bluuebunny/crossref_metadata_2025_split huggingface dataset:
Standardized Eucalyptus maculata (Corymbia maculata) Resin Extract: Metabolomic Profiling, In Vitro and In Silico Study of Anti‐HSV Activity
Authors: Bassam Samar M. , Abdelwahab Ibrahim A. , Teleb Mohamed , Ali Dalia E. 
Published: December 2024

ABSTRACTRecent episodes of viral pandemics have led to a quest for new drugs to act on emerging targets. Most challenging viruses are only mutants of already known viruses. Here comes the role of metabolomics in investigating natural secondary metabolites as sustainable antiviral drug candidates. Resins are natural plant products having the advantage of being concentrated and consisting of precious terpenoids, phenolics, and flavonoids, known for their anti‐pathogen activity. This study aimed at investigation of the major phytoconstituents in the Eucalyptus maculata (EM) resin using high resolution liquid chromatography–mass spectrometry (LC–MS/MS) and investigating its antiviral potential. In vitro screening of the standardized EM antiviral activity was performed. High resolution LC–MS/MS analysis was done for the extract followed by investigation of the possible active metabolites through molecular docking techniques against two viral protein targets; herpes simplex virus glycoprotein D (HSV gD) and B‐ and T‐lymphocyte attenuator/herpes virus entry mediator complex. The evaluation in negative and positive modes identified 29 substances and revealed the prevalence of coumaryl and galloyl derivatives, in addition to kaempferol and aromadendrin derivatives. Antiviral in vitro screening led to the conclusion of the promising effect of the resin against HSV that was further confirmed through molecular docking. EM resin represents a future sustainable drug discovery and should be further investigated as an antiviral agent.
A New Azaphilone From the Marine Sponge‐Associated Fungus Botryosporium pulchrum
Authors: Li Dai‐Chun , Wei Mei‐Wen , Yang Zhen‐Yu , Guo Ze‐Jie , Liao Xiao‐Jian , Xu Shi‐Hai , Zhao Bing‐Xin 
Published: December 2024

ABSTRACTA new azaphilone, botryazaphilone (1), the first example of azaphilone featuring a 6/6/5/5 tetracyclic system, together with two known ones, chermesinone A (2) and perangustol B (3), had been obtained from the marine sponge‐associated fungus Botryosporium pulchrum. The structure of 1 was elucidated through the analysis of spectroscopic data, whereas its absolute configuration was determined via single‐crystal x‐ray diffraction. It is the first report of the secondary metabolites isolated from the genus Botryosporium. Furthermore, all the compounds showed potential anti‐inflammatory activities on the model of CuSO4‐induced transgenic zebrafish.
Isolation and Characterization of Sesquiterpene Lactones From Syneilesis aconitifolia and Evaluation of Their Anti‐Breast Cancer Activity
Authors: Gao Jie , Zhang Cong , Hu Li‐Juan , Lin Kuan , Zhou Mei , Zhu Shu‐Xiu , Sun Bin‐Lian , Liu Wei , Shu Xi‐Ji , Gan Guo‐Ping , Ye Xian‐Sheng , Yang De‐Sen 
Published: December 2024

ABSTRACTTwo undescribed sesquiterpene lactones (1 and 2), along with two known analogs (3 and 4), were isolated from Syneilesis aconitifolia. Their structures and absolute configurations were elucidated using spectroscopic analysis, ECD calculations, and single crystal x‐ray diffraction. Compound 3 exhibited the highest cytotoxic activity against 4T1 cells, with an IC50 value of 10.89 µM. In addition, compound 3 significantly induced the apoptosis of 4T1 cells at the concentration of 20 µM. Further anticancer study showed that compound 3 distinctly increased the production of intracellular reactive oxygen species.
Parallel Wire Approach for Recanalisation of Chronic Total Coronary Occlusions in a Large Contemporary Multi‐Center Registry
Authors: Werner Gerald S. , Rathore Sudhir , Avran Alexandre , Garbo Roberto , Galassi Alfredo R. , Lauer Bernward , Dalibor Jörg , Boudou Nicolas , Gorgulu Sevket , Weber‐Albers Joachim , Arenz Juergen , Leroy Fabrice , Lapp Harald , Goktekin Omer , Ayoub Mohamed , La Manna Alessio , Gasparini Gabriele , Bryniarski Leszek , Dens Jo , Bufe Alexander , Wojcik Jaroslaw , Mashayekhi Kambis ,   for the ERCTO contributors
Published: December 2024

ABSTRACTBackgroundThe parallel wire technique (PW) is a classic part of the antegrade strategy to open chronic total coronary occlusions (CTO).AimsWith modern wires and dual‐lumen catheters (DLC) the approach has evolved, but this progress had not been evaluated in a contemporary registry of CTO interventions.MethodThis analysis is based on 26,589 CTO procedures performed by 36 operators with > 50 procedures annually between 2015 and 2022. The different strategies and techniques were analyzed with respect to clinical and lesion characteristics, procedural resource use and periprocedural complications. Within the antegrade approach, PW was compared to antegrade wire escalation (AWE) and antegrade‐dissection re‐entry (ADR).ResultsThe primary antegrade approach was used in 65.9%, primary retrograde in 16.9% and a strategy change in 17.2% with a wide inter‐operator variability. In primary antegrade approach, PW was applied in 10.8% and ADR in 5.3%. Lesion complexity was higher in AWE and PW than with single wire, and highest in ADR procedures, leading to more complex procedures with higher contrast and radiation usage. Complications increased with ADR, while they were similar with PW and AWE. Through the observation period PW adoption increased steadily from 6.7% to 10.7%, as the DLC use facilitating PW increased from 8.3% to 17.0% over the observation period.ConclusionIn this largest database of contemporary CTO PCI from Europe, PW adoption increased over time but remained low at about 10%. While there was a wide individual variety among the operators, it was a safe and successful technique.
Electrocatalytic Stability Over Ruthenium‐Based Catalysts for Proton Exchange Membrane Water Electrolysis
Authors: Zhang Yu , Huang Wenwen , Wei Hehe 
Published: December 2024

AbstractAchieving large‐scale, low‐cost hydrogen production through proton exchange membrane water electrolysis (PEMWE) is a key strategic direction in the energy revolution. However, the high potential of oxygen evolution reaction (OER) and the acidic environment seriously limit the hydrogen production efficiency. RuO2‐based catalysts have garnered significant attention due to their unique electronic structure and exceptional activity in the OER. Nevertheless, their durability remains insufficient for long‐term PEMWE and hydrogen generation. This paper explores the fundamental causes of catalyst degradation and strategies to enhance the catalyst stability under different reaction pathways. Additionally, the importance of PEMWE components, including bipolar plates and membrane electrode assemblies, in improving system stability and efficiency is emphasized, highlighting their role in large‐scale applications of PEMWE. Looking forward, research efforts should prioritize the optimization of both catalysts and system components to achieve a balance between the performance, cost, and long‐term durability. By addressing these factors, we can unlock the full potential of PEMWE technology and make hydrogen a viable, large‐scale solution for clean energy production.
Electrocatalytic CO Reduction to Produce Long‐chain Products Through Fischer‐Tropsch Pathway
Authors: Cao Bo , Li Fu‐Zhi , Han Songbai , Xu Qiang , Gu Jun 
Published: December 2024

AbstractElectrocatalytic CO reduction (COR) is a promising approach for converting C1 feedstock into valuable multi‐carbon fuels using renewable electricity. At ambient temperature, COR, particularly on Cu‐based catalysts, typically produces C2 chemicals as the dominant products, with long‐chain hydrocarbons containing more than five carbon atoms rarely forming. In contrast, Fischer‐Tropsch synthesis (FTS), a thermocatalytic process converting CO and H2, selectively generates long‐chain hydrocarbons. In this study, we utilized Ru nanoparticles for electrochemical COR under elevated conditions (423 K and 2.8 MPa). Long‐chain products with up to 21 carbon atoms were detected, achieving a Faradaic efficiency of 32 % and a weight selectivity of 65 % for C5+ products. We propose an FTS‐like pathway for this electrocatalytic process. Unlike thermocatalytic FTS, where adsorbed H atoms form via H2 dissociation, in this electrocatalytic version, the H atoms are generated through the Volmer reaction from water. Subsequently, the chemisorbed and activated CO species are hydrogenated, forming CHx intermediates that propagate into long‐chain products.
Vertical channels enable excellent lithium storage kinetics and cycling stability in silicon/carbon thick electrode
Authors: Zhang Wen , Zhang Zihan , Wang Xinxin , Li Wanming , Chen Qin , Zhong Wangting , Wei Junhong , Chen Zihe , Tu Shuibin , Wang Xiancheng , Tan Yuchen , Zhang Yun , Li Huiqiao , Sun Yongming , Zhou Huamin , Yang Hui 
Published: December 2024

AbstractConstructing silicon (Si)‐based composite electrodes that possess high energy density, long cycle life, and fast charging capability simultaneously is critical for the development of high performance lithium‐ion batteries for mitigating range anxiety and slow charging issues in new energy vehicles. Herein, a thick silicon/carbon composite electrode with vertically aligned channels in the thickness direction (VC‐SC) is constructed by employing a bubble formation method. Both experimental characterizations and theoretical simulations confirm that the obtained vertical channel structure can effectively address the problem of sluggish ion transport caused by high tortuosity in conventional thick electrodes, conspicuously enhance reaction kinetics, reduce polarization and side reactions, mitigate stress, increase the utilization of active materials, and promote cycling stability of the thick electrode. Consequently, when paired with LiNi0.6Co0.2Mn0.2O2 (NCM622), the VC‐SC||NCM622 pouch type full cell (~6.0 mAh cm−2) exhibits significantly improved rate performance and capacity retention compared with the SC||NCM622 full cell with the conventional silicon/carbon composite electrode without channels (SC) as the anode. The assembled VC‐SC||NCM622 pouch full cell with a high energy density of 490.3 Wh kg−1 also reveals a remarkable fast charging capability at a high current density of 2.0 mA cm−2, with a capacity retention of 72.0% after 500 cycles.
Utilizing Alkyne‐Nitrone Cycloaddition for the Convenient Multi‐Component Assembly of Protein Degraders and Biological Probes
Authors: Lin Shiou‐Ting , Wang Chien‐Hua , Chen Ai‐Lin , Andrew Wang Tsung‐Shing 
Published: December 2024

AbstractProteolysis‐targeting chimeras (PROTACs) have become a popular therapeutic strategy, and the development of multi‐functional PROTACs has added complexity to their synthetic process. Although click reactions have been widely applied to prepare highly functionalized biomolecules, most of them are limited to two‐component reactions, restricting the creation of more complex structures. Here, we developed a convenient multi‐component assembly strategy via strain‐promoted alkyne–nitrone cycloaddition (SPANC), which can be extended to a 3‐component reaction when combined with nitrone formation. Using the 2‐component assembly, we demonstrated the targeted protein degradation with both preassembled and in‐cell assembled PROTACs. This strategy was also applied to facilitate the screening of E3 ligases in PROTACs and the preparation of various biological probes. Moreover, the 3‐component assembly, via sequential nitrone formation and SPANC, enabled the synthesis of trifunctional 3‐component PROTACs. The N‐substituent, serving as an additional functional moiety, was designed as a photocage for sterically controlling PROTAC activity. The 3‐component assembly can be further modified to provide additional control or enhance the cell‐targeting ability of PROTACs. In short, our multi‐component SPANC assembly strategy offers a modular and versatile synthetic platform for creating multi‐functional PROTACs and biological probes.
Facile Fabrication of Novel S‐scheme Ag3PO4/g‐C3N4/Zeolite Photocatalyst for Boosting Photocatalytic Tetracycline Degradation and Hydrogen Production
Authors: Gao Sihang , Li Rui , Zhu Qiuli , Gao Dengzheng , Guo Qingbin , Wang Li , Hu Xiaolong , Song Junying 
Published: December 2024

AbstractThis study presents a novel ternary Ag3PO4/g‐C3N4/zeolite composite for photocatalytic H2 production and TC degradation through S‐scheme electron transport. The S‐scheme Ag3PO4/g‐C3N4 heterojunction was successfully constructed on zeolite surface through calcination and precipitation processes. The results indicated that Ag3PO4/g‐C3N4/zeolite‐50 % presented dramatically enhanced photocatalytic TC degradation performance, and the TC degradation efficiency was up to 92.86 % in 180 min under visible light. The corresponding reaction rate constant was 0.01205 min−1 which was 2.18 and 7.48 times greater than those of pure Ag3PO4 (0.00554 min−1) and g‐C3N4 (0.00161 min−1), respectively. Meanwhile, the highest H2 production rate (2748.6 μmol g−1 h−1) was achieved over Ag3PO4/g‐C3N4/zeolite‐50 % under simulated solar light which was around 26.5 and 5.6 times higher than that of g‐C3N4 and Ag3PO4, respectively. The enhanced photocatalytic activity of the ternary composite was mainly due to the synergistic effect of S‐scheme Ag3PO4/g‐C3N4 heterojunction and zeolite support which endowed the composite with excellent adsorption activity, enhanced light response ability, and efficient separation of photoinduced carriers. TC degradation mechanism and pathways were proposed based on quenching experiment and HPLC‐MS results. Overall, this study proposes a promising strategy for significantly improving photocatalytic activity and applying in photocatalytic pollutant degradation and hydrogen production.
A Stable Carbon‐Centered Radical Showing Six Amphoteric Redox States
Authors: Acan Ali S. , Wenzel Jonas O. , Breher Frank , Podlech Joachim 
Published: December 2024

AbstractAn air‐ and moisture‐stable hydrocarbon radical with four six‐ and three five‐membered rings alternately fused to a heptacycle was obtained by ortho fusion in a suitably ortho,ortho’‐substituted diphenylfluorene and subsequent re‐establishment of the conjugation. The radical was obtained in five consecutive steps from commercially available starting materials with a total yield of 34 %; key steps are Suzuki couplings and cyclizing SEAr reactions. Mesityl substituents at the five‐membered rings ensure the stability of the radical. This cyclopenta‐fused polyaromatic hydrocarbon (CP‐PAH) was characterized by EPR and UV/Vis spectroscopy and by cyclic voltammetry. Quantum chemical calculation disclosed further properties and led to simulated spectra (spin densities, aromaticity, orbital energies, and UV/Vis/NIR). This radical is best described with the unpaired electron centered in the outer five‐membered rings; these resonance formulas show the largest number of fully intact benzene rings. Its triradical character was computed to be very small and can be neglected. The five‐membered rings show notable antiaromatic character, especially in the central ring. The constitution of the radical could be further substantiated by X‐ray crystallographic analysis of its direct precursor.
Generate and Analyze Three‐Dimensional Dendritic Spine Morphology Datasets With SpineTool Software
Authors: Ustinova Anita , Volkova Ekaterina , Rakovskaya Anastasiya , Smirnova Daria , Korovina Olesya , Pchitskaya Ekaterina 
Published: December 2024

AbstractDendritic spine morphology is associated with the current state of the synapse and neuron, and changes during synaptic plasticity in response to stimulus. At the same time, dendritic spine alterations are reported during various neurodegenerative and neurodevelopmental disorders and other brain states. Accurate and informative analysis of spine shape has an urgent need for studying the synaptic processes and molecular pathways in normal and pathological conditions, and for testing synapto‐protective strategies during preclinical studies. Primary neuronal cultures enable high quality imaging of dendritic spines and offer a wide spectrum of accessible experimental manipulations. This article outlines the protocol for isolating, culturing, fluorescent labeling, and imaging of mouse primary hippocampal neurons by three‐dimensional (3D) confocal microscopy in a normal state and in conditions of low amyloid toxicity—an in vitro model of Alzheimer's disease. An alternate protocol describes the neuronal morphology analysis using the EGFP expressing neurons in line‐M transgenic mouse brain slices. Since the dendritic spines are relatively small structures lying close to the confocal microscope resolution limit, their proper segmentation on the images is challenging. This protocol highlights the image‐preprocessing steps, including generation of theoretical point spread function and deconvolution, which enhances resolution and removes noise, thereby enhancing the 3D spine reconstruction results. SpineTool, an open source Python–based script, enables 3D segmentation of dendrites and spines and numerical metric calculation, including key measures, such as spine length, volume, and surface area, with a new feature, the chord length distribution histogram, improving clustering results. SpineTool supports both manual and machine learning spine classification (i.e., mushroom, thin, stubby, filopodia) and automated clustering using k‐means and DBSCAN methods. This protocol provides detailed instructions for using SpineTool to analyze and classify dendritic spines in control and experimental groups, enhancing our understanding of spine morphology across different experimental conditions. © 2024 Wiley Periodicals LLC.Basic Protocol 1: Obtaining 3D confocal dendritic spine images of hippocampal neuronal culture in normal state and conditions of low amyloid toxicityAlternate Protocol: Obtaining confocal dendritic spine images of mice hippocampal neurons from fixed brain slicesSupport Protocol: Post‐processing deconvolution of confocal imagesBasic Protocol 2: Segmentation of dendritic spines with SpineToolBasic Protocol 3: Spine dataset preparation using SpineToolBasic Protocol 4: Clustering of dendritic spines with SpineToolBasic Protocol 5: Machine classification of dendritic spines with SpineTool
Optimized Distance Vector Hop Localization Based on Pelican Optimization Algorithm in Underwater Wireless Sensor Networks
Authors: Nanthakumar Sathish , Jothilakshmi P. 
Published: December 2024

ABSTRACTIn recent days, underwater exploration has emerged as one of the most predominant technologies for enhancing surveillance and early warning systems. Finding the location of the nodes placed in underwater is a difficult task owing to its harsh underwater environment. In large underwater wireless sensor networks (UWSNs), pinpointing the exact coordinates of sensor nodes may not be feasible or be incredibly expensive. In most of the applications, the coarse coordinate of the node is adequate. The primary technique used in UWSNs to determine the location of sensor nodes, based on the average distance between hops, is referred to as distance vector‐hop (DV‐Hop) localization. Nevertheless, the positioning accuracy in the classic DV‐Hop technique is influenced by the average hop distance. To reduce the localization error, it is possible to create a distinct and optimized DV‐Hop approach. To improve the effectiveness of the localization process, the average distance between hops is primarily used as an objective function. The optimization of this objective function is achieved by employing the Pelican Optimization Algorithm (POA). There is a noticeable decrease in the localization discrepancy if the optimized average hop distance is used to precisely determine the unidentified node to the anchor node distance among them. The factors used to evaluate the ability of the proposed methodology are the ratio of anchor, transmission range, and the density of the node. Compared to other localization procedures, the obtained outcomes demonstrate that the optimized approach that has been suggested achieves a low localization error of 0.3.
Impact of neighborhood disadvantage on cardiometabolic health and cognition in a community‐dwelling cohort
Authors: Krishnamurthy Sudarshan , Lu Lingyi , Johnson Christian J. , Baker Laura D. , Leng Xiaoyan , Gaussoin Sarah A. , Hughes Timothy M. , Ma Da , Caban‐Holt Allison , Byrd Goldie S. , Craft Suzanne , Lockhart Samuel N. , Bateman James R. 
Published: December 2024

AbstractINTRODUCTIONNeighborhood disadvantage may be an important determinant of cardiometabolic health and cognitive aging. However, less is known about relationships among individuals with mild cognitive impairment (MCI).METHODSThe objective of this study is to investigate the relationship between neighborhood disadvantage measured by national Area Deprivation Index (ADI) rank with measures of cardiometabolic health and cognition among Wake Forest (WF) Alzheimer's Disease Research Center (ADRC) participants, with and without MCI.RESULTSADI was positively associated with blood pressure and cardiometabolic index (CMI), and negatively associated with global and Preclinical Alzheimer's Cognitive Composite (PACC5) scores, in cognitively unimpaired (CU) individuals. ADI was only positively associated with hemoglobin A1c (HbA1c) in MCI.DISCUSSIONNeighborhood disadvantage is associated more strongly with measures of cardiometabolic health and cognition among CU individuals rather than MCI. These findings demonstrate a need for structural solutions to address social determinants of health in an attempt to reduce cardiometabolic and cognitive risks.
A new tool to quantify biodiversity change under landscape transformation
Authors: Hilário Renato Richard , Carvalho William Douglas , Xavier Bruna Da Silva , Palmeirim Jorge M. , Vieira Marcus Vinícius , Mustin Karen , Cardoso Pedro 
Published: December 2024

AbstractIdentifying how species richness or diversity changes with different proportions of natural and anthropized environments in the landscape is important for landscape management for conservation. Here, we propose a new method to assess biodiversity changes in landscapes with varying proportions of habitat types. The algorithm is based on the resampling of individuals recorded in different habitats considering both the proportion occupied by each habitat in the landscape and the number of individuals recorded in each habitat. The diversity is assessed based on the sampled individuals. If a functional/phylogenetic tree or distance matrix is provided, the function returns the functional or phylogenetic richness values. This procedure is replicated a number of times with different proportions of each of the habitats in the landscape. Our method copes with two or more habitat types in the landscape and works with taxonomic, functional, and phylogenetic diversities. We tested our method using 10 different simulated scenarios and one empirical dataset with bats (Chiroptera) to assess whether they behaved as expected. Our method performed as expected in all scenarios and in the empirical dataset (considering also the functional and phylogenetic diversities in this latter case). The possibility of working with more than two habitat types and with different dimensions of diversity (i.e., functional and phylogenetic diversity) is a major advantage of the new method. We show that this is a valuable tool to assess biodiversity changes in the context of landscape planning, helping to promote more sustainable landscapes often composed of multiple habitat types with mixed biodiversity composition.