel hybrid consensus protocol combining Proof of Elapsed Time (PoET) and Proof of Stake (PoS) is introduced to enhance the efficiency and security of the blockchain. Extensive simulation experiments have demonstrated significant improvements in data security, reliability, and accuracy of trust assessments compared to existing methods. This paper presents a comprehensive solution for enhancing trust evaluation in FinTech, emphasizing timeliness, reliability, and non‐invasiveness of assessments.
Optimized Framework for Composite Cloud Service Selection: A Computational Intelligence‐Driven Approach
Authors: Tomar Abhinav , Rathee Geetanjali 
Published: January 2025

ABSTRACTOver the past decade, as demand for cloud services has surged, the strategic selection of these services has become increasingly crucial. The growing complexity within the cloud industry underscores the urgent need for a robust model for choosing cloud services effectively. Users often struggle to make informed decisions due to the dynamic nature and varying quality of available cloud services. In response, this paper introduces a novel decision‐making approach aimed at optimizing the selection process by identifying the most suitable combination of cloud services. The focus is on integrating these services into a cohesive ensemble to better fulfill user requirements. In contrast to existing methodologies, our approach evaluates cloud services on a continuous scale, taking into account critical tasks such as workload balancing, storage management, and network resource handling. We propose a model for selecting optimal composite cloud services, which includes real‐time optimization and addresses the consideration of null values for Quality of Service (QoS)‐based attributes (e.g., response time, cost, availability, and reliability) in the dataset—a factor overlooked by current literature. The proposed algorithm is inspired by computational intelligence and driven by an evolutionary algorithm‐based approach that undergoes evaluation across multiple datasets. The results illustrate its superiority, showcasing its ability to outperform existing optimization‐based methods in terms of execution time.
Adjusting the Ratio of Oxidation States in a CuO@Cu2O for the Optimization of Electrocatalytic CO2 Conversion to Ethylene
Authors: Lu Jun , Ren Yanhan , Wang Liang , Zou Lie , Liang Jing , Liang Xiaolong , Gao Yan , Li Fei , Gao Junfeng , Terfort Andreas , Liu Jinxuan 
Published: January 2025

AbstractUnderstanding the impact of surface copper valence states on the distribution of electrochemical carbon dioxide products is critical. Herein, CuO@Cu2O with a Cu2+/Cu+ interface was fabricated using wet chemical etching approach. The hollow shape offered a large region for gas adsorption, while the interfacial mixed chemical state of Cu2+/Cu+ with tunable control ratio raised the local density of CHO* and accelerated the carbon‐carbon coupling reaction. The H‐cell test results demonstrate that, as result of this precise structural design, the Faraday efficiency of ethylene is enhanced from 15.2 % to 43.5 %, and the service life is increased 4 times. In addition, its selectivity is almost 50 % and its partial current density in MEA is 93.2 mA cm−2. In situ Raman and DFT data demonstrate that the Cu2+/Cu+ interface effect enhances the concentration of COCHO intermediates and lowers the energy barrier for the conversion of CO* to COCHO* intermediates.
Mechanochemistry: Unravelling the Impact of Metal Leaching in Organic Synthesis
Authors: Basoccu Francesco , Caboni Pietro , Porcheddu Andrea 
Published: January 2025

AbstractSolvent‐free techniques have gained considerable attention in recent years due to their environmental advantages and potential to enable chemical reactivities beyond the reach of traditional solution‐based methods. Mechanochemistry has emerged as a groundbreaking approach to drive sustainable chemical processes. Despite its promise, some challenges still need to be explored, including the overlooked issue of material leaching during grinding, a phenomenon in which components from milling media or reaction vessels, such as stainless steel, unintentionally alter reaction outcomes. This study investigates the role of metal leaching in reducing arylnitrosamines by using a poorly soluble solid reagent, thiourea dioxide (TDO), focusing on stainless steel vessels. By comparing conventional mechanochemical methods with innovative solvent‐free vibratory techniques, we assess the extent of metal contamination and its impact on reaction efficiency. These findings provide new insights into how material leaching influences chemical processes and offer valuable guidance for optimizing these forward‐looking and green methodologies.
Unraveling Biogeographic Boundaries Within the Sierra Madre Oriental, México: An Endemicity Analysis Using a Taxonomically Diverse Dataset
Authors: Goyenechea Mayer‐Goyenechea Irene , Montiel‐Canales Gustavo , Márquez Juan , Hornung‐Leoni Claudia T. , Castillo‐Cerón Jesús M. , Manríquez‐Morán Norma L. 
Published: January 2025

ABSTRACTThe Sierra Madre Oriental (SMO) is a significant mountain range and one of Mexico's 14 biogeographical provinces. Its delimitation has been debated. This study aims to analyze the distribution of plants, beetles, odonates, amphibians, reptiles, and mammals using an endemicity analysis to identify endemism areas and confirm the SMO's biogeographical units. Georeferenced data for 326 species distributed in the Sierra Madre Oriental were compiled using QGIS software, and an endemicity analysis (EA) was carried out with NDM‐VNDM to evaluate taxon distribution congruence in predefined grids. Different grid sizes and specific parameters were used to identify areas of endemism, with an Endemicity Index (EI) assigned to measure the consistency of these areas. Six main areas of endemism (EA) were identified: two in the northern region and four in the southern region of the SMO. These areas are supported by several taxa, except mammals, which did not significantly contribute to the identified AEs. The study suggests new boundaries within the SMO, establishing the Rio Verde as the natural barrier in the north rather than the Moctezuma River. The multi‐taxonomic analysis supports dividing the SMO into two subprovinces, proposing a new delimitation based on the distribution of species with different dispersal capacities. This new regionalization can be useful for prioritizing conservation areas and designing more effective strategies. Future research should include more distribution data of mammals and birds to strengthen these results and better define the subprovinces and biogeographical districts of the SMO.
SMM Behavior in Distorted Trigonal Bipyramidal and Tetrahedral Cobalt(II) Complexes Based on Tripodal Tetradentate Phenolic Amines
Authors: Massoud Salah S. , Mautner Franz A. , Sakiyama Hiroshi , Louka Febee R. , Salem Nahed H. M. , Fischer Roland C. , Torvisco Ana , Guizouarn Thierry , Velmurugan Gunasekaran , Comba Peter , Pointillart Fabrice 
Published: January 2025

AbstractFour CoII complexes [Co(L1)(MeOH)] ⋅ MeOH (1 ⋅ MeOH), [Co(L2)(MeOH)] ⋅ MeOH (2 ⋅ MeOH), [Co(L3)(H2O)] ⋅ MeOH (3 ⋅ MeOH) and [Co(L4)] (4), derived from tripodal tetradentate phenolic amine arms, H2L1–4 were synthesized and structurally characterized. The complexes 1 ⋅ MeOH, 2 ⋅ MeOH and 3 ⋅ MeOH displayed distorted trigonal bipyramidal geometry, whereas 4 exhibited distorted tetrahedral geometry, depending on the substituents at the phenolate rings and amine arm. The variation of the coordination geometries and interatomic parameters around the CoII center has an impact on the magnetic behavior of the compounds. The complexes show magnetic anisotropy (ZFS) of the MS=
1/2 and and
3/2 sub‐levels, with D=29.1(2), 22.7(1), 28.8(2) and 30.9(5) cm−1 for 1 ⋅ MeOH, 2 ⋅ MeOH, 3 ⋅ MeOH and 4, respectively. The results obtained from ab initio CASSF calculations match well with the experimental data, revealing the origin of magnetic anisotropy. The dynamic ac magnetic investigation of the magnetic susceptibility revealed a slow magnetic relaxation behavior for 2 ⋅ MeOH, 3 ⋅ MeOH and 4. The field‐induced slow relaxation of the magnetization occurred through combination of Raman and Direct processes, depending on the variation in the coordination geometries imposed by the coordinated ligand and/or the interatomic parameters around the CoII center, which in turn have definite impact on the magnetic features of the compounds.
Rapeseed Oil‐Based Oleogels With Sunflower Wax and Monoacylglycerols as Alternatives to Conventional Frying Fats and Oils for Deep‐fat Frying of French Fries
Authors: Nikolay Sharline , Schubert Madline , Erlenbusch Nelli , Weber Lydia , Smit Inga , Matthäus Bertrand 
Published: January 2025

ABSTRACTRapeseed oil‐based oleogels structured with 5% sunflower wax (SFW) and 5% monoacylglycerols (MG), respectively, were used for deep‐fat frying French fries to optimize surface properties in terms of their oily perception. The resulting oleogels were compared to rapeseed oil. In a stress test, oleogel SFW was comparable to rapeseed oil after 20 frying cycles in total polar compounds (36.1 g/100 g, 34.0 g/100 g for rapeseed oil), polymerized triacylglycerols (PTAGs) (13.6%, 14.4% for rapeseed oil), and color. Oleogel MG resulted in higher contents of total polar compounds (40.9 g/100 g) and PTAGs (19.9%). Additionally, oleogel MG was less firm than oleogel SFW. This result was confirmed by rheology. Comparison of the sensory quality of the French fries showed that the products fried in oleogels had less oily haptic properties and a less oily mouthfeel. Lightness, aroma perception, and crispness were not significantly different to the rapeseed oil. Color and texture showed little to no differences between the samples. The total fat content of the French fries showed lower values for products fried in oleogel MG (9.2 g/100 g), whereas products fried in rapeseed oil (13.2 g/100 g) or oleogel SFW (12.1 g/100 g) showed no significant difference.Practical Applications: Deep‐fat frying is one of the most popular methods of preparing food. One problem is that the deep‐frying media used either contain high levels of saturated fatty acids, which are unfavorable in terms of nutritional physiology, or that they are liquid vegetable oils that oil out during the storage of deep‐fried food. Therefore, the use of so‐called oleogels based on rapeseed oil could be a favorable alternative, which combines the techno‐functional properties of solid fats with the nutritional–physiological advantages of liquid rapeseed oil. This article shows as an example that the application of oleogels for the preparation of French fries results in products with advantages regarding oily haptics and oily mouthfeel without having disadvantages for most other parameters describing the frying oil quality.
Design and Synthesis of a Sialic Acid‐Derived Tracer for 18F‐PET Multiple Sclerosis Imaging
Authors: Siebold Kathrin , Göbel Lea , Konken Christian Paul , Faust Andreas , Gilmour Ryan 
Published: January 2025

AbstractMultiple Sclerosis (MS) is a leading cause of nontraumatic neurological disability in young adults, and efforts to understand disease progression continue to be intensively pursued. This is essential in order to reconcile the societal impact of this condition with the conspicuous absence of effective treatment regimes. Whilst magnetic resonance imaging (MRI) has revolutionized the field, enabling MS to be visualized in patients, distinguishing between other diseases that cause myelin sheath damage is a persistent challenge. Positron Emission Tomography (PET) holds great promise in differentiating neurological diseases, due to highly specific radiopharmaceuticals. To contribute to the growing interest in developing selective MS imaging agents, an 18F‐modified sialic acid‐based PET‐tracer candidate with high affinity towards myelin‐associated glycoprotein (MAG) is disclosed. Since numerous demyelination patterns are characterized by preferential MAG loss, this target scaffold is attractive in identifying lesion formation. A multi‐step synthesis of the tracer is disclosed, together with preliminary validation of the radio‐labeling process. In vitro experiments revealed promising properties that will inform future research.
Identifying the Factors That Drive Health Service Utilization Among Healthy and Non‐Healthy Agers in a Sample of Older Ethiopians: A Cross‐Sectional Study
Authors: Belachew Amare , Cherbuin Nicolas , Bagheri Nasser , Burns Richard 
Published: January 2025

ABSTRACTBackground and AimsPopulation aging is associated with the rising incidence of chronic illness. This presents a significant challenge to healthcare systems, particularly in developing countries, as untreated chronic conditions can lead to years of disability and loss of independence straining health budgets and resources. Promoting healthy aging can be one avenue for mitigating these challenges. This study aims to identify factors influencing health service use among healthy and non‐healthy agers, utilizing the Andersen‐Newman model that describes predisposing (including demographic characteristics, social structure, and health beliefs), enabling (related to the logistical aspects of obtaining care, such as personal and community resources), and need factors (referring to the individual's perceived and evaluated health status).MethodsOlder adults (n = 545) in Bahir Dar, Ethiopia were surveyed about their health and health‐seeking behaviors. Associations between risk factors and health service utilization were examined using Poisson regression with robust standard errors.ResultsA total of 79.3% of older adults utilized health services, with consistent usage between healthy and non‐healthy agers. Factors associated with increased health service utilization included severe (RR = 2.20; 95% CI: 1.56–3.09), and moderate (RR = 2.03; 95% CI: 1.44–2.85) disease severity, reporting comorbid conditions (RR = 1.14; 95% CI: 1.06–1.23), having health insurance (RR = 1.14; 95% CI: 1.05–1.23), not reporting loneliness (RR = 1.13; 95% CI: 1.02–1.26), and being financially independent (RR = 1.11; 95% CI: 1.00–1.22). Conversely, residing in rented housing (RR = 0.78; 95% CI: 0.62–0.98) and living greater than 30 min from a healthcare facility (RR = 0.62; 95% CI: 0.54–0.71) decreased health service utilization.ConclusionHealth service utilization was low compared to developed countries. This could be due to newer and improved health services in developed countries. Improving financial independence, health insurance coverage, access to healthcare facilities, and encouraging peer or family support can enhance healthcare access in Ethiopians.