bluuebunny/crossref_metadata_2025_split huggingface dataset:
Facing the “Cutting Edge:” Edge Site Engineering on 2D Materials for Electrocatalysis and Photocatalysis
Authors: Ying Yiran , Fan Ke , Lin Zezhou , Huang Haitao 
Published: January 2025

AbstractThe utilization of 2D materials as catalysts has garnered significant attention in recent years, primarily due to their exceptional features including high surface area, abundant exposed active sites, and tunable physicochemical properties. The unique geometry of 2D materials imparts them with versatile active sites for catalysis, including basal plane, interlayer, defect, and edge sites. Among these, edge sites hold particular significance as they not only enable the activation of inert 2D catalysts but also serve as platforms for engineering active sites to achieve enhanced catalytic performance. Here it is comprehensively aimed to summarize the state‐of‐the‐art advancements in the utilization of edge sites on 2D materials for electrocatalysis and photocatalysis, with applications ranging from water splitting, oxygen reduction, and nitrogen reduction to CO2 reduction. Additionally, various approaches for harnessing and modifying edge sites are summarized and discussed. Here guidelines for the rational engineering of 2D materials for heterogeneous catalysis are provided.
rGO‐Aluminium Substrates as Broad‐Spectrum Antimicrobial and Antibiofilm Functional Materials
Authors: Ojha Deepak Kumar , Polai Balaram , Nasker Sourya Subhra , Mehra Ashwaria , Das Smruti Ranjan , Nayak Saroj K. , Ajayan Pulickel M. , Nayak Sasmita 
Published: January 2025

AbstractThe intractable prevalence of contact‐mediated infections warrants the development of next‐generation antimicrobial materials. Since bare metals like aluminum (Al) are prone to limitations such as microbial contamination and corrosion, it is imperative to develop a sustainable substrate using infinitely recyclable aluminum, with robust antimicrobial activity. This study reports broad‐spectrum antibiofilm and antimicrobial activity of electro‐chemically deposited reduced graphene oxide on aluminum (rGO‐Al) substrates toward clinically important pathogens, Gram‐negative E. coli, Gram‐positive S. aureus, and fungus C. albicans. This further evaluates the knowledge gap by correlating the observed antimicrobial properties of rGO‐Al materials to the possible mechanism(s). Next, measurements of water contact angle and 4‐probe conductivity tests confirm the hydrophobic and conducting nature of the synthesized substrates respectively. In vitro, experimental results show that rGO‐Al substrates can significantly inhibit the growth and viability of test organisms. While scanning electron microscopy (SEM) analyses confirm contact‐mediated cell membrane damage, fluorescence microscopy reveals potent antibiofilm activity of test substrates. Alterations in membrane potential and reactive oxygen species (ROS) production provide further evidence for the antimicrobial activity via microbial membrane disruption. Thus, a perspective mechanism is proposed, where the surface hydrophobicity of rGO‐Al promotes a stable interaction with the microbes. Further, conductivity‐driven‐electron transfer induces ROS production leading to membrane damage. Current research will facilitate the development of high‐performance aluminum‐based nanomaterials that can replace bare Al in the industrial and biomedical sectors. The sustainable nature of rGO‐Al substrates will enhance the longevity and functionality of underneath Al surface by inhibiting microbial colonization and concurrent outcomes.
Approximately 15% of Miscanthus yield is lost at current commercial cutting heights in Iowa
Authors: Petersen Bryan , Emran Shah‐Al , Miguez Fernando , Heaton Emily , VanLoocke Andy 
Published: January 2025

AbstractVarious works have quantitatively characterized the effects of environmental and management factors on Miscanthus giganteus Greef et Deu (mxg) yield and, therefore, anticipated land requirement per unit production. However, little work has addressed the effects of cutting height, which may significantly contribute to the difference between the standing aboveground biomass at harvest (i.e., biological yield) and harvested yield. This study quantitatively characterized the effect of cutting height using a replicated nitrogen trial of a 5‐year‐old mxg stand in southeast Iowa and related this information to observations of cutting height in nearby commercial fields. Nitrogen fertilizer did not significantly change the relationship of the stem segment mass to length, and overall, a 1‐cm stem segment contributes 0.5% of the total stem biomass within the bottom 44 cm of the stem. This results in an average harvest loss of 15% of the aboveground standing biomass when cutting at 30 cm, typically seen in commercial mxg fields in eastern Iowa. Cutting height should be considered when accurately predicting commercial mxg harvest yields and changes in soil organic carbon in a commercial mxg agroecosystem.
Divergent Chemoenzymatic Synthesis of Sulfated Ganglio‐Oligosaccharides for Probing Ligand Requirements of Glycan Binding Proteins
Authors: Bunyatov Mehman I. , Wolfert Margreet A. , Boons Geert‐Jan 
Published: January 2025

AbstractSulfoglycolipids are an important class of acidic glycosphingolipids that have been implicated in a multitude of biological processes. Little is known about the interactome of sulfated gangliosides, and it is not well understood how a possible interplay between sialylation and sulfation influences molecular recognition. Here, we describe a chemoenzymatic strategy that readily provided a panel of twenty‐one sulfated and sialylated ganglio‐oligosaccharides. It is based on the chemical synthesis of a core tetra‐ and pentasaccharide that are equipped with the orthogonal protecting groups allyloxycarbonate (Alloc), levulinate ester (Lev) and t‐butyldimethylsilyl ether (TBS). Selective removal of one or more protecting groups followed by sulfation of the resulting alcohol(s) and deprotecting gave several ganglio‐oligosaccharides. Compound lacking an internal sialic acid could be prepared by exposing several derivatives to a sialidase. Compounds having an unmodified terminal galactoside could enzymatically be sialylated to give hybrid structures, which could be further extended to provide 2,8‐sialosides. The synthetic glycans were printed as a microarray which was used to examine ligand requirements of a series of glycan‐binding proteins including antibodies, toxins, galectins and siglecs. It was found that sulfation regulates protein binding in complex manners and in general sulfation and sialylation of C‐3 of the terminal Gal influences protein binding in different ways.
Non‐Substituted Aromatic Pyridine N‐Oxide Additives with an Intrinsic N→O Acceptor for Ultra‐Long‐Life Zn||MnO2 Batteries
Authors: Kang Qin , Liang Hongyu , Zhu Zhaomin , Xing Fuxu , Zhu Bingzheng , Li Yuman , Wang Shihao , Tang Shengda , Li Hui , Pan Li , Yang Lijun , Mo Tangming , Bu Yongfeng 
Published: January 2025

AbstractVarious organic and inorganic reagents containing N/O functional groups have been developed as additives to aqueous electrolytes (e.g., ZnSO4, ZS) of zinc‐ion batteries (ZIBs). However, finding an additive that can significantly enhance the durability of Zn anodes by inhibiting Zn dendrites and side reactions remains a considerable challenge. Herein, pyridine N‐oxide (PNO), a non‐substituted aromatic compound with a nitrogen positive charge‐induced N→O bond, is explored as ZS additives for highly durable Zn plating/stripping electrolytes (i.e., PNO/ZS). The optimized PNO0.03/ZS mixture demonstrates exceptional stability for Zn anodes, achieving a cycle life exceeding 4200 h and a Coulombic efficiency of 99.9 % at 1 mA cm−2 and 1 mAh cm−2. It maintains over 1000 h of life and a cumulative capacity of 2.5 Ah cm−2, even when subjected to plating/stripping conditions intensified by a factor of 5. Importantly, it enables Zn||α‐MnO2 cells to sustain high‐current charge/discharge cycles for over 5000 cycles, retaining 80 % (125 mAh g−1) of the initial capacity, which is the best performance reported for similar additive systems. This exceptional stability is ascribed to the highly reversible Zn anode plating/stripping, facilitated by the suitable coordination interactions between the N→O acceptor of PNO and the Zn2+/H2O donor, effectively inhibiting side reactions.
Data‐Driven Accelerated Discovery Coupled with Precise Synthesis of Single‐Atom Catalysts for Robust and Efficient Water Purification
Authors: Zhong Keng‐Qiang , Yu Fu‐Yun , Zhang Di , Li Zheng‐Hao , Xie Dong‐Hua , Li Ting‐Ting , Zhang Yun , Yuan Li , Li Hao , Wu Zhen‐Yu , Sheng Guo‐Ping 
Published: January 2025

AbstractThe development of advanced catalysts frequently employs trial‐and‐error methods and is lack of highly controlled synthesis, resulting in unsatisfactory development efficiency and performance. Here we propose a data‐driven prediction coupled with precise synthesis strategy to accelerate the development of single‐atom catalysts (SACs) for efficient water purification. The data‐driven approach enables the rapid screening and prediction of high‐performance SACs from 43 metals‐N4 structures comprising transition and main group metal elements, followed by validation and structural modulation for improved performance through a highly controllable hard‐template method. Impressively, a well‐designed Fe‐SAC with a high loading of Fe‐pyridine‐N4 sites (~3.83 wt %) and highly mesoporous structure, exhibits ultra‐high decontamination performance (rate constant of 100.97 min−1 g−2), representing the best Fenton‐like activities for sulfonamide antibiotics to date. Furthermore, the optimized Fe‐SAC shows excellent robust environmental resistance and cyclic stability with almost 100 % degradation efficiency of sulfonamide antibiotics for 100‐h continuous operation. Density functional theory calculations reveal that Fe‐pyridine‐N4 sites can reduce the energy barrier of intermediate O* formation, the rate‐determining step, resulting in highly selective generation of singlet oxygen. The integration of data‐driven method with precise synthesis strategy provides a novel paradigm for the rapid development of high‐performance catalysts for environmental field as well as other important fields including sustainable energy and catalysis.
Enhancing Predictive Modeling of Chinese Yam Shape Through Bayesian Linear Modeling and Key Diameter Modification
Authors: Zhang Haifeng , Kyo Koki , Hachiya Mitsuru , Noda Hideo 
Published: January 2025

ABSTRACTIn the development of devices for cutting Chinese yams into chunks for use as seeds, accurately measuring the yam's shape with a simple mechanism is crucial. In our prior study, we introduced a statistical approach for predicting the shape of a Chinese yam based on its key diameters. This method involves organizing sample data, estimating diameters at discrete points along the central axis, and constructing a predictive model based on these estimated diameters. However, the initial predictive model relied on separate regression models for each point, potentially leading to instability. In this article, we enhance our previous approach by incorporating a new step that refines the estimation of regression coefficients through Bayesian linear modeling methods. This modification allows for the simultaneous estimation of regression coefficients, ensuring greater stability in the reconstructed model. Additionally, we modify the method for locating key diameters. To validate the performance of the enhanced approach, we apply it to a set of samples and compare the output of the reconstructed model with that of our initial method. The results demonstrate improved stability and performance, highlighting the efficacy of the refined modeling technique.
On Classical Inference of a Flexible Semi‐Parametric Class of Distributions Under a Joint Balanced Progressive Censoring Scheme
Authors: Bhattacharyya Dhrubasish , Kundu Debasis 
Published: January 2025

ABSTRACTThe paper deals with the estimation procedures for the proportional hazard class of distributions under a two‐sample balanced joint progressive censoring scheme. The baseline hazard function is assumed to be piecewise constant, instead of any specific form. This adds flexibility to the proposed model, and the shape of the underlying hazard function is completely data‐driven. Since the complicated form of the likelihood function does not yield closed‐form estimators, we propose a variant of the Expectation‐Maximization algorithm, known as the Expectation Conditional Maximization (ECM) algorithm, for obtaining maximum likelihood estimates of the model parameters. This leads to explicit expressions for the iterative constrained maximization steps of the algorithm. An extension to the case when the cut points are unknown has also been considered for dealing with problems involving real data. Simulation results and illustrations using real data have also been presented.
Redundancy Allocation for Series and Parallel Systems: A Copula‐Based Approach
Authors: Kumar Ravi , Rao T. V. , Naqvi Sameen 
Published: January 2025

ABSTRACTThe allocation of redundant components to a system is a common method for enhancing the system's lifetime. This study explores the optimal allocation of redundancies in series and parallel systems with two components by assuming components and redundancies are dependent. That is, we perform the stochastic comparisons of the series (parallel) systems in the case of two redundancies at the component level. Specifically, we examine the stochastic comparisons across three scenarios: (i) components (and redundancies) have dependent lifetimes but are independent of each other, and components (redundancies) have identical marginal distributions in the two generated systems; (ii) components (and redundancies) have dependent lifetimes and are independent of each other, but the marginal distributions of components (redundancies) are different in the two generated system; and (iii) components and redundancies are interdependent and the marginals of the components (redundancies) in the two generated systems are same. In this study, we model the dependency using the concept of copula and perform the desired stochastic comparisons using generalized distorted distribution functions. Furthermore, we demonstrate our findings through various examples and counterexamples. Finally, we provide a simulation‐based study and a real data analysis to illustrate our findings.
Fluorescence Probe for Detection of Malathion Using Sulfur Quantum Dots@Graphitic‐Carbon Nitride Nanocomposite
Authors: Kumar Jothi Vinoth , Rhim Jong‐Whan 
Published: January 2025

ABSTRACTA novel fluorescence‐based sensor has been developed for the sensitive detection of malathion, an organophosphorus pesticide, using sulfur‐doped quantum dots (SQDs) embedded within graphitic carbon nitride (g‐C₃N₄) nanosheets. The SQDs were synthesized through a hydrothermal method, whereas the g‐C₃N₄ nanosheets were produced via an exfoliation process. The resulting SQDs@g‐C₃N₄ nanocomposite demonstrated outstanding performance for malathion detection in food samples, exhibiting a wide linear detection range of 10–120 μM and an exceptionally low detection limit of 0.02 μM. This sensitivity allows for accurate and rapid pesticide monitoring at trace levels. The sensor's performance was optimized by varying experimental conditions, ensuring that it provided high sensitivity, excellent stability, and impressive selectivity toward malathion, even in complex food matrices.
Alterations in Protein Phosphorylation and Arginine Biosynthesis Metabolism Confer β‐Phenylethanol Tolerance in Saccharomyces cerevisiae
Authors: Yang Chenghan , Ren Yilin , Zhang Li , Li Yina , Wang Chunxia , Hang Haifeng , Tian Xiwei , Mohsin Ali , Chu Ju , Zhuang Yingping 
Published: January 2025

ABSTRACTThe aromatic compound β‐phenylethanol (2‐PE) is inherently toxic and can inhibit cell activity in Saccharomyces cerevisiae, making it highly challenging to enhance strain tolerance through rational design due to the lack of reliable connections between tolerance phenotype and genetic loci. This study employed adaptive laboratory evolution strategy to investigate the tolerance characteristics of S. cerevisiae S288C under inhibitory concentrations of 2‐PE. The tolerant mutant SEC4.0 was characterized through comprehensive analysis of whole genome sequence, transcriptome, and phosphoproteome. The findings revealed that the high resistance of SEC4.0 was not primarily due to large‐scale transcriptional upregulation of stress response genes, but rather through alterations in the phosphorylation levels of lipid‐related pathways. PKC1 mutations that affect stress signal transduction and SPT3 mutations that affect arginine biosynthesis have been shown to significantly enhance 2‐PE resistance. This study also investigated the effects of exogenous amino acid addition and synergistic effects with two key mutanted genes on 2‐PE resistance. This study provides a foundation for enhancing yeast tolerance to this aromatic compound through rational design strategies.
Transcatheter Stenting to Restore Cross‐Sectional Area of Extracardiac Fontan Conduits
Authors: Patel Neil D. , Saadat Edris , Sullivan Patrick M. , Cheng Andrew L. , Takao Cheryl , Berman Darren P. 
Published: January 2025

ABSTRACTBackgroundReduction in cross‐sectional area (CSA) of extracardiac Fontan conduits (EFC) is a known complication of the Fontan operation. Relief of obstruction is crucial for optimal Fontan physiology. The aim of this study is to describe technical aspects and outcomes of EFC stenting and short‐term follow‐up.MethodsA retrospective study was performed of patients who underwent stent implantation in EFCs with reduced CSA from July 2011 to February 2024. The expected conduit CSA was calculated based on the implanted EFC diameter. The minimum CSA before and after stent implantation was calculated. The minimum EFC diameter and CSA were compared pre‐ and post‐intervention. Data are presented as median [interquartile range].ResultsSixty‐five patients with reduced EFC CSA underwent stent implantation (median age: 13.3 [12.5, 16.8] years, median weight: 49.5 [41.6, 65.4] kg). Forty‐seven (72.3%) catheterizations were performed for routine surveillance. In the 63 patients with a known original EFC size, the median reduction in EFC CSA was 36.0 [29,46] %. The minimum CSA was significantly smaller than the expected CSA (157.2 [133.7, 180.1] mm2 vs. 254.5 [254.5, 254.5] mm2, p < 0.0001). Including all patients the minimum EFC diameter and CSA were 12.5 [11.6, 13.4] mm and 153.8 [133.7, 179.7] mm2, respectively. Following stent placement EFC diameter and CSA improved to 16.8 [16.2, 17.8] mm (p < 0.0001) and 234.8 [223.4, 269.2] mm2 (p < 0.0001), respectively. The EFC CSA was 96.8 [89.2, 108.4] % of the expected CSA based on the original EFC diameter. In 24 (36.9%) patients the EFC CSA following stent placement was greater than the expected CSA. There were nine complications in total, of which two were related to EFC stenting.ConclusionsStent implantation can safely and effectively restore EFC CSA. In select cases, conduits can be expanded beyond the stated diameter.
Unveiling the Enigma: Idiopathic Digital Infarction—A Case Report and Literature Review
Authors: Jaradat Jaber H. , Walid Wadi , Obeidat Aram F. , Amro Raghad , Nashwan Abdulqadir J. 
Published: January 2025

ABSTRACTIdiopathic digital infarction (IDI), a rare subset of digital infarction, is characterized by ischemic changes in the absence of identifiable underlying etiology. We present the first documented case of IDI in a 47‐year‐old female with insignificant medical history. Clinical evaluation revealed bluish discoloration of the left lateral three fingers. Negative findings on autoimmune serologies, echocardiogram, and coagulation profiles excluded common causes, such as vasculitis, cardiac embolism, and hypercoagulable states. Imaging studies demonstrated ischemic changes in the left cerebellar hemisphere and proximal left subclavian artery, which supported the diagnosis of acute infarction. The patient was managed conservatively and was discharged. This case underscores the diagnostic complexities of IDI and highlights the importance of thorough evaluation and management.
A High‐Performance Polysulfide‐Trapping Lithium Sulfur Battery Cathode: Cubic Co3O4 Catalyst within a Nitrogen‐Doped Entangled Graphene Framework
Authors: Manna Narugopal , Soni Roby , Young R. S. , Jervis Rhodri , Miller Thomas S. 
Published: January 2025

AbstractThe cycling performance of lithium‐sulfur (Li−S) batteries is hampered by polysulfide dissolution which impacts the overall performance of Li−S batteries. Here we report the synthesis and characterization of polysulfide trapping cathode material for Li−S batteries based on Co3O4 nanocubes supported within a nitrogen‐doped entangled graphene (Co3O4/NEGF). The highly porous conductive graphene network is shown to facilitate fast electron transport and ion diffusion while the nitrogen dopants and polar Co3O4 offer both abundant active sites for polysulfide conversion while promoting intermediate polysulfide binding. The porous structure allows for high sulfur loading of 76.4 wt % (S@Co3O4/NEGF), while efficiently accommodating volumetric expansion during charge‐discharge. The Co3O4/NEGF cathode composite exhibited a high specific capacity of 1143 mAh g−1 at a current density of C/20 and maintained a 79 % reversible capacity after 200 cycles at C/5.
Dual Charge‐Transfer Emission in Chalcone‐Based Donor‐π‐Acceptor System and the Modulation of Down‐Conversion of Triplet Exciton with the Polarity of the Medium
Authors: Singh Piyush , Pattanayak Pradip , Majumdar Shubhangi , Mukherjee Soham , Banerjee Shrestha , Purkayastha Pradipta , Kumar Chowdhury Pramit , Musser Andrew J. , Kumar Ghosh Sujit 
Published: January 2025

AbstractThermally activated delayed fluorescence (TADF) has recently emerged as a promising process with significant potential to advance organic light‐emitting diodes (OLEDs) for display applications. The donor‐acceptor system is a well‐known molecular arrangement exhibiting TADF properties. However, our investigation into the chalcone‐based donor‐π‐acceptor (D‐π‐A) system (SKG1) reveals that the en‐one bridging unit in chalcone plays a crucial role in the reverse intersystem crossing (rISC) process and may be responsible for the existence of two conformational isomers. In stark contrast with the conventional endothermic TADF process, the designed molecule follows a down‐converted cold rISC pathway that also from a higher‐lying triplet (Tn) state to the lowest singlet (S1) state (in toluene) with remarkably short delayed fluorescence lifetime of 350 ns. Additionally, this rISC process is found to be sensitive to the polarity of the medium. The UV‐vis‐NIR transient absorption spectroscopy reveals an ultrafast intersystem crossing (ISC) process within <100 ps and the involvement of higher lying triplet state in rISC process. This comprehensive research deepens the understanding of the rISC mechanism and paves the way for developing next‐generation OLED materials using D‐π‐A‐based delayed emitters.