bluuebunny/crossref_metadata_2025_split huggingface dataset:
Supramolecular Preorganization of Amine‐functionalized Diacetylene Monomers in their Crystals Allows their Topochemical Polymerization to Polydiacetylenes Capable of CO2 Capture
Authors: Lal Anu , Raju Cijil , Sureshan Kana M. 
Published: January 2025

AbstractWe designed and synthesized three diacetylene monomers M1‐M3 having two NH2 groups. As anticipated, the NH2 groups aided the preorganization of these monomers by N−H…N hydrogen bonding. In the crystals of monomer M1 and M2, the intermolecular N−H…N hydrogen bonding preorganized the diyne units in an orientation suitable for their topochemical polymerization, but in the case of monomer M3, the distance was slightly larger than that recommended for the topochemical reaction. However, upon heating, all the three monomers underwent topochemical polymerization to yield polydiacetylenes P1‐P3 respectively. All three polymers have been characterized using PXRD, Raman, MALDI‐TOF and solid‐state UV spectroscopy. Furthermore, we investigated the abilities of these amine‐functionalized polymers to capture CO2 gas. Polymer P1, which had a larger surface area, demonstrated the highest CO2 adsorption capacity of 1.28 mmol g−1 at 273 K and 1 bar, compared to the other two polymers.
Electrochemical N–H Methylsulfoxidation of Sulfoximines with DMSO
Authors: Zhu Qing‐Ru , Liu Gen , Wang Yongxiang , Xiao Zhubing , Gao Hui , Wang Pei‐Long 
Published: January 2025

Comprehensive SummaryThe N–H methylsulfoxidation of sulfoximines using DMSO as a methylsulfinyl source, induced by electrochemistry, has been developed. This method is the first example of an electrochemical reaction in which DMSO serves as a methylsulfinyl source. Unlike previous electrochemical reactions involving DMSO as a substrate, which exclusively proceed via radical mechanisms, this reaction follows an S‐cation pathway. A wide range of N‐methylsulfinyl sulfoximines were successfully obtained.
Aggregation‐Dependent Polymer Photochromism via Double Intramolecular Hydrogen Bonds from Excited State Intramolecular Proton Transfer
Authors: Zhou Jingyuan , Hu Huan , Chen Mingzhi , Li Yongjie , Cheng Xin , Ma Zhimin , Hu Shui , Ma Zhiyong 
Published: January 2025

Comprehensive SummaryExcited‐state intramolecular proton transfer (ESIPT) involves photochemical tautomerization between two excited states (E* and K*) via intramolecular proton transfer. Developing polymer photochromism based on the photochemical tautomerization of organic ESIPT molecules has been rarely reported. We report the ESIPT molecule HBT‐2OH exhibits concentration‐dependent photochromic behavior in a polyurethane (PU) network. At low concentrations, HBT‐2OH primarily exists in the trans‐enol configuration without intramolecular OH···N hydrogen bonds in PU, emitting blue fluorescence at ~464 nm (enol emission). Upon UV irradiation, the dihedral angle between the proton donor and acceptor twists to form an intramolecular OH···N H‐bond, converting trans‐enol to cis‐enol and resulting in ESIPT with pale yellow fluorescence at ~603 nm (keto emission). The photochromic effect of HBT‐2OH@PU diminishes at high concentrations due to that aggregation favors the cis‐enol form. Control molecules HBT, HBO‐2OH, and HBI‐2OH show no photochromism in PU, confirming that ethanolyl branches and intramolecular OH···S hydrogen bonds stabilize the trans‐enol configuration of HBT‐2OH. Incorporating these molecules into PMMA and PCL networks demonstrates that increased free volume and smaller aggregates enhance photochromism by reducing resistance to dihedral angle twisting. Density functional theory (DFT) calculations further confirm stable intramolecular heteroatomic hydrogen bonds (OH···S) exist in HBT‐2OH. This study offers new theoretical insights and opens avenues for research on polymer based photochromic materials.
Neratinib and the Role of Anti‐HER2 Therapy in Salivary Duct Carcinoma
Authors: Napolitano Martina , Trudu Lucia , Martinelli Enrica , Santini Chiara , Dominici Massimo , Bertolini Federica 
Published: January 2025

ABSTRACTBackgroudSalivary duct carcinoma (SDC) is a rare and aggressive malignancy with a generally dismal prognosis and no standard of care established, despite a known association with epidermal growth factor receptor 2 (HER2) and androgen receptor (AR) over‐expression.CaseWe report the case of a 64‐year‐old female with extra‐ and intracranial metastases of SDC with evidence of AR and HER2 overexpression. After progression on first line chemotherapy, was administered neratinib, a pan‐Erb2 receptor tyrosine kinase inhibitor.Even with central nervous system involvement at diagnosis, a durable clinical response was obtained with a PFS of 11 months and no significant toxicities to manage. Best response observed during tratment was partial response.ConclusionsThis case confirms the potential efficacy of neratinib in HER2‐positive SDC and underlines the need to define the best therapeutic sequence and potential biomarkers for these rare patients.
A Novel Approach to Integer Factorization: A Paradigm in Cryptography
Authors: Ilkhom Boykuziev , Khan Angshuman , Das Rupayan , Abdurakhimov Bakhtiyor 
Published: January 2025

ABSTRACTThis article proposes a solution to the factorization problem in cryptographic systems by leveraging the steps of the Toom‐Cook algorithm for large‐number multiplication. This approach can factor a 200‐bit number, with performance varying depending on memory and processing power. Experiments demonstrate that the factorization problem in cryptography can be solved more efficiently by employing algorithms designed for fast and straightforward multiplication of large numbers. Examples include the Schönhage–Strassen algorithm, which is based on polynomials and Fourier transforms, the Fürer algorithm, the second Schönhage–Strassen algorithm using modular arithmetic, and Karatsuba's algorithm. This advancement significantly impacts modern computing and cryptography, enhancing both security and reliability. The proposed technique was extensively tested through simulations using the MATLAB simulator. Experimental results indicate improvements of 91% in efficiency and 95% in accuracy compared to state‐of‐the‐art techniques.
Density Peak Clustering Algorithm Based on Shared Neighbors and Natural Neighbors and Analysis of Electricity Consumption Patterns
Authors: Li Qingpeng , Hu Xinyue , Zhao Jia , Cao Hao 
Published: January 2025

ABSTRACTThe Density Peaks Clustering (DPC) algorithm is well‐known for its simplicity and efficiency in clustering data of arbitrary shapes. However, it faces challenges such as inconsistent local density definitions and sample assignment errors. This paper introduces the Shared Neighbors and Natural Neighbors Density Peaks Clustering (SN‐DPC) algorithm to address these issues. SN‐DPC redefines local density by incorporating weighted shared neighbors, which enhances the density contribution from distant samples and provides a better representation of the data distribution. It also establishes a new similarity measure between samples using shared and natural neighbors, which increases intra‐cluster similarity and reduces assignment errors, thereby improving clustering performance. Compared with DPC‐CE, IDPC‐FA, DPCSA, FNDPC, and traditional DPC, SN‐DPC demonstrated superior effectiveness on both synthetic and real datasets. When applied to the analysis of electricity consumption patterns, it more accurately identified load consumption patterns and usage habits.
Pulsed‐Current Operation Enhances H2O2 Production on a Boron‐Doped Diamond Mesh Anode in a Zero‐Gap PEM Electrolyzer
Authors: Vass Adam , Göltz Maximilian , Ghanem Hanadi , Rosiwal Stefan , Franken Tanja , Palkovits Regina , Mul Guido , Tsampas Mihalis N. , Katsoukis Georgios , Altomare Marco 
Published: January 2025

AbstractA niobium (Nb) mesh electrode was coated with boron‐doped diamond (BDD) using chemical vapor deposition in a custom‐built hot‐filament reactor. The BDD‐functionalized mesh was tested in a zero‐gap electrolysis configuration and evaluated for the anodic formation of H2O2 by selective oxidation of water, including the analysis of the effects on Faradaic efficiency towards H2O2
induced by pulsed electrolysis. A low electrolyte flow rate (
) was found to result in a relatively high concentration of H2O2 in single‐pass electrolysis experiments. Regarding pulsed electrolysis, we show an optimal ratio of on‐time to off‐time to obtain the highest concentration of H2O2. Off‐times that are “too short” result in decreased
, whereas “too long” off‐times dilute the product in the electrolyte stream. Using our electrolyzer setup with an anodic pulse of 2 s with 4 s intervals, and a
of 0.75 cm3 min−1, resulted in the best performance. This adjustment increased the
by 70 % compared to constant current electrolysis, at industrially relevant current densities (150 mA cm−2). Fine tuning of BDD morphology, flow patterns, and anolyte composition might further increase the performance of zero‐gap electrolyzers in pulsed operation modes.
Effect of the Electrolyte on the Oxygen Reduction Reaction with a MOF Embedded Co‐Porphyrin
Authors: Rademaker Dana , Tanase Stefania , Hetterscheid Dennis G. H. 
Published: January 2025

AbstractElectrocatalysis in metal‐organic frameworks is an interplay between the diffusion of charges, the intrinsic catalytic rate, and the mass‐transport of reactants through the pores. Here a systematic study is carried out to investigate the role of the electrolyte nature and concentration on the oxygen reduction reaction (ORR) with the PCN‐224(Co) MOF in aqueous electrolyte. It was found that the ORR activity is slightly influenced by the nature of the ions in solution, providing that the ionic strength is high enough to minimize the resistivity during the measurement. The ORR activity was found to be 1.3–1.5 times lower in lithium acetate compared to sodium acetate, while the ORR activity in cesium acetate was 1.3–1.6 times higher compared to the activity in sodium acetate. Moreover, there was no dependency found of the ORR catalysis on the size of the anion, buffer concentration, or oxygen concentration. These findings suggest that ORR catalysis in PCN‐224(Co) is limited by the intrinsic ORR rate at the active site rather than charge transport through the porous structure or substrate transport in the pores. Therefore, optimization of ORR catalysis with this MOF might be achieved by the optimization of the electronics at the cobalt active site.
Ensuring Secure Transmission in VANET: Optimal Clustering and Improved LSTM‐Based Intrusion Detection
Authors: Dalal Kusum 
Published: January 2025

ABSTRACTVANETs are essential for future intelligent transportation systems, enabling communication among vehicles and infrastructure. However, their decentralized nature presents significant security challenges. This paper proposes a holistic framework to address these issues, comprising three components. First, the Self‐Improved Kookaburra Optimization Algorithm (SIKOA) optimizes cluster formation by considering trust, mobility patterns, and link lifetime, enhancing network efficiency and resilience. Second, an Improved Long Short‐Term Memory (LSTM) model is introduced for intrusion detection, incorporating link quality and trust metrics to minimize false positives. Finally, an Improved Blowfish Algorithm is applied for data encryption, ensuring confidentiality and integrity. Experimental results in simulated VANET environments show that the proposed framework outperforms existing solutions in terms of detection accuracy, computational efficiency, and attack resilience.
An Energy Efficient Multi‐Level Clustering and Optimized Path Planning With Data Fusion (EEMLC‐OPPDF) for Autonomous Underwater Vehicles (AUVs) in Underwater Wireless Sensor Networks
Authors: V Nancy Siron Santhiya , Simon Judy 
Published: January 2025

ABSTRACTThe major network elements of underwater wireless sensor networks (UWSNs) are their energy‐limited sensor nodes, which are used to monitor harsh underwater environments. Ensuring UWSN sustainability and functionality necessitates reducing the energy constraints of these nodes. Continuous data collection and transmission drastically reduce the energy sources of nodes. To address this, autonomous underwater vehicles (AUVs) are used in UWSNs to collect data from nodes, thereby reducing transmission costs and solving energy constraints. This research introduces an energy‐efficient multi‐level clustering and cluster head (CH) selection procedure, combined with an optimized path planning strategy for AUVs using the Glowworm Swarm Optimization (GSO) algorithm. Additionally, a data fusion model based on an Enhanced Back Propagation Neural Network (EBPNN) is proposed to eliminate redundant data, thus reducing the transmission load. The novel EEMLC‐OPPDF model is experimentally validated, demonstrating superior performance in terms of energy consumption and network lifetime compared to state‐of‐the‐art techniques. This work contributes a comprehensive solution to optimize energy usage and extend the operational life of UWSNs.
Reconsideration on the maximum deformation of droplets impacting on solid surfaces
Authors: Hu Zhifeng , Ran Haojiang , Shan He , Chu Fuqiang , Wang Zuankai , Wang Ruzhu 
Published: January 2025

AbstractDroplet impact on solid surfaces is widely involved in diverse applications such as spray cooling, self‐cleaning, and hydrovoltaic technology. Maximum solid‒liquid contact area yielded by droplet spreading is one key parameter determining energy conversion between droplets and surfaces. However, for the maximum deformation of impact droplets, the contact length and droplet width are usually mixed indiscriminately, resulting in unignored prediction errors in the maximum contact area. Herein, we investigate and highlight the difference between the maximum contact length and maximum droplet width. The maximum droplet width is never smaller than the maximum contact length, and the difference appears once the contact angle exceeds 90° (which becomes more significant on superhydrophobic surfaces), regardless of impact velocities, liquid viscosities, and system scales (from macroscale to nanoscale). A theoretical model analyzing the structure of the spreading rim is proposed to demonstrate and quantitatively predict the above difference, agreeing well with experimental results. Based on molecular dynamics simulations, the theoretical analysis is further extended to the scenario of nanodroplets impacting on solid surfaces. Reconsideration on the maximum deformation of impact droplets underscores the often‐overlooked yet significant difference between maximum values of contact length and droplet width, which is crucial for applications involving droplet‒interface interactions.
Statistical power and the detection of global change responses: The case of leaf production in old‐growth forests
Authors: Wright S. Joseph , Calderón Osvaldo 
Published: January 2025

AbstractForests sequester a substantial portion of anthropogenic carbon emissions. Many open questions concern how. We address two of these questions. Has leaf and fine litter production changed? And what is the contribution of old‐growth forests? We address these questions with long‐term records (≥10 years) of total, reproductive, and especially foliar fine litter production from 32 old‐growth forests. We expect increases in forest productivity associated with rising atmospheric carbon dioxide concentrations and, in cold climates, with rising temperatures. We evaluate the statistical power of our analysis using simulations of known temporal trends parameterized with sample sizes (in number of years) and levels of interannual variation observed for each record. Statistical power is inadequate to detect biologically plausible trends for records lasting less than 20 years. Modest interannual variation characterizes fine litter production, and more variable phenomena will require even longer records to evaluate global change responses with sufficient statistical power. Just four old‐growth forests have records of fine litter production lasting longer than 20 years, and these four provide no evidence for increases. Three of the four forests are in central Panama, also have long‐term records of wood production, and both components of aboveground production are unchanged over 21–38 years. The possibility that recent increases in forest productivity are limited for old‐growth forests deserves more attention.
Enhancing the Performance of Concrete Coupled Shearwall Using Shape Memory Alloys
Authors: Nasiri Hamidreza , Ghassemieh Mehdi 
Published: January 2025

ABSTRACTUtilizing self‐centering materials, such as shape memory alloys (SMA), as reinforcement in concrete structures can positively influence their performance during and after earthquakes. Despite the high cost of SMAs, their unique flag‐shaped stress–strain behavior and effective energy dissipation make them an attractive material choice in some structures. This study evaluates the application of iron‐based SMAs in enhancing the seismic performance of coupled concrete shear walls. The purpose is to identify optimal SMA placement strategies within the walls' plastic hinges to improve energy dissipation, reduce residual drift, and enhance ductility. This research explores pre‐tensioned and non‐pre‐tensioned SMA configurations through macro‐element modeling and cyclic analysis. Presenting a comparative framework that balances material efficiency and structural performance differentiates this study from prior studies focused predominantly on SMA benefits in isolated structural applications. Two optimization scenarios are proposed: maximizing energy dissipation and minimizing residual drift, and reducing SMA usage while maintaining structural efficiency. The results indicate that pre‐tensioned SMAs in the wall web provide the most significant improvement in seismic behavior, significantly reducing residual drift and increasing ductility. This approach offers a cost‐effective solution for improving earthquake resilience in structures.
Monte–Carlo Techniques Applied to CGH Generation Processes and Their Impact on the Image Quality Obtained
Authors: Magallón Juan A. , Blesa Alfonso , Serón Francisco J. 
Published: January 2025

ABSTRACTComputer graphics aim to create visual representations for screens, where depth is simulated. In contrast, Computed Generated Holograms (CGH) focus on encoding and recreating light patterns to generate a true 3D holographic image that appears as a physical object in space. Therefore, although both use digital models, the computation of CGHs necessitates additional phase‐related calculations, which in turn escalate computational demands. These calculations often result in excessively long development times or, at worst, render the process unfeasible. In order to reduce computational time, Partial Monte–Carlo Sampling (PMCS) techniques for CGH generation are presented, integrating them into the whole process of generating a CGH for a synthetic 3D scene, from design to rendering. PMCS is based on the random choice of a subset of rays used to compute the CGH and relates the computation time spent to the quality of the reconstructed scene. Quantitative analysis shows that PMCS does not significantly compromise image quality. Both simulated and in‐laboratory image reconstruction from holograms demonstrates consistent trends, showcasing improved quality with higher numbers of rays and increased resolution. Furthermore, we establish a direct relationship between image quality and computational time, which effectively addresses specific requirements.
Impact of Current Collectors on the Electrochemical Performance of Pseudocapacitive Material: Sr2FeCoO6
Authors: Kumar Pramod , Verma Harish , Mittal Aayush , Bhattacharya Bhaskar , Upadhyay Shail 
Published: January 2025

ABSTRACTThis work reports the synthesis of Sr2FeCoO6, double perovskite, via a wet chemical method. X‐ray diffraction (XRD) analysis and Rietveld refinement confirmed the successful formation of pure, single‐phase perovskite structure with the space group. The Raman spectrum showed minor peaks, suggesting structural distortions likely caused by defects. Transmission electron microscopy (TEM) revealed irregularly shaped polycrystalline particles, while Brunauer–Emmett–Teller (BET) analysis indicated an average surface area of 3.01 m2/g and a pore diameter of 37.8 nm. Current collectors, namely, carbon Toray paper, carbon cloth, nickel foam, and nickel strip, were selected to evaluate the electrochemical properties of Sr2FeCoO6. The morphology of the current collectors was captured using a scanning electron microscope (SEM). The electrochemical performance of bare and loaded (with Sr2FeCoO6) current collectors was assessed under similar measurement conditions. The high specific capacitance of the sample is observed over the carbon cloth and nickel foam to be 105.7 and 93.3 F/g, respectively, while bare carbon cloth shows very high capacitance. By comparing the performance of different current collectors, we have identified the key factors influencing the material's performance. This study will enhance our understanding of its potential applications in energy storage and other pertinent areas.
Ce‐Yb Fingerprinting of Phanerozoic Volcanic Rocks and Its Applicability to Some Archean Greenstone Belt Magmas
Authors: Baidya Subarna , Anand Rajagopal , Bose Swayoma , Singh Nongmaithem Lakhan 
Published: January 2025

ABSTRACTRare earth element fractionation in volcanic rocks can be used to recognise both petrogenetic processes and tectonic settings. We present a simple geochemical modelling approach using CeYb proxy employing the Magma Chamber Simulator tool and the binary mixing model to understand the range and the limits of variation in the enrichment of incompatible trace elements, brought about in evolved magmas by differentiation processes in known Phanerozoic tectonic settings in conjunction with the ThNbYb proxy. By extending this approach to the volcanic rocks of the Meso‐Neoarchean greenstone belts it is observed that rocks, which fall beyond the limits set by binary mixing and fractional crystallisation in a bivariant trace element plot were most likely generated by the modification of the mantle source by subducting slab‐derived fluids prior to the melting of the source and the diversification of the magmas into differentiated rocks. Subduction–accretion process was established at least by the Meso‐Neoarchean. The greenstone belts of the Dharwar and Yilgarn cratons represent Archean analogues of oceanic crust that were predominantly emplaced in a convergent‐margin tectonic setting and probably acted as suture zones that juxtaposed continental crustal masses by horizontal tectonic forces.