bluuebunny/crossref_metadata_2025_split huggingface dataset:
Direct Observation of Electron Donation onto the Reactants and a Transient Poisoning Mechanism During CO2 Electroreduction on Ni Single Atom Catalysts
Authors: Leverett Josh , Baghestani Ghazal , Tran-Phu Thanh , Yuwono Jodie A. , Kumar Priyank , Johannessen Bernt , Simondson Darcy , Wen Haotien , Chang Shery L. Y. , Tricoli Antonio , Simonov Alexandr N. , Dai Liming , Amal Rose , Daiyan Rahman , Hocking Rosalie K. 
Published: February 2025

SACs are an important class of materials that mediate chemical reduction reactions, a key subset of which is Ni within a carbon support for the electrochemical CO2 reduction reaction (CO2RR). However, how the metal atom/clusters and carbon‐based support act in concert to catalyze CO2RR is not well understood, with most reports attributing activity solely to the Ni‐Nx/C moieties. To address this gap, we have undertaken a mechanistic investigation, employing in situ X‐ray absorption spectroscopy (XAS) coupled with electrochemical studies and DFT calculations to further understand how Ni single atoms work in conjunction with the nitrogen‐doped carbon matrix to promote CO2RR to CO, and how the presence of impurities such as those present in CO2‐containing waste flue gases (including NOx, and CN‐) changes the catalyst upon reduction. In contrast to previous works, we do not find strong evidence for a purely metal‐based reduction upon application of negative reductive potentials. Instead, we present evidence for an increase in the equatorial vs. axial splitting of Ni, consistent with electrons moving onto the reactants via the Ni single atom 3dz2 orbital. In addition, we demonstrate a transient poisoning mechanism of the Ni SAC by nitrite and thiocyanate, explaining the recovery of activity during CO2RR.
Cu(II), Ni(II), and Co(II) Complexes of a Novel Quinolinyl Hydrazone Ligand: Synthesis, Characterization, DFT, Antitumor, and Molecular Docking Studies
Authors: Seleem H. S. , El‐Inany G. A. , El‐Shetary B. A. , El‐Shafiy H. F. , Hanafy F. I. , Nabeel Asmaa I. , Madyan A. , Shebl Magdy 
Published: February 2025

ABSTRACTA novel quinolinyl hydrazone ligand (NaphHQino) has been synthesized by condensation of 2‐hydrazinyl‐4,7‐dimethylquinoline with 2‐hydroxy‐1‐naphthaldehyde. Reactions of NaphHQino with copper(II), nickel(II), and cobalt(II)‐chlorides yielded a series of novel complexes. Structures of the NaphHQino ligand, Cu‐NaphHQino, Ni‐NaphHQino, and Co‐NaphHQino complexes have been inspected with the help of elemental and thermal analyses, magnetic susceptibility and molar conductivity measurements, infrared, electron spin resonance (ESR), proton nuclear magnetic resonance (1H NMR), mass, and electronic spectra. The studied NaphHQino ligand acts either as a neutral NN‐donor or as a dibasic tridentate NNO‐donor, forming square‐planar complexes. Molar conductivity measurements demonstrate a neutral character of the NaphHQino complexes. The ESR spectrum of the Cu‐NaphHQino complex confirmed the proposed square‐planar geometry with values of α2 and β2, demonstrating that the in‐plane π‐bonding character is less prominent than the covalent in‐plane σ‐bonding character. Implementing density functional theory at the B3LYP/6‐311G(d,p) and LanL2dz levels, the molecular fundamental properties of NaphHQino and NaphHQino‐complexes were assessed. NaphHQino ligand exhibited antineoplastic activity towards Ehrlich ascites carcinoma, and metal‐NaphHQino complexes showed higher activity than NaphHQino. Molecular docking simulations were carried out, which supported the obtained results for antineoplastic activity.
New Methods for the Synthesis of Highly Fluorescently Substituted Heterocyclic Boranils: Structural Identification and Photophysical Properties
Authors: Agren Soumaya , El Haskouri Jamal , Beyou Emmanuel , Baouab Mohamed Hassen V. 
Published: February 2025

ABSTRACTWe report the synthesis, structural, thermal, and photophysical properties of six boranils ((A‐F)‐BF2). Compounds (A‐C)‐BF2 were synthesized at low temperature, while nitro and pyridine derivatives were obtained at 80°C with yields up to 66%. Tert‐butyl and chloro‐substituted boranils showed thermal stability up to 300 °C. All boranils were fluorescent, with properties tuned by phenyl substitution and boron difluoride complexation. The lowest energetic gap (2.210 eV) was found in (D‐BF2), which exhibited a remarkable red‐shift in absorption and emission due to charge transfer between donor and acceptor groups. This work is part of ongoing studies on metal cation detection and photocatalysis.
Robust Superhydrophobic Flame‐Retardant Coating on Polyester Fabrics Based on Polyphosphazene Nanospheres
Authors: Zhou Cong , Sun Chang , Zhang Dan 
Published: February 2025

ABSTRACTDeveloping surface coatings with both superhydrophobic and flame‐retardant properties for polyester (PET) fabrics is crucial yet challenging. A novel, environmentally friendly coating based on polyphosphazene nanospheres (PNSs) was introduced to address this challenge. The PNSs were synthesized via polycondensation of hexachlorocyclotriphosphazene and branched polyethyleneimine, followed by surface modification with stearic acid to enhance hydrophobicity. The modified PNSs are applied to PET fabric through a facile dip‐coating process and co‐cured with a binder and silicone resin. The resultant fabric demonstrates superior superhydrophobicity (water contact angle > 150°) and significant flame retardancy, characterized by a reduced peak heat release rate and inhibited melt dripping. The coating exhibits robust mechanical stability, maintaining its performance after 120 abrasion cycles, 250 tape peel‐off cycles, and 10 washing cycles. Additionally, the treated fabric retains adequate air permeability at optimal coating concentrations. This approach enhances the functionality and safety of polyester textiles, with potential for industrial scale‐up due to its cost‐effectiveness and straightforward preparation process.
Organic Self‐Healing Single Crystals
Authors: Zhang Jia‐Hui , Tao Jun , Yao Zi‐Shuo 
Published: February 2025

AbstractSelf‐healing single crystals, which possess the ability to recover from damage, represent an emerging filed within dynamic single‐crystal materials. These materials not only deepen our understanding of the flexible structures inherent in single crystals but also offer a novel pathway for the development of smart materials, including soft robots, microelectronic devices, and optical devices. In this perspective, we provide a comprehensive summary of recent advancements in organic self‐healing single crystals, highlighting various self‐healing mechanisms, typical molecular structures, and the testing methods utilized to investigate these materials. We hope that our systematic overview of this field will significantly contribute to the advancement of self‐healing single crystal materials as a new class of molecular‐based functional materials, particularly in the integration of self‐healing properties with innovative optoelectronic functionalities.
Pedagogical Approach for Quantum Computing in Engineering Education
Authors: Orts Francisco 
Published: February 2025

ABSTRACTThis paper presents a method for teaching quantum computing for engineering students of the Master's degree in Quantum Computing at the International University of La Rioja. The approach is designed so that students can acquire the basic concepts of quantum computing in a context in which they have no knowledge of quantum mechanics. The focus is therefore on the mathematical, physical and, above all, computational knowledge acquired by the student in engineering. Theoretical and practical concepts of quantum computation are introduced, as well as the most important quantum algorithms. The student is also taught to work with a real quantum device. The method was successfully tested using the IBM Quantum platform, which consists of real quantum devices and simulators where students were able to test the acquired knowledge and implement the learned algorithms. In a context where quantum computing‐related degrees and subjects are starting to emerge, the aim of this work is to help not only future generations of engineers to study quantum computing, but also those responsible people for implementing such studies.
Canvas of Calm: A Pilot Study on Art‐Based Interventions for Academic Stress Management in Higher Education
Authors: Surana Komal , Datta Paramita 
Published: February 2025

ABSTRACTBackgroundArt has long been recognised as a powerful medium for self‐expression, emotional healing and stress reduction. In the context of academic stress, creative art‐based interventions provide students with non‐verbal outlets to process emotions and build resilience.AimThis pilot study aimed to evaluate the effectiveness of two art‐based therapeutic techniques ‐ scribbling and gratitude mandala colouring ‐ in reducing academic stress among undergraduate students.MethodA total of 51 undergraduate students (both male and female) from Salesian College, Siliguri, participated in this pre‐ and post‐intervention pilot study. The Academic Stress Scale, developed by Jain and Dikshit, was administered before and after the 4 week intervention. Participants engaged in weekly 1‐h sessions featuring intuitive scribbling, scribble swap, self‐gratitude and family gratitude mandala colouring, with weekly assignments. Feedback was collected after each session to capture participants' reflections.ResultsResults showed a significant reduction in academic stress levels post‐intervention (t = 3.44, p < 0.001), with a decrease in mean stress scores from 98.70 (SD = 8.96) to 90.35 (SD =13.75). Participants reported increased mindfulness, improved concentration, a sense of relaxation and strengthened relationships with family members.ConclusionThe techniques enabled creative expression without fear of judgement, fostering self‐assurance and better coping mechanisms. This study highlights the potential of art‐based interventions addressing academic stress in higher education.
Overcoming Uncrossable Calcified RCA Using Orbital Atherectomy After Failure of Rotational Atherectomy
Authors: Helal Ayman , Ehtisham Javed , Shaukat Naeem 
Published: February 2025

ABSTRACTSevere calcified lesions in the coronary arteries often pose significant challenges for successful percutaneous coronary interventions. In this case, a 78‐year‐old woman presented with severe calcific disease in the right coronary artery and underwent two sequential interventions. The initial procedure involved rotational atherectomy but failed to fully cross the lesion. The procedure was complicated by an ostial dissection that was treated by stent. Subsequently, orbital atherectomy was employed, successfully crossing the lesion through a newly deployed ostial stent. Additionally, upfront intracoronary adenosine was administered to prevent no‐reflow, achieving optimal procedural outcomes. This case highlights the utility of orbital atherectomy as a rescue technique after failed rotational atherectomy and the effectiveness of proactive pharmacological intervention for no‐reflow prevention. To our knowledge there were no case reports addressing successful orbital atherectomy following failed rotational atherectomy.
Multidisciplinary Treatment With Adjunctive Orthodontics, Surgical Crown Lengthening, and Esthetic Rehabilitation
Authors: Viet Hoang , Thao Dang Thi Nhu , Phuoc Tran Hong , Hung Do The , Marya Anand 
Published: February 2025

ABSTRACTAnterior spacing caused by missing upper lateral incisors and edge‐to‐edge position in the front teeth can negatively affect the appearance of a person's smile, leading to mental and social distress. A 29‐year‐old woman approached with the issue of edge‐to‐edge anterior occlusion, upper and lower spacing, missing lateral teeth, and improper occlusion. The treatment plan involved an interdisciplinary approach with orthodontics, implants, periodontics, and prosthodontics. After orthodontic treatment, third molar extraction and two buccal shelf mini screws were recommended to distalize the lower posterior teeth and retract the lower incisors using a power chain. Gingivoplasty and veneer restorations were performed on teeth 14–24 to improve the patient's smile aesthetics. The interdisciplinary approach used in this case involved fixed orthodontics, periodontal surgery, and prosthodontics to manage and improve the patient's smile and facial appearance.
Radical Cation of Tris(triarylamine) Connected through 1,2,3‐Benzenetriyl Bridge: A Three‐Redox‐Center Organic Mixed‐Valence System
Authors: Ito Akihiro , Seki Shu , Uebe Masashi , Yoshida Koshi 
Published: February 2025

To explore intramolecular charge‐transfer (ICT) pathways in three‐redox‐center organic mixed‐valence (MV) radical cation, a tris(triarylamine) (TTA), in which three triarylamine (TA) redox‐active centers are connected in a side‐by‐side fashion via 1,2,3‐benzenetriyl bridging unit, has been newly synthesized. The MV state of the TTA radical cation has been investigated by a combination of experimental and theoretical methods, and the ICT pathway between three redox‐active centers has been revealed. The intervalence CT (IVCT) band analysis gave an electronic coupling value comparable to the ortho‐phenylene‐bridged bis(triarylamine) radical cation. Dynamic electron spin resonance studies clarified that the TTA radical cation was a nondegenerate MV system exhibiting ICT between the central TA and the peripheral TAs through the ortho‐phenylene‐bridge.
An Improved NLC Rotation Strategy for MMC
Authors: Gobburi Hari Babu , Borghate Vijay B. , Patro S. K. , Meshram Prafullachandra M. 
Published: February 2025

ABSTRACTThis article presents a balancing strategy for modular multilevel converter (MMC) that offers low dv/dt and improved performance. The proposed approach converts the inserted number of half‐step size upper and lower arm SMs into pulses and then rotates them among the respective arm switching devices for the voltage balancing of SM floating capacitors. Apart from keeping the device switching frequency at fundamental, the proposed method also eliminates the SM capacitor voltage and arm current sensing. In addition to above, the harmonic performance also gets improved without incorporating harmonic elimination method at low number of submodules. The voltage balance process is discussed mathematically, and its impact is studied in detail by open loop and closed loop simulations carried in MATLAB/SIMULINK software with 10 half‐bridge SMs (HBSM) per arm, which demonstrates the ability of proposed method to improve the arm voltage and current profile. For the revalidation of simulation results experimentally, a component level scaled down MMC prototype employing 4 HBSMs in each arm is developed and tested. The experimental outcomes are in agreement with the simulation results.
Advances in networking droplets
Authors: Chong Zhejun , Zeng Yi , Kang Youlong , Ding Ke , Du Xin , Gu Zhongze 
Published: February 2025

AbstractCompartmentalization in living systems, where multiple reactions occur in parallel within confined spaces, has inspired the development of droplet networks in the past decade. These fascinating assemblies offer unique and versatile functions that are unattainable by single droplets and have shown their potential as advanced platforms for chemical and biological applications. This review highlights recent progress in the creation and application of droplet networks, covering strategies for generating the droplets and assembling them into functional networks. Key applications such as microreactors, signal conductors, actuators, and power sources are summarized. We also discuss the challenges and future trends in this field, aiming to narrow the gap between fundamental research and real applications.
A Pantropical Analysis of Fire Impacts and Post‐Fire Species Recovery of Plant Life Forms
Authors: Sapkota Dharma P. , Edwards David P. , Massam Mike R. , Evans Karl L. 
Published: February 2025

ABSTRACTFires are a key environmental driver that modify ecosystems and global biodiversity. Fires can negatively and positively impact biodiversity and ecosystem functioning, depending on how frequently fire occurs in the focal ecosystem, but factors influencing biodiversity responses to fire are inadequately understood. We conduct a pan‐tropical analysis of systematically collated data spanning 5257 observations of 1705 plant species (trees and shrubs, forbs, graminoids and climbers) in burnt and unburnt plots from 28 studies. We use model averaging of mixed effect models assessing how plant species richness and turnover (comparing burnt and unburnt communities) vary with time since fire, fire type, protected area status and biome type (fire sensitive or fire adaptive). Our analyses bring three key findings. First, prescribed and non‐prescribed burns have contrasting impacts on plant species richness (trees/shrubs and climbers); prescribed fire favours increased species richness compared to non‐prescribed burns. Second, the effect of time since fire on the recovery of species composition varies across all life form groups; forb's species composition recovered faster over all life forms. Third, protection status alters fire impacts on the species richness of trees/shrubs and climbers and species recovery of graminoids. Non‐protected areas exhibit higher species richness compared to protected areas in trees/shrubs, and climbers. Graminoid species composition recovered quicker in protected sites compared to unprotected ones. Since fire intervals are decreasing in fire‐sensitive biomes and increasing in fire‐adaptive biomes, plant communities across much of the tropics are likely to change in response to exposure to fire in the future.
Participatory surveillance reveals marsh deer mortality event during an extraordinary flood in Ibera Wetlands, Argentina
Authors: Orozco M. M. , Guillemi E. C. , Minatel L. , Schapira A. , Caimi K. , Berra Y. , Blanco P. , Di Nucci D. , Farber M. D. , Fernández M. Pilar , Argibay H. D. 
Published: February 2025

AbstractMortality events of marsh deer (Blastocerus dichotomus) have been historically described in the southern margins of its geographical range. Few documented cases show how environmental changes and pathogens interact to trigger mortality scenarios and reveal their causes. Here, using a participatory surveillance framework, we document the most extensive marsh deer mortality event observed in the last three decades occurring in Ibera ecoregion, Corrientes, Argentina. Local stakeholders monitored marsh deer disease cases or mortality, and upon detection, emergency response teams conducted extensive field studies, documenting 409 dead marsh deer between May and August 2017. Complete postmortem examinations were performed on 16 deer, revealing hepatic fibrosis associates with Fasciola hepatica and multiple parasite infestations in different tissues. Molecular analysis performed on samples from 82 deer identified parasitic and vector‐borne microorganisms, including Anaplasma marginale, Theileria cervi, and Trypanosoma spp. High‐tick burden and Trypanosoma spp. were significantly associated with deficient body condition. Concurrently, increased precipitation and watershed height significantly expanded flooded areas, with reduced herbaceous cover indicated by land cover analysis. Our findings suggest that prolonged flooding in Ibera played a critical role in the interactions between habitat availability, marsh deer, and parasites. Environmental stressors likely exacerbated the effects of parasitic infections, highlighting the importance of integrating environmental monitoring with wildlife health assessments. Our results contribute to scientific knowledge that provides tools to enhance management efforts focused on protecting the marsh deer population and its critical habitats.
DiverReef: A global database of the behavior of recreational divers and their interactions with reefs over 20 years
Authors: Giglio Vinicius J. , Adelir‐Alves Johnatas , Balzaretti Merino Natalia , Bravo‐Olivas Myrna Leticia , Camp Emma F. , Casoli Edoardo , Chávez‐Dagostino Rosa Maria , Ferretti Eliana , Fraser Douglas , Grillo Ana C. , Jiménez‐Guiérrez Santiago , Leite Kelen L. , Lucrezi Serena , Luiz Osmar J. , Luna‐Pérez Beatriz , McBride Jamie , Milanese Martina , Moity Nicolas , Pinheiro Jonison V. , Renfro Bobbie , Roche Ronan , Saliba Bruna M. , Sara Antonio , Schiavetti Alexandre , Toso Yann , Valle‐Pérez Carlos , Ferreira Carlos E. L. 
Published: February 2025

AbstractRecreational diving is an important activity in reef environments worldwide, providing income and employment for coastal communities and connecting visiting divers to these ecosystems promoting conservation and stewardship. However, if poorly managed, diving has the potential to cause detrimental effects on benthic communities via mechanical damage caused by physical contact of divers with the reef, often in the form of unintentional fin kicks resulting from poor buoyancy. Understanding diver–reef interaction patterns is important to elucidate the potential impacts of diving tourism on the reef biota. The DiverReef database provides the first public dataset on the underwater behavior of recreational divers in shallow reef environments (<25 m depth) globally and their interactions with the reef seascape and/or reef benthic sessile organisms. The dataset comprises 20 years of data (2004–2023) by observing the behavior of 2311 recreational divers in nine countries at 19 diving destinations and 176 diving sites; 93% of the observations were in marine protected areas. The data were collected through on‐site observations of divers' behavior during tourism activities and their physical interactions with the reef structure and/or benthic sessile reef organisms. Observers discreetly followed divers and recorded their behavior and interactions with the reef over set periods. Interactions were described as “contact” or “damage,” the latter referring to when physical damage to a benthic organism or the reef structure was observed. Besides behavior, observers also recorded data on the type of diving activity (scuba or snorkeling), profiles of the divers (gender and experience), use of cameras by the divers, visibility, type of reef formation, and marine protection status of the dive site. The authors of this research expect that the data provided will be useful in advancing knowledge of how divers interact with reefs and in developing strategies to mitigate the potential detrimental effects of the diving industry on reef biota. Part of the data has already been used in reports and scientific articles. This dataset can be freely used for noncommercial purposes; we request that users of these data cite this data paper in all publications resulting from the use of this dataset.
Determination of Withanolides and Withanosides in Ashwagandha Based Products Using HPLC‐Drift‐Tube‐Ion‐Mobility Quadrupole Time‐of‐Flight Mass Spectrometry
Authors: Zellner Laura , Wierer Markus , Himmelsbach Markus , Schatzmann Benjamin , Thalhamer Bernhard , Klampfl Christian W. 
Published: February 2025

ABSTRACTA total of 19 products based on extracts from Withania somnifera (L.) Dunal, better known by its more common name ashwagandha, and five products based on ashwagandha root powder were analyzed with respect to their content in the biologically relevant substances belonging to the group of withanolides and withanosides. Using HPLC coupled to drift‐tube ion‐mobility quadrupole time‐of‐flight mass spectrometry (DT‐IM‐QTOF‐MS), 19 withanolides and withanosides could be tentatively identified. The comparison of the results from the quantitative analysis with the information on the product labels showed that the percentage of withanolides and withanosides deviated from the stated specifications by at least a factor of two and at most a factor of 35.