bluuebunny/crossref_metadata_2025_split huggingface dataset:
Integrated Mixed Potential Gas Sensor with Efficient Structure for Discriminative Volatile Organic Compounds Detection
Authors: Lv Siyuan , Gu Tianyi , Pu Qi , Wang Bin , Jia Xiaoteng , Sun Peng , Wang Lijun , Liu Fangmeng , Lu Geyu 
Published: July 2024

AbstractAmid growing interest in the precise detection of volatile organic compounds (VOCs) in industrial field, the demand for highly effective gas sensors is at an all‐time high. However, traditional sensors with their classic single‐output signal, bulky and complex integrated structure when forming array often involve complicated technology and high cost, limiting their widespread adoption. Here, this study introduces a novel approach, employing an integrated YSZ‐based (YSZ: yttria‐stabilized zirconia) mixed potential sensor equipped with a triple‐sensing electrode array, to efficiently detect and differentiate six types of VOCs gases. This innovative sensor integrates NiSb2O6, CuSb2O6, and MgSb2O6 sensing electrodes (SEs), which are sensitive to pentane, isoprene, n‐propanol, acetone, acetic acid, and formaldehyde gases. Through feature engineering based on intuitive spike‐based response values, it accentuates the distinct characteristics of every gas. Eventually, an average classification accuracy of 98.8% and an overall R‐squared error (R2) of 99.3% for concentration regression toward six target gases can be achieved, showcasing the potential to quantitatively distinguish between industrial hazardous VOCs gases.
Nitrogen‐Doped TiO2−x(B)/MXene Heterostructures for Expediting Sulfur Redox Kinetics and Suppressing Lithium Dendrites
Authors: Zhen Mengmeng , Wang Xiaoyu , Yang Qihang , Zhang Zihang , Hu Zhenzhong , Li Zhenyu , Wang Zhongchang 
Published: July 2024

AbstractPractical application of lithium–sulfur (Li–S) batteries is severely impeded by the random shuttling of soluble lithium polysulfides (LiPSs), sluggish sulfur redox kinetics, and uncontrollable growth of lithium dendrites, particularly under high sulfur loading and lean electrolyte conditions. Here, nitrogen‐doped bronze‐phase TiO2(B) nanosheets with oxygen vacancies (OVs) grown in situ on MXenes layers (N‐TiO2−x(B)‐MXenes) as multifunctional interlayers are designed. The N‐TiO2−x(B)‐MXenes show reduced bandgap of 1.10 eV and high LiPSs adsorption‐conversion‐nucleation‐decomposition efficiency, leading to remarkably enhanced sulfur redox kinetics. Moreover, they also have lithiophilic nature that can effectively suppress dendrites growth. The cell based on the N‐TiO2−x(B)‐MXenes interlayer under sulfur loading of 2.5 mg cm−2 delivers superior cycling performance with a high specific capacity of 690.7 mAh g−1 over 600 cycles at 1.0 C. It still has a notable areal capacity of 6.15 mAh cm−2 after 50 cycles even under a high sulfur loading of 7.2 mg cm−2 and a low electrolyte‐to‐sulfur (E/S) ratio of 6.4 µL mg−1. The Li‐symmetrical battery with the N‐TiO2−x(B)‐MXenes interlayer showcases a low over‐potential fluctuation with 21.0 mV throughout continuous lithium plating/stripping for 1000 h. This work offers valuable insights into the manipulation of defects and heterostructures to achieve high‐energy Li–S batteries.
Issues of Sampling and Representativeness in Large‐Scale LiDAR‐Derived Archaeological Surveys in Mediterranean Contexts
Authors: Fontana Giacomo 
Published: July 2024

ABSTRACTLandscape‐scale LiDAR‐based studies are becoming increasingly prevalent in archaeology, mainly focusing on detecting archaeological sites to create datasets for spatial analysis. However, the representativeness of these datasets in accurately reflecting the surviving distributions of archaeological sites has often been overlooked. This paper discusses issues of sampling and representativeness in LiDAR‐derived datasets, particularly within the scope of large‐scale landscape studies in Mediterranean contexts. Drawing insights from the Ancient Hillforts Survey, which analysed 15 296 km2 in south‐central Italy, the study examines the variability in the visibility of different site typologies in open‐source but low‐resolution LiDAR data. Through an examination of hillforts, platform farms, settlements, field systems, traces of Roman centuriation, and transhumance routes, the paper highlights significant variability in the identification and mapping within and across different site types. Recognizing the need to account for this variability in the development of spatial analysis, the paper discusses the use of sampling areas to address this variability. This approach aims to effectively mitigate potential biases in analysis, emphasizing the necessity for nuanced methodologies in interpreting LiDAR data for archaeological research.
Unveiling Anti‐Malarial, Antimicrobial, Antioxidant Efficiency and Molecular Docking Study of Synthesized Transition Metal Complexes Derived From Heterocyclic Schiff Base Ligands
Authors: Rani Manju , Devi Jai , Kumar Binesh , Rathi Manisha 
Published: July 2024

AbstractMalaria, a persistent and ancient adversary, continues to impact vast regions worldwide, afflicting millions and severely affecting human health and well‐being. Recently, despite significant progress in combating this parasitic disease, malaria remains a major global health concern, especially in areas with limited resources and vulnerable populations. Consequently, identifying and developing effective agents to combat malaria and its associated dysfunctions is essential therefore the two new Schiff base ligands incorporated Co(II), Ni(II), Cu(II) and Zn(II) ions were synthesized and thoroughly characterized. The synthesized compounds were assessed for in vitro anti‐malarial and antimicrobial efficacy, compounds (9, 10) demonstrated highest potential with IC50=1.08±0.09 to 1.18±0.04 μM against P. falciparum and MIC=0.0058 μmol/mL against C. albicans and E. coli, respectively. The complexes (5, 6) were effectively reduce mitigate oxidative stress with lowest IC50 value of 2.69±0.12 to 2.87±0.09 μM. Moreover, the biological findings were reinforced by a molecular docking investigation involving the potential compounds (2, 7–10) against dihydroorotate dehydrogenase and sterol 14‐alpha demethylase proteins which exposed complex's excellent biological response than their parent ligands. ADMET profiling was used to confirm the compounds’ oral drug‐like features. This research offers promising prospects for future multi‐functional drug innovations targeting malaria, pathogenic infections, and oxidative stress.
Human papillomavirus‐16 E6‐positive cervical cancer attenuated by potent 2‐(4‐biphenylyl)‐N‐(1‐ethyl‐4‐piperidinyl) acetamide second‐generation analogs with improved binding affinity
Authors: Kumar Ashish 
Published: July 2024

AbstractHuman papillomavirus (HPV) infection, particularly HPV16, is a major contributor to the development of cervical cancer. Given the urgent need for novel therapeutic strategies targeting HPV‐associated cancers, this study focuses on characterizing second‐generation analogs of a lead compound, as a potential inhibitor of HPV16‐E6. Protein–ligand docking, Gibbs binding free energy estimation, and molecular dynamics simulations were conducted. HPV16‐infected SiHa and CaSki cell lines were used. MTT (3‐(4,5‐dimethylthiazolyl‐2)‐2,5‐diphenyltetrazolium bromide) assay for proliferation and flow cytometry for target inhibition and apoptosis were employed. Computational and cell proliferation analyses revealed that modifications to E6‐855, particularly in the piperidinyl group, enhanced binding affinities against HPV16‐E6, with E6‐272 demonstrating superior binding properties. Molecular dynamics simulations confirmed the stable binding of E6‐272 to HPV16‐E6, supported by favorable binding energy estimates. E6‐272 inhibited the proliferation of SiHa and CaSki cells with GI50 values of 32.56 and 62.09 nM, respectively. The compound reduced HPV16‐E6‐positive population, while inducing the early and late phase apoptosis in these cells. Structural alterations at the piperidinyl group of E6‐855 identified E6‐272 as a promising inhibitor of HPV16‐E6 with improved efficacy against HPV16‐E6. Further experimental validation of E6‐272 and its analogs warrant to advance its clinical utility in combating HPV‐associated cancers.
All Colloidal Supercapattery: Colloid@carbon Cloth Electrodes Meet “Water‐in‐Salt” Electrolyte
Authors: Sun Xiangfei , Chen Kunfeng , Xue Dongfeng 
Published: July 2024

AbstractThe pursuit of excellent electrochemical performance, nonflammability and environmental friendliness of aqueous batteries and supercapacitors has driven efforts to find high‐energy yet reliable electrode materials and electrolyte solutions. Here, all colloidal supercapattery are developed using high‐concentration “water‐in‐salt” electrolytes (LiTFSI‐KOH) and pseudocapacitive colloid@carbon cloth as both positive and negative electrodes, which showed merits of batteries and supercapacitors. Ni/Co‐colloid @carbon cloth positive and Fe‐colloid @carbon cloth negative electrodes can be synthesized by in situ electrochemical reaction. The maximum operating voltage of an aqueous colloidal supercapattery is 1.8 V, and the energy density can reach 73.98 Wh kg−1 at a power density of 1799.5 W kg−1. The specific capacitance of the aqueous colloidal supercapattery still maintains 74.3 % of the initial after 2000 cycles of charge/discharge measurement. The combination of quasi ion colloidal materials and “water‐in‐salt” electrolyte pave a profound way to achieve high energy and power ability simultaneously at the supercapattery device.
Prussian Blue Analogues Derived Bimetallic CoNi@NC as Efficient Oxygen Reduction Reaction Catalyst for Mg‐Air Batteries
Authors: Dong Xiaoyang , Wang Jinxing , Ling Junqian , Zhang Ying , Xu Junyao , Zeng Wen , Huang Guangsheng , Wang Jingfeng , Pan Fusheng 
Published: July 2024

AbstractThe magnesium‐air (Mg‐air) batteries are regarded as a highly promising system for electrochemical energy conversion and storage, owing to their exceptional energy density, notable safety and eco‐friendliness. The development of high‐performance and durable non‐noble metal catalysts for the cathodic oxygen reduction reaction (ORR) is crucial for advancing the practical use of Mg‐air batteries. The synergistic interaction between different metals in bimetallic catalysts is an effective strategy for enhancing the activity and stability of the catalysts. Herein, various prussian blue analogues (PBA) were selected as precursors to synthesis the bimetallic CoNi@NC, monometallic Co@NC and Ni@NC catalysts due to tunable chemical compositions. Compared with Co@NC and Ni@NC, the bimetallic CoNi@NC pyrolyzed at 600 °C (CoNi@NC‐600) exhibits outstanding ORR performances and stability in alkaline (0.1 M KOH) and neutral (3.5 wt % NaCl) electrolytes. Following 5000 CV cycles, the half‐wave potentials for CoNi@NC‐600 show only minor negative shifts of 8 and 7 mV, respectively. Meanwhile, the CoNi@NC‐600 possesses the similar ORR reaction mechanism and activity with Pt/C. The primary Mg‐air battery assembled with CoNi@NC‐600 displays better discharge performances than that of Co@NC and Ni@NC. This study lays the foundation for future investigations into the advancement of non‐precious bimetallic catalysts for ORR in Mg‐air batteries.
The Zero Effect: An Eye‐Tracking Study of Affect and Motivation in Risky Choices
Authors: Ludwig Jonas , Jaudas Alexander , Achtziger Anja 
Published: July 2024

ABSTRACTDecision makers often prefer safe wins over risky gambles, even if the latter promise higher payoffs than the former. One mechanism that explains this choice pattern is the certainty effect, whereby probabilities of 0 and 1 are interpreted accurately but intermediate probabilities are distorted by diminishing sensitivity. We tested an alternative explanation that was recently proposed, the idea that people would be motivated by avoiding zero outcomes rather than being attracted to sure gains. This zero‐outcome aversion in gain‐domain choices was called the zero effect. By analogy, we proposed that decision makers would approach zero outcomes in the loss domain. Two eye‐tracking experiments investigated visual attention as a key component of the zero effect in the gain domain (Experiment 1) and the loss domain (Experiment 2). Choices were consistent with the zero effect. In the gain domain, gambles were chosen less frequently if they included a zero outcome. In contrast, zero‐outcome gambles were chosen more frequently in the loss domain. Eye movements and pupillometry indicated that zero outcomes in both domains (a) were less frequently fixated than other outcomes and (b) were associated with increased arousal. We concluded that domain‐specific affective responses to zero outcomes aligned with approach/avoidance motivation. These distinct motivations in turn biased information search and choice behavior.
Exploring the efficacy of ecolabels as a marketing strategy: Insights from the emerging bioplastic packaging market
Authors: Baskoro Muhammad Lahandi , Tjahjono Benny , Beltran Macarena , Bogush Anna , Brahmana Rayenda Khresna 
Published: July 2024

AbstractThe packaging industry's significant role in plastic production and environmental pollution underscores the need for more sustainable alternatives. Bioplastics emerge as a promising solution, yet consumer understanding of this innovative material often lags, particularly in emerging markets. This study thus aims to explore effective marketing strategies for communicating bioplastic packaging to shape consumer adoption and disposal practices in such markets. Through a case study approach, we examine the role of ecolabels as a marketing tool across key sectors of the bioplastic packaging supply chain. Drawing upon the signalling theory, we identify key characteristics of effective signals, including costly signalling, visibility, clarity, fitness, consistency and credibility, which should be integrated into a broader context of ecolabels design in order to encourage consumer adoption and responsible disposal. Our study also identifies instances where noises from the environment may have little impact and where communication gaps hinder feedback loops between consumers and producers.
How platformisation transforms the psychological profession: Reflections from a proposal of indicators for the classification of psychological platforms
Authors: Gambirasio Maddalena , Ivaldi Silvia , Scaratti Giuseppe 
Published: July 2024

AbstractThis article is part of a research context that examines the impact of new technologies on psychological practice. We argue that the use of technological mediators in the execution of the psychological profession goes beyond mere modifications to methods and tools, transforming the very nature of the discipline and influencing the associated professional identity. Specifically, our focus is on ‘psychological platforms’ as emerging work contexts that represent a relatively recent but rapidly growing phenomenon. Beginning with what is present in the literature on the subject of platform classification, this research project is intended to create functional and useful indicators for an analysis of psychological platforms. Based on these indicators, it is possible to reflect on the impact that the various characteristics of psychological platforms have on the psychological profession and psychological professionals themselves. In doing so, we seek to address the following research questions: (a) What are the main characteristics of psychological platforms, (b) which dimensions of the psychological profession are influenced by the use of a given platform in conducting psychological interventions and (c) how does the platformisation of the psychological profession affect the role of the psychologist? Our analysis is based on an in‐depth literature review regarding the platforms, followed by a desk analysis of 44 psychological platforms operating in the Italian context. By adopting this perspective, this article illuminates the dynamics shaping psychological practice in the digital era and suggests guidelines for future research in this continually evolving field.
Effects of plasma‐activated water and mild heating on Escherichia coli inactivation during wheat tempering and flour quality
Authors: Rivera Jared , Wang Qingyang , Doddabematti Prakash Shivaprasad , Salvi Deepti , Siliveru Kaliramesh 
Published: July 2024

AbstractBackground and ObjectivesHeat treatment, as a pathogen reduction step, could compromise flour quality. Plasma‐activated water (PAW) is a novel pathogen reduction treatment for foods. Combining these treatments could improve pathogen inactivation during wheat tempering and maintain flour quality. This study evaluated the effects of PAW and mild heating on Escherichia coli inactivation during wheat tempering and wheat flour quality.FindingsE. coli was inoculated into wheat grains at 6.0 ± 0.1 log CFU/g. A 5‐log reduction was achieved after 6 h of tempering with PAW and heating (55°C), whereas 12 h were needed when using heating and deionized water (DI). Tempering with DI (control) and PAW alone only produced a 1‐log reduction after 24 h. The PAW and PAW + heat tempering treatments produced flours with comparable yield, physicochemical, dough rheology, and bread characteristics compared to the control treatment.ConclusionMild heating and PAW tempering demonstrated a synergistic effect as it produced greater E. coli reductions at shorter tempering times compared to the individual treatments. The hurdle approach used in this study did not compromise flour quality.Significance and NoveltyThe demonstrated hurdle approach can be a viable pathogen mitigation step in wheat milling which could help improve food safety of wheat‐based foods.
N‐Glycosylation‐Induced Pathologic Protein Conformations as a Tool to Guide the Selection of Biologically Active Small Molecules
Authors: Magni Andrea , Sciva Cristiano , Castelli Matteo , Digwal Chander S. , Rodina Anna , Sharma Sahil , Ochiana Stefan , Patel Hardik J. , Shah Smit , Chiosis Gabriela , Moroni Elisabetta , Colombo Giorgio 
Published: July 2024

AbstractPost‐translational modifications such as protein N‐glycosylation, significantly influence cellular processes. Dysregulated N‐glycosylation, exemplified in Grp94, a member of the Hsp90 family, leads to structural changes and the formation of epichaperomes, contributing to pathologies. Targeting N‐glycosylation‐induced conformations offers opportunities for developing selective chemical tools and drugs for these pathologic forms of chaperones. We here demonstrate how a specific Grp94 conformation induced by N‐glycosylation, identified previously via molecular dynamics simulations, rationalizes the distinct behavior of similar ligands. Integrating dynamic ligand unbinding information with SAR development, we differentiate ligands productively engaging the pathologic Grp94 conformers from those that are not. Additionally, analyzing binding site stereoelectronic properties and QSAR models using cytotoxicity data unveils relationships between chemical, conformational properties, and biological activities. These findings facilitate the design of ligands targeting specific Grp94 conformations induced by abnormal glycosylation, selectively disrupting pathogenic protein networks while sparing normal mechanisms.
Halogen and Chalcogen Activation by Nucleophilic Catalysis
Authors: Mondal Haripriyo 
Published: July 2024

AbstractThe high utility of halogenated organic compounds has prompted the development of numerous transformations that install the carbon‐halogen motif. Halogen functionalities, deemed as “functional and functionalizable” molecules due to their capacity to modulate diverse internal properties, constitute a pivotal strategy in drug discovery and development. Traditional routes to these building blocks have commonly involved multiple steps, harsh reaction conditions, and the use of stoichiometric and/or toxic reagents. With the emergence of solid halogen carriers such as N‐halosuccinimides, and halohydantoins as popular sources of halonium ions, the past decade has witnessed enormous growth in the development of new catalytic strategies for halofunctionalization. This review aims to provide a nuanced perspective on nucleophilic activators and their roles in halogen activation. It will highlight critical discoveries in effecting racemic and asymmetric variants of these reactions, driven by the development of new catalysts, activation modes, and improved understanding of chemical reactivity and reaction kinetics.
Integration of a Hydrogen Storage Cavern into the Carbon2Chem® Project
Authors: Schlichtenmayer Maurice , Rockenschaub Monika , Wagler Torsten , Schneiders Dan , Presse Ralf 
Published: July 2024

AbstractUnderground salt caverns allow large hydrogen storage capacities at low specific costs. Such storage is required to balance fluctuating hydrogen supply and constant demand of large consumers as a methanol plant from the Carbon2Chem® project. The geological and technical feasibility for developing up to 168 Mio. m3 (n.c.) or 595 GWh of working gas capacity until 2040 at a location in the Lower Rhine Bay is described. Various options for realization as well as a novel process for cavern leaching parallel to hydrogen storage operation are evaluated. Further work is required including geological exploration and optimization of brine production. The main hurdles for investment decisions are the political uncertainties on the hydrogen storage market design and on the ramp‐up of the hydrogen market.
Effect of superimposing oscillatory flow in a milli‐channel with static internals—A numerical study
Authors: Manthani Navya , Nanavath Vijaya Lakshmi , Vedantam Sreepriya 
Published: July 2024

AbstractSuperimposition of oscillatory flow over the axial flow is expected to further enhance the mixing phenomenon based on the limited reported literature. A detailed study on the physics of such superimposed flows will be useful to widen the scope of application of static mixers with superimposed oscillatory flow in continuous modes of operation for several purposes. The flow behaviour of a water–vinyl acetate system in a milli‐channel with static internals is studied under the laminar flow regime using computational fluid dynamics (CFD) as a tool. A CFD model is developed and validated with reported literature on a Kenics static mixer. The effect of oscillatory flow superimposed over the axial flow in a milli‐channel is studied for Ren = 5 and Reo = 20–65. Residence time distribution (RTD) studies have been carried out and compared numerically for two different geometries, (1) tube without an internal and (2) tube with internals, for two different velocities, (1) net axial velocity and (2) superimposed oscillatory velocity. Results of these RTD studies indicate a sharp distribution in the channel with static internals having superimposed oscillatory flow followed by the channel with static internals with net axial velocity and then a tube without an internal. It is also found that Péclet number (Pe) for static internals with oscillatory flow > net axial flow > tube without an internal (736 > 641 > 315). Further, velocity magnitude, pressure, and Q‐criterion are discussed in detail to understand fluid flow behaviour in the milli‐channel. From this research, it is understood that superimposing oscillatory flow along with static internals resulted in enhanced mixing when compared with a tube with no internal.