bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of Ti Doping on the Structural, Electronic, Optical and Thermoelectric Properties of ZrO2: A Systematic DFT Approach
Authors: Jawad Muhammad , Azam Sikander , Rahman Amin Ur , Mirza Shafaat Hussain , Amin Noor ul , Shakoor Abdul , Faizan Muhammad
Published: January 2025

In this work, the density functional theory (DFT) calculations in wien2k code to investigate the effect of (Titanium) Ti doping (25% and 50%) in ZrO2 is utilized. The negative values of the Ef, i.e., −2.14, −3.42 and −2.31 as well as energy versus volume curves show the stability of pure, 25% and 50% doped ZrO2. From band structure and density of states results it is confirmed that upon doping Ti, the band gap of ZrO2 become direct from indirect and reduces from 3.10 eV to 1.26(25% doped)/1.16(50% doped). The optical investigations reveal that incorporation of Ti improved the optical properties significantly, which show the significance of these materials for optoelectronic device applications. The thermoelectric properties are investigated using the Boltzmann transport theory. The Seebeck coefficient, electronic conductivity, thermal conductivity, power factor and figure of merit is calculated. The obtained results show that the under study compounds are best candidates for different thermoelectric applications.
An Assessment of Blended Short Loop Recycled Graphite Electrodes Using X‐Ray Micro‐Computed Tomography
Authors: Scott Sean , Du Wenjia , Horwood Rosie , Lei Chunhong , Shearing Paul , Abbott Andrew P.
Published: January 2025

With various battery directives necessitating the composition of recycled electrode materials this study manufactures anodes containing various ratios of pristine and reclaimed graphite from end‐of‐life (EOL) cells. Two approaches that can be used to delaminate graphite are using ultrasonication (USD) and simple water delamination (WD). X‐ray micro‐computed tomography is used to characterize the graphite particles and show that particle fracturing is evident with both methods, but key structural metrics such as particle radius and diffusivity varied significantly. It is shown that blending 20% recovers material with 80% pristine graphite causes no statistically significant difference in the performance of the cells. This suggests that recycling anode materials can be achieved without significant post‐processing required. For WD anode material, the spherical graphite particles are maintained, whereas USD significantly changes the morphology and produces a large amount of “needle‐like” particles. Using 100% reclaimed anode material causes the performance of the cell to decrease to 279 mAh g−1 for WD material and 254 mAh g−1 for USD graphite. The use of “blended” electrodes using WD graphite and pristine material creates electrodes with a comparable Li+ flux and electrochemical performance to a pristine graphite reference of 300–315 mAh g−1.
Tailoring the Electron and Phonon Transport in Metavalently Bonded GeTe by Stepwise Doping
Authors: Liu Ming , Guo Muchun , Yang Yuxuan , Dong Xingyan , Lyu Haiyan , Lai Yingda , Zhang Yang , Zhu Yuke , Wu Hao , Guo Fengkai , Liu Zihang , Cai Wei , Wuttig Matthias , Wu Haijun , Yu Yuan , Sui Jiehe
Published: January 2025

The intertwining between thermal and electrical transport poses significant challenges to enhancing thermoelectric performance. Chemical doping with a single element often can optimize one of the parameters yet may deteriorate others, restricting the upper limit of ZT achievable. Multi‐element doping can address this interdependence, allowing for simultaneous optimization of electrical and thermal properties. However, a clear selection rule for multiple dopants remains unclear. Here, a stepwise strategy is shown to improve the thermoelectric performance of metavalently bonded GeTe by enhancing density‐of‐states effective mass, increasing carrier mobility, and reducing thermal conductivity. These effects are realized by continuously introducing band convergence, lattice plainification, and structural defects. Specifically, band convergence is achieved by Cd doping to reduce the energy offset between light and heavy bands. The lattice plainification is enabled by filling Ge vacancies with Cu, which improves carrier mobility. Lastly, the lattice thermal conductivity is reduced via increasing phonon scattering by point defects caused by Pb doping and nanoprecipitates associated with all these dopants. Consequently, a peak ZT of 2.2 at 773 K and an average ZTave of 1.27 within 300–773 K are realized in Ge0.86Pb0.1Cd0.04Te‐2%Cu2Te. This work provides a synergistic strategy to modulate electron and phonon transport in metavalently bonded materials.
Boosting the Mechanical Stability and Power Output of Intrinsically Stretchable Organic Photovoltaics with Stretchable Electron Transporting Layer
Authors: Bae Yurim , Park Sang Ah , Kim Sungryong , Lim Haeryang , Kim Jeongsu , Ye Long , Park Taiho
Published: January 2025

Intrinsically stretchable organic photovoltaics (IS‐OPVs) are emerging as power sources for wearable technologies, enabling seamless integration into flexible and stretchable systems. A key feature of IS‐OPVs is the potential for increased power output as the photoactive area expands during stretching. However, current mechanical performance and stability still fall short of meeting the demands for practical applications. To overcome this limitation, the study introduces, for the first time, a polymer:gel blend system as a highly stretchable electron transporting layer (ETL), which significantly enhances both the power output and mechanical stability of IS‐OPVs. This novel ETL plays a pivotal role in dissipating mechanical stress and protecting the brittle underlying layers. By incorporating this stretchable ETL, the device stretchability is reinforced by introducing the stretchable ETL, thereby maintaining the initial power conversion efficiency under 20% strain. As a result, the maximum power output substantially increases by 23%, from 0.28 to 0.35 mW, under large strain, while devices with conventionally brittle ETLs caused a 33% reduction in power output. This study thus offers a pathway toward durable and efficient stretchable photovoltaics.
Supramolecular Gels With Controllable Degradation for Suppressing Tumor Recurrence and Relieving Postoperative Pain
Authors: Lin Jiangtao , Liu Bin , Wang Quan , Duan Yi , Qiu Yijie , Wu Qi , Wang Qi , Dong Yi , Fu Hao , Wang Xinyue , Duan Yourong
Published: January 2025

Postoperative pain and tumor recurrence are critical challenges following malignant tumor resection. To address these issues, we developed a supramolecular gel delivery system loaded with ropivacaine microcrystals (RopC Gel). Using PEG400 as the solvent, we successfully screened and identified matrix materials capable of forming supramolecular hydrogels through a heating–cooling process. By strategically leveraging the hydrophilic and hydrophobic properties of the gel matrix, we controlled its mechanical strength and degradation rate by adjusting the ratio of hydrophilic to hydrophobic components, resulting in a degradable, injectable, and self‐healing gel delivery system. In both rat plantar incision and mouse tumor resection pain models, RopC Gel provided long‐lasting analgesia for up to 5 days. Notably, tumor‐resected mice treated with RopC Gel demonstrated extended survival and slower tumor progression. Further in vitro and in vivo experiments revealed that RopC Gel affects mitochondrial function by promoting the accumulation of reactive oxygen species in tumor cells, inducing pyroptosis, stimulating immunogenic cell death (ICD), and activating anti‐tumor immune responses. This work offers an innovative solution for postoperative tumor resection management. Additionally, the controllable degradation properties outlined in this study provide an efficient strategy for the controlled release of multiple drugs, with the potential for widespread clinical applications.
Planum Temporale Asymmetries in Primates: A Comparative Study in Great Apes and Monkeys
Authors: Achorn Angela M. , Mulholland Michele M. , Cox Chelsea M. , Phillips Kimberley A. , Bennett Allyson J. , Pierre Peter J. , Sherwood Chet C. , Schapiro Steven J. , Hopkins William D.
Published: January 2025

Objectives

Most human brains exhibit left hemisphere asymmetry for planum temporale (PT) surface area and gray matter volume, which is interpreted as cerebral lateralization for language. Once considered a uniquely human feature, PT asymmetries have now been documented in chimpanzees and olive baboons. The goal of the current study was to further investigate the evolution of PT asymmetries in nonhuman primates.

Materials and Methods

We measured PT surface area in chimpanzees (Pan troglodytes, n = 90), bonobos (Pan paniscus, n = 21), gorillas (Gorilla gorilla, n = 34), orangutans (Pongo spp., n = 33), olive baboons (Papio anubis, n = 105), rhesus macaques (Macaca mulatta, n = 144), and tufted capuchins (Sapajus apella, n = 29) from magnetic resonance imaging scans.

Results

Our findings reveal significant leftward biases in PT surface area among chimpanzees, gorillas, olive baboons, rhesus macaques, and capuchins. We did not find significant population‐level asymmetries among orangutans and bonobos, which could be due, in part, to small sample sizes. We also detected significant age effects for rhesus macaques only, and no significant sex effects for any species.

Discussion

The observation of a population‐level leftward bias for PT surface area among not only hominids (chimpanzees and gorillas), but also two cercopithecoids (olive baboons and rhesus macaques) and one platyrrhine (tufted capuchins) suggests that PT lateralization was likely present in some early anthropoid primate ancestors and relatives. This provides further evidence that human brains have since undergone changes to the size and connectivity of the PT in response to selection for the cognitive processes needed to support the evolution of language and speech.
Elemental Germanium Activation and Catalysis Enabled by Mechanical Force
Authors: Guo Guangqing , Zhou Jie , He Xiaochun , Li Na , Lin Nan , Zhang Xuemei , Lian Zhong
Published: January 2025

In the realm of materials science and chemical industry, germanium emerges as a strategic resource with distinctive properties that extend its applicability beyond traditional electronics and optics into the promising field of chemical catalysis. Despite its significant role in advanced technological applications, the potential of elemental germanium as a catalyst remains unexplored. Leveraging recent developments in mechanochemistry, this study introduces a groundbreaking approach to activate elemental germanium via mechanical force, facilitating the Reformatsky reaction without the reliance on external reducing agents. Meanwhile, we have also demonstrated, for the first time, the catalytic activity of elemental germanium, successfully achieving this through the bromoalkylation of alkenes. These achievements mark a significant advancement in the field of catalysis and open up a new promising avenue for both academic research and industrial applications.
Fluorescent Macrocyclic Arenes: Synthesis and Applications
Authors: Han Xiao‐Ni , Han Ying , Chen Chuan‐Feng
Published: January 2025

Fluorescent macrocyclic arenes have attracted increasing interest in macrocyclic and supramolecular chemistry due to their exceptional photophysical properties and versatile applications. Classical macrocyclic arenes modified with fluorescent groups at the upper or bottom rims have long provided valuable platforms across various fields. Recently, a large number of novel fluorescent macrocyclic arenes directly composed of polycyclic aromatic or heteroaromatic building blocks including naphthalene, anthracene, tetraphenylethene, pyrene, fluorene, carbazole, acridan, phenothiazine, coumarin, triphenylamine, benzothiadiazole and so on, have been reported, and they have shown specific fluorescent property, and also exhibited broad applications in molecular recognition, sensing, bioimaging and functional materials. In this review, we focus on the recent advances in the synthesis and applications of fluorescent macrocyclic arenes containing polycyclic aromatic or heteroaromatic skeletons emerged in the past decade. By categorizing these fluorescent macrocyclic arenes based on the different building blocks, this review provides a comprehensive summary of their synthesis, properties and applications.
CO Adsorption on a Single‐Atom Catalyst Stably Embedded in Graphene
Authors: Perilli Daniele , Chesnyak Valeria , Ugolotti Aldo , Panighel Mirco , Vigneri Stefano , Armillotta Francesco , Naderasli Pardis , Stredansky Matus , Schied Monika , Lacovig Paolo , Lizzit Silvano , Cepek Cinzia , Comelli Giovanni , Brune Harald , Africh Cristina , Di Valentin Cristiana
Published: January 2025

Confined single metal atoms in graphene‐based materials have proven to be excellent catalysts for several reactions and promising gas sensing systems. However, whether the chemical activity arises from the specific type of metal atom or is a direct consequence of the confinement itself remains unclear.
Halogenated Trityl Cations as Easy‐to‐Access Super Electrophiles
Authors: Schlögl Johanna , Brosius Amelie L. , Toraman Ahmet N. , Wiesner Anja , Steinhauer Simon , Müller Carsten , Riedel Sebastian
Published: January 2025

Herein, we present the easy‐to‐access synthesis of the perfluorotrityl cation (15F+) with commercial GaCl3 and the further functionalization of the para‐fluorine atoms of 15F+ via halodefluorination using trimethylsilyl halides TMSX (X=Cl, Br). This gives access to equally reactive halogenated trityl derivatives (p‐3Cl12F+ and p‐3Br12F+), which can be handled at room temperature. The impact of the para‐exchange on the electronic structure is determined by NMR and UV/Vis spectroscopy. Finally, the new synthons′ high hydride ion affinities are demonstrated computationally and experimentally by hydride abstraction from the short‐chain, linear alkanes n‐pentane and n‐butane.
Highly Aging‐Resistant Polybutadiene Rubber Doped With High‐Loading Antioxidant‐Loaded Titanium Carbide
Authors: Han Long , Xu Mengmeng , Wang Hairui , Zhang Hongyu , Hua Jing , Zong Chengzhong
Published: January 2025

The loading of antioxidants onto inorganic fillers is a vital method for preventing the migration of rubber antioxidants. However, the loading rate is not ideal, which has been a persistent problem for scholars in this field. In this work, the mussel‐based strategy was used to coat titanium carbide (Ti3C2) surfaces with polydopamine (PDA). The amino group on the antioxidant 4‐aminodiphenylamine (RT) is opened with the epoxy group on the silane coupling agent KH560, while the phenol hydroxyl group of PDA condenses with the silanol group on KH560 to prepare titanium carbide‐supported antioxidant molecules (Ti3C2‐RT). The layered Ti3C2 dispersed in the matrix material not only effectively prevents oxygen from entering, but also provides a large specific surface area for the supported antioxidant. At the same time, the introduction of high‐functionality polyamines and silane coupling agents creates conditions for the preparation of inorganic fillers with high loading rates of antioxidants. The loading rate of Ti3C2‐RT was evaluated by TGA, and the mass fraction of antioxidant RT on Ti3C2‐RT was approximately 16.5%, which means that it has the highest loading rate in the field of inorganic fillers loaded with antioxidants. In addition, the mechanical properties of polybutadiene rubber before and after aging were also studied. The test results show that the new antioxidant Ti3C2‐RT has good anti‐aging effect and can effectively prevent antioxidant precipitation. Therefore, compared to organic antioxidants, the supported antioxidant Ti3C2‐RT has a longer ability to scavenge free radicals, resulting in a longer service life of rubber products.
Naphthalimide and Carbazole Based Mechanochromic Molecular Dyads and Triads for Selective Lysosome Imaging
Authors: Munthasir Akkarakkaran Thayyil Muhammed , Rani Poonam , Dhanalakshmi Pandi , Geremia Silvano , Hickey Neal , Thilagar Pakkirisamy
Published: January 2025

In this study, we report the design and development of a stable fluorescent probe that is selectively localized in the cytosol of Hela cells. We designed two probes, 1 and 2, with D‐π‐A (carbazole (Cbz)‐vinyl‐naphthalimide (NPI)) and A‐π‐D‐π‐A (NPI‐vinyl‐Cbz‐vinyl‐NPI) architecture, respectively. Probes 1 and 2 exhibit broad photoluminescence (PL) spectra ranging from green (550 nm) to far‐red (800 nm) in solutions and aggregated states. In the solid‐state, the PL of these probes shows a bathochromic shift, which can be attributed to intermolecular interactions. In a water‐rich medium, Probe 1, with a single NPI moiety, shows aggregation‐caused quenching (ACQ) but retains a moderate quantum yield of 13.7 % (Φsoln=61.4 %). On the other hand, probe 2, with two NPI units, showed aggregation‐induced enhanced emission AIEE, where the PLQY is increased nearly 4 times (Φsoln=3.5 %, Φagg=12.8 %). In‐vitro cell studies revealed that these probes are non‐toxic and effectively stain cells in green and red channels. Notably, Probe 1 demonstrated excellent cellular uptake and selectivity for lysosome, with a Pearson overlap coefficient of 0.91.
Towards a Platform Chromatography Purification Process for Adeno‐Associated Virus (AAV)
Authors: Bogdanovic Alexandra , Donohue Nicholas , Glennon Brian , McDonnell Susan , Whelan Jessica
Published: January 2025

Adeno‐associated virus (AAV) is a versatile viral vector technology that can be engineered for specific functionality in vaccine and gene therapy applications. One of the major challenges in AAV production is the need for a GMP‐ready platform‐based approach to downstream processing, as this would lead to a standardized method for multiple products. Chromatography has huge potential in AAV purification, as it is a scalable method that would enable manufacturing to a high degree of purity, potency, and consistency. Multiple factors need to be considered when developing a chromatography platform, including the chromatography type, format, and mode of operation, along with other commercial considerations that have not been comprehensively reviewed until now. In addition to chromatography factors, this review will also consider the current understanding of AAV characteristics: this will include net surface charge, structural properties, and size, as well as their interactions with metal ions or receptors, and how this impacts the development of a chromatography platform.
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

We 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 Summary

The 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 Summary

Excited‐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

Backgroud

Salivary 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.

Case

We 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.

Conclusions

This 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

This 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

The 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

A 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

Electrocatalysis 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

VANETs 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

The 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

Droplet 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

Forests 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.
Novel Anchored Branched Polymer Coating Layers for Enhanced Redox Kinetics in Aqueous Zinc‐Ion Batteries
Authors: Jeong Hyeong Seop , Kim Dong Il , Lee Wooseok , Jeong Hee Bin , Jo Seunghwan , Byeon Junsung , Kwon Yongjae , Choi Younghwan , Lee Won Bo , Cha SeungNam , Hong Jin Pyo , Sohn Jung‐Inn , Kim YongJoo , Hong John
Published: January 2025

The fundamental issues associated with Zn anodes prevent the commercialization of aqueous Zn ion batteries. To address this, a simple dip‐coating method was used to coordinate a thin layer of branched polyethyleneimine (b‐PEI) polymer onto the electrode surface. This process increases hydrophilicity and reduces interfacial resistance between the electrode and aqueous electrolyte. Consequently, electrolyte leaching from the hydrophilic polymer coating layer is prevented, charge distribution is uniform, and stable electrochemical performance is maintained over extended periods. In symmetric cell testing, the b‐PEI@Zn anode exhibits a lifespan of over 1400 h (3 mA cm−2, 1 mAh cm−2). Furthermore, full‐cell tests, the b‐PEI@Zn anode demonstrates higher capacity (+26.05%) and improved stability (95.4%) compared to the bare Zn anode (0.5 A g−1). This study presents a practical surface modification strategy for Zn anodes and underscores the potential of innovative polymer‐based electrode coatings for aqueous battery applications.
Enhancing the Performance of Concrete Coupled Shearwall Using Shape Memory Alloys
Authors: Nasiri Hamidreza , Ghassemieh Mehdi
Published: January 2025

Utilizing 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

Computer 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

This 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

Rare 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.
Evaluation of Variable Frequency Drive System in Pumping Stations of Irrigation Networks Using INACSEM Model
Authors: Ostad‐Ali‐Askari Kaveh , Sadeghi Fatemeh , Vanani Hamid Raeisi , Monem Mohammad Javad , Kianmehr Peiman
Published: January 2025

Limited resources for the construction of new irrigation networks and low performance of most of them have led to more attention to evaluate and improve the performance of networks. The use of automated systems to improve performance and increase flexibility in irrigation networks is expanding. Regarding the variety of equipment, algorithms and applications of various automated systems in different parts of irrigation networks, it is necessary to develop performance evaluation models that include all aspects of automation. In this research, the irrigation networks automatic control system evaluation model (INACSEM) has been prepared using the classical evaluation method to assess automated control systems in irrigation networks. In this model, evaluation includes both technical and general approach. The technical point of view includes the types of equipment, software and automated control structures and their application in different stages of operation in different parts of the network and the general approach, which includes the general aspects of evaluation, mainly the managerial, social, economic and environmental point of views. The remote‐control system [by variable frequency drive (VFD)] installed in the pumping stations of Moghan plain was examined in order to show the application of the developed model. The results of performance evaluation of the automatic system show a performance of 82% with a validity of 74% in the pumping stations of Moghan plain. The results indicate the suitability of the model for evaluating automated systems in irrigation networks. Considering all aspects of automation, it also shows the problems of its components.
Internalized Transnegativity, Self‐Warmth, Self‐Coldness, and Eating Disorder Symptomatology Among Transgender and Nonbinary Adults
Authors: McArthur Sarah , McLaren Suzanne , Goldie Peter D.
Published: January 2025

Eating disorders (EDs) are highly prevalent among transgender and nonbinary (TNB) adults, and internalized transnegativity is a key risk factor for ED symptomatology. Although extant literature has established that self‐compassion protects against EDs among the cisgender population, research among TNB adults is nascent. The current study sought to identify whether internalized transnegativity and components of self‐compassion (i.e., self‐warmth and self‐coldness) were independently associated with ED symptomatology, and whether the components of self‐compassion moderated the relation between internalized transnegativity and ED symptomatology. An international sample of 127 TNB adults aged between 18 and 69 years (M = 32.24, SD = 11.12) completed the Transgender Identity Survey, the Self‐Compassion Scale, and the Screen for Disordered Eating via an online survey. Simple linear regression models were run, followed by moderation analyses. Internalized transnegativity and self‐coldness were associated with ED symptomatology, but self‐warmth was not. Self‐warmth and self‐coldness did not moderate the relation between internalized transnegativity and ED symptomatology. The results highlight that self‐coldness and, to a lesser extent, internalized transnegativity account for a significant portion of the variance in ED symptomatology among TNB adults. Although these effect sizes were small, they have important clinical implications. Future research should take alternative analytical approaches to examine how self‐warmth, self‐coldness, and internalized transnegativity are related to ED symptomatology among TNB adults.
Extracellular RNA communication: A decade of NIH common fund support illuminates exRNA biology
Authors: Amolegbe Sara M. , Johnston Nicolas C. , Ambrosi Angela , Ganguly Aniruddha , Howcroft T. Kevin , Kuo Lillian S. , Labosky Patricia A. , Rudnicki Dobrila D. , Satterlee John S. , Tagle Danilo A. , Happel Christine
Published: January 2025

The discovery that extracellular RNAs (exRNA) can act as endocrine signalling molecules established a novel paradigm in intercellular communication. ExRNAs can be transported, both locally and systemically in virtually all body fluids. In association with an array of carrier vehicles of varying complexity, exRNA can alter target cell phenotype. This highlights the important role secreted exRNAs have in regulating human health and disease. The NIH Common Fund exRNA Communication program was established in 2012 to accelerate and catalyze progress in the exRNA biology field. The program addressed both exRNA and exRNA carriers, and served to generate foundational knowledge for the field from basic exRNA biology to future potential clinical applications as biomarkers and therapeutics. To address scientific challenges, the exRNA Communication program developed novel tools and technologies to isolate exRNA carriers and analyze their cargo. Here, we discuss the outcomes of the NIH Common Fund exRNA Communication program, as well as the evolution of exRNA as a scientific field through the analysis of scientific publications and NIH funding. ExRNA and associated carriers have potential clinical use as biomarkers, diagnostics, and therapeutics. Recent translational applications include exRNA‐related technologies repurposed as novel diagnostics in response to the COVID‐19 pandemic, the clinical use of extracellular vesicle‐based biomarker assays, and exRNA carriers as drug delivery platforms. This comprehensive landscape analysis illustrates how discoveries and innovations in exRNA biology are being translated both into the commercial market and the clinic. Analysis of program outcomes and NIH funding trends demonstrate the impact of this NIH Common Fund program.