bluuebunny/crossref_metadata_2025_split huggingface dataset:
Statistical Analyses of Court Decisions: An Example of Multilevel Models of Sentencing
Authors: Dhami Mandeep , Belton Ian Keith 
Published: November 2016

Statistical Analyses of Court Decisions: An Example of Multilevel Models of Sentencing
Quantitative empirical research into legal decisions must be conducted using statistical tools that are appropriate for the data involved. Court decisions are one example of a domain where the data is intrinsically hierarchical (i.e., multilevel), since decisions are made on individual cases by decision-makers in courts located across geographical (or jurisdictional) areas. Past research into court decisions has often either neglected higher level variables or incorrectly used single-level statistical models to analyze multilevel data. The lack of a clear understanding about when and why multilevel statistical models are required may have contributed to this situation. In this paper, we identify the problems of estimating single-level models on hierarchically structured data, and consider the advantages of conducting multilevel analyses under these circumstances. We use the example of criminal sentencing research to illustrate the arguments for the use of multilevel models and against a single-level approach. We also highlight some issues to be addressed in future sentencing studies.
Carga Horária Prática na Formação de Professores de Computação e Informática Educativa
Authors: Cruz Marcia Kniphoff da , Hinterholz Lucas , Becker Fernando 
Published: November 2016

Este artigo apresenta a importância da Carga Horária Prática como Componente Curricular (CHPCC) para formação do professor de Computação e Informática Educativa. Esse estudo emerge de pesquisa em andamento junto ao Programa de Pós-Graduação em da Universidade Federal . Apresenta referencial baseado na aproximação teórica entre Epistemologia Genética e Neurociência Cognitiva. Conclui que a divisão da CHPCC realizado na contempla os aspectos legais exigidos pela legislação vigente e forma os estudantes com a devida propriedade para atuação na Educação Básica.
Pico and nanoplankton abundance and carbon stocks along the Brazilian Bight
Authors: Gérikas Ribeiro Catherine , Lopes dos Santos Adriana , Marie Dominique , Helena Pellizari Vivian , Pereira Brandini Frederico , Vaulot Daniel 
Published: November 2016

Pico and nanoplankton communities from the Southwest Atlantic Ocean along the Brazilian Bight are poorly described. The hydrography in this region is dominated by a complex system of layered water masses, which includes the warm and oligotrophic Tropical Water (TW), the cold and nutrient rich South Atlantic Central Water (SACW) and the Coastal Water (CW), which have highly variable properties. In order to assess how pico- and nanoplankton communities are distributed in these different water masses, we determined by flow cytometry the abundance of heterotrophic bacteria,Prochlorococcus,Synechococcusand autotrophic pico and nanoeukaryotes along three transects, extending from 23°S to 31°S and 39°W to 49°W. Heterotrophic bacteria (including archaea, maximum of 1.5 × 106cells mL−1) were most abundant in Coastal and Tropical Water whereasProchlorococcuswas most abundant in open-ocean oligotrophic waters (maximum of 300 × 103cells mL−1).Synechococcus(up to 81 × 103cells mL−1), as well as autotrophic pico and nanoeukaryotes seemed to benefit from the influx of nutrient-rich waters near the continental slope. Autotrophic pico and nanoeukaryotes were also abundant in deep chlorophyll maximum (DCM) layers from offshore waters, and their highest abundances were 20 × 103cells mL−1and 5 × 103cells mL−1, respectively. These data are consistent with previous observations in other marine areas whereSynechococcusand autotrophic eukaryotes dominate mesotrophic waters, whereasProchlorococcusdominate in more oligotrophic areas. Regardless of the microbial community structure near the surface, the carbon stock dominance by autotrophic picoeukaryotes near the DCM is possibly linked to vertical mixing of oligotrophic surface waters with the nutrient-rich SACW and their tolerance to lower light levels.
Trapping Tetravalent Tin and Protecting Stannous in Tin‐Lead Mixed Perovskites for Efficient All‐Perovskite Tandem Solar Cells
Authors: Zeng Guojun , Chen Weiqing , Guan Hongling , Meng Weiwei , Cui Hongsen , Zhou Shun , Huang Lishuai , Pu Dexin , Fang Hongyi , Liu Haiyang , Hou Shaocong , Yu Ting , Fang Guojia , Ke Weijun 
Published: September 2024

AbstractTin‐lead (Sn‐Pb) mixed perovskite solar cells (PSCs), which serve as bottom subcells in all‐perovskite tandem solar cells, are pivotal for developing highly efficient solar cells. However, the vulnerability of stannous (Sn2+) to spontaneous oxidation to harmful tetravalent tin (Sn4+) presents significant challenges. Here, a “mouse glue trap” strategy is proposed to mitigate this issue by introducing a multifunctional additive, oxamidic acid potassium salt (OAPS). This approach effectively traps undesired Sn4+ impurities through strong interactions between the oxaminic acid groups of OAPS and Sn4+ impurities. Additionally, OAPS, with its unique functional groups, can inhibit Sn2+ oxidation, passivate defects, alleviate stress, and improve crystalline quality in Sn‐Pb mixed perovskite films. As a result, the enhanced Sn‐Pb mixed narrow‐bandgap PSCs incorporating OAPS achieve a power conversion efficiency of 22.04% and exhibit improved storage stability, with 91% retention after 3072 h of storage in an N2‐filled glovebox. Moreover, all‐perovskite tandem cells using OAPS‐incorporated Sn‐Pb narrow‐bandgap PSCs as subcells demonstrate efficiencies of 27.17% and 28.31% for two‐terminal and four‐terminal tandems, respectively, presenting a straightforward approach to optimizing performance in Sn‐Pb mixed PSCs and their tandems.
Flavin–Iodine‐Catalyzed Aerobic Oxidative Tandem C(sp3)−H Imination and Amination: Synthesis of Fluorescent Imidazo[1,5‐a]pyridines from Pyridylmethanes and Aminomethanes
Authors: Fukuda Tatsuki , Miyake Hazuki , Abe Sota , Yagishita Fumitoshi , Iida Hiroki 
Published: September 2024

AbstractAerobic oxidative tandem C(sp3)−H imination and amination between pyridylmethane and aminomethane derivatives was demonstrated using a flavin–iodine‐coupled catalyst. This method provides a simple and atom‐economical synthesis of various 1,3‐substituted imidazo[1,5‐a]pyridines with fluorescent properties. The flavin–iodine catalyst efficiently promoted multiple reactions, including the oxygenation of pyridylmethane and subsequent oxidative C−N bond formation, utilizing only molecular oxygen, which is a sustainable ideal oxidant. The resulting 1‐ester‐substituted imidazo[1,5‐a]pyridine derivatives exhibited dual‐state emission in both solution and solid states. In particular, imidazo[1,5‐a]pyridine with a bulky 2,6‐dichlorophenyl substituent showed an apparent blue emission with good photoluminescence (PL) quantum yields (0.49 in CH2Cl2 solution and 0.39 in the solid state), making it promising candidate for use in optoelectronic devices.
Organic wheat: Lessons learned and challenges remaining
Authors: Carr Patrick M. 
Published: September 2024

AbstractWheat has been an important part of the human diet for millennia. The increase in demand for wheat grown organically in the United States and globally reflects the growing interest in organic food and food products. A symposium on organic wheat production was held during the annual meeting of the American Society of Agronomy in Baltimore, MD, during 2021. Presenters discussed the state‐of‐the‐science on organic wheat research. Papers were solicited following the symposium for inclusion in this special section. As a result, five papers are included in this special section: four focus on organic wheat research in North America while one discusses results of a European study.
Practical Access to Trisubstituted Morita‐Baylis‐Hillman‐Type Products Through Copper‐Catalyzed Reductive Aldol Reactions of Alkynones
Authors: Scheeff Stephan , Chiu Pauline 
Published: September 2024

AbstractWe report a convenient and diastereoselective copper‐catalyzed reductive alkynone aldol addition to aldehydes, with pinacolborane as stoichiometric reductant, that results in the generation of densely functionalized, trisubstituted (Z)‐enone products analogous to Morita‐Baylis‐Hillman adducts. We demonstrate that the reaction proceeds via an allenolborate, which we have characterized by NMR spectroscopy. A range of aromatic and aliphatic aldehydes can be reductively coupled with various non‐terminal alkynones.
Robo‐compliance in Australian employment services
Authors: Casey Simone 
Published: September 2024

AbstractSince the late 1990s, Australia's employment services have enforced mutual obligation compliance as part of a transition to a disciplinary regime of conditional welfare. In recent years, the digitisation of employment services has extended the disciplinary approach to self‐activation. Notably, self‐activation extends mutual obligation requirements so that online reporting is a condition of benefit eligibility, or a digital obligation, enforced by threats to financial security in the form of automated payment suspensions. Guided by recent developments in the conceptualisation of digital welfare to work programs, case study analysis is used to explore the ways the technologies of self‐activation have changed the location of power in mutual obligation compliance decisions. This shift represents a move from street‐level decision making to Robo‐compliance. The article discusses the significance of this shift in the digital administration of disciplinary social policy in employment services. It highlights the need for further empirical research to explore this shift and how it affects individuals whose social security payments depend on interactions with these technologies.
Dynamic Asymmetric Diamination of Allylic Alcohols through Borrowing Hydrogen Catalysis: Diastereo‐Divergent Synthesis of Tetrahydrobenzodiazepines
Authors: Liu Yufeng , Ji Peng , Zou Gongfeng , Liu Yongbing , Yang Bin‐Miao , Zhao Yu 
Published: September 2024

AbstractWe present herein a catalytic enantioconvergent diamination of racemic allylic alcohols with the construction of two C−N bonds and 1,3‐nonadjacent stereocenters. This iridium/chiral phosphoric acid cooperative catalytic system operates through an atom‐economical borrowing hydrogen amination/aza‐Michael cascade, and converts readily available phenylenediamines and racemic allylic alcohols to 1,5‐tetrahydrobenzodiazepines in high enantioselectivity. An intriguing solvent‐dependent switch of diastereoselectivity was also observed. Mechanistic studies suggested a dynamic kinetic resolution process involving racemization through a reversible Michael addition, making the last step of asymmetric imine reduction the enantiodetermining step of this cascade process.
Visualizing Triplet Energy Transfer in Organic Near‐Infrared Phosphorescent Host‐Guest Materials
Authors: Deng Zihao , Kong Fan‐Cheng , Deng Ziqi , Zhou Jiaming , Yang Shengyi , He Shan , Zhang Jianyu , Zuo Yunfei , Wang Jin , Chen Xinmeng , Kwok Ryan T. K. , Jia Guocheng , Chow Philip C. Y. , Phillips David Lee , Alam Parvej , Lam Jacky W. Y. , Zhong Tang Ben 
Published: September 2024

AbstractLimited by the energy gap law, purely organic materials with efficient near‐infrared room temperature phosphorescence are rare and difficult to achieve. Additionally, the exciton transition process among different emitting species in host–guest phosphorescent materials remains elusive, presenting a significant academic challenge. Herein, using a modular nonbonding orbital‐π bridge‐nonbonding orbital (n‐π‐n) molecular design strategy, we develop a series of heavy atom‐free phosphors. Systematic modification of the π‐conjugated cores enables the construction of a library with tunable near‐infrared phosphorescence from 655 to 710 nm. These phosphors exhibit excellent performance under ambient conditions when dispersed into a 4‐bromobenzophenone host matrix, achieving an extended lifetime of 11.25 ms and a maximum phosphorescence efficiency of 4.2 %. Notably, by eliminating the interference from host phosphorescence, the exciton transition process in hybrid materials can be visualized under various excitation conditions. Spectroscopic analysis reveals that the improved phosphorescent performance of the guest originates from the triplet‐triplet energy transfer of abundant triplet excitons generated independently by the host, rather than from enhanced intersystem crossing efficiency between the guest singlet state and the host triplet state. The findings provide in‐depth insights into constructing novel near‐infrared phosphors and exploring emission mechanisms of host–guest materials.
Selective Cross‐Metathesis Versus Ring‐Closing Metathesis of Terpenes, Taking the Path Less Travelled
Authors: Iudanov Keren , Nechmad Noy B. , Poater Albert , Lemcoff N. Gabriel 
Published: September 2024

AbstractA diiodo ruthenium olefin metathesis pre‐catalyst was employed to achieve remarkably selective cross‐metathesis reactions of prenylated 1,6‐dienes, effectively overcoming the entropically favored intramolecular ring‐closing metathesis. This reaction was investigated using Density Functional Theory (DFT) computations and fine‐tuned through the application of a Design of Experiments (DoE) approach. The potential of this innovative process was demonstrated through the unprecedented functionalization of various terpene natural products via cross‐metathesis, resulting in the synthesis of new derivatives in a single step.
Tuning Reaction Kinetics of Fluorinated Molecules to Construct Robust Solid Electrolyte Interphases on SiOx Anode
Authors: Chen Shiming , Deng Zhikang , Li Jiangxiao , Zhao Wenguang , Nan Bowen , Zuo Yue , Fang Jianjun , Huang Yuxiang , Yin Zu‐Wei , Pan Feng , Yang Luyi 
Published: September 2024

AbstractIntroducing fluorinated electrolyte additives to construct LiF‐rich solid‐electrolyte interphase (SEI) on Si‐based anodes is proven an effective strategy for coping with its massive volume changes during cycling. However, most current research on fluorine‐containing additives focuses on their thermodynamics of decomposition, lacking studies on the correlation between the molecular structure of additives and their decomposition kinetics. Herein, two fluorinated ester additives, diethyl fluoromalonate (F1DEM) and diethyl 2,2‐difluoromalonate (F2DEM) were designed and synthesized. Through combining a wealth of characterizations and simulations, it is revealed that despite the similar reduction thermodynamics, the favorable reduction kinetics of single‐fluorinated F1DEM facilitate a LiF‐rich layer during the early stage of SEI formation, contributing to the formation of a more robust SEI on SiOx anode compared to the difluorinated F2DEM. Consequently, the proposed additive achieves excellent cycling stability (84 % capacity retention after 1000 cycles) for 5 Ah 21700 cylindrical batteries under practical testing conditions. By unveiling the role of reaction kinetics, a long‐overlooked aspect for the study of electrolyte additives, this work sheds light on how to construct a stable SEI on Si‐based anodes.
Nucleophilic Fluoride Anion Delivery from Triazacyclononane‐Supported Molecular Ca–F Complexes
Authors: Apolinar Omar , Struijs Job J. C. , Sarkar Debotra , Gouverneur Véronique , Aldridge Simon 
Published: September 2024

AbstractThe major source of fluoride, namely calcium difluoride (CaF2), is derived from the mineral fluorspar. Recent advances in the activation of CaF2 via mechanochemical methods have inspired investigation of the fundamental properties of Ca–F bonds in molecular complexes. However, the paucity of well‐defined molecular Ca–F‐containing complexes undermines systematic understanding of the factors governing nucleophilic fluoride delivery. Here we report the use of a multidentate bis(phenoxide) ligand based on a 1,4,7‐triazacyclononane (TACN) scaffold for the formation of well‐defined Ca–F complexes and demonstrate their capabilities in fluoride delivery. Key to this synthesis is a desymmetrization step carried out on the TACN ligand within the Ca coordination sphere. A series of stable anionic dinuclear calcium fluoride complexes has then been accessed and characterized by NMR spectroscopy (critically by 19F NMR) and X‐ray crystallography. Nucleophilic fluoride delivery can be used to generate C−F, Si–F and S−F bonds, with a notable advance over amide‐derived ligand scaffolds being the reduced extent of side reactions derived from competing attack on the electrophile by the less nucleophilic O‐donor anionic ligand set.
Single‐Component High‐Resolution Dual‐Tone EUV Photoresists Based on Precision Self‐Immolative Polymers
Authors: Cen Jie , Liu Wen , Xu Jie , Wang Xiuxia , Zhang Jialin , Zhang Jin , Deng Zhengyu , Zhou Chenggang , Hu Jinming , Liu Shiyong 
Published: September 2024

AbstractElectron beam (EB) and extreme ultraviolet (EUV) lithography are advanced techniques capable of achieving sub‐10 nm resolutions, critical for fabricating next‐generation nanostructures and semiconductor devices. However, developing EUV photoresists that meet all demands for resolution, line edge roughness (LER), and sensitivity (RLS) remains a significant challenge. Herein, we introduce high‐performance photoresists based on single‐component self‐immolative polymers (SIPs) with inherent signal amplification via cascade degradation. These SIPs function as dual‐tone photoresists under both EB and EUV lithography, with performance primarily determined by the exposure dose. Lithographic evaluations show that discrete SIPs provide significant improvements over disperse counterparts, achieving higher resolution and reduced LER. Specifically, a discrete SIP with a DP of 12 produces a line‐space pattern with a resolution of approximately 18 nm and an LER of 1.8 nm, compared to 21 nm resolution and 2.5 nm LER for disperse SIPs. Additionally, these SIP‐based photoresists, enriched with aromatic structures, exhibit excellent etch resistance. The single‐component nature and potential to address the RLS trade‐off underscore the promise of discrete SIPs for EUV lithography.
Quantum Spin Exchange Interactions Trigger O p Band Broadening for Enhanced Aqueous Zinc‐Ion Battery Performance
Authors: Wang Shiyu , Yao Shuyun , Zhang Feike , Ji Kang , Ji Yingjie , Li Jingxian , Fu Weijie , Liu Yuanming , Yang Jinghua , Liu Ruilong , Xie Jiangzhou , Yang Zhiyu , Yan Yi‐Ming 
Published: September 2024

AbstractThe pressing demand for large‐scale energy storage solutions has propelled the development of advanced battery technologies, among which zinc‐ion batteries (ZIBs) are prominent due to their resource abundance, high capacity, and safety in aqueous environments. However, the use of manganese oxide cathodes in ZIBs is challenged by their poor electrical conductivity and structural stability, stemming from the intrinsic properties of MnO2 and the destabilizing effects of ion intercalation. To overcome these limitations, our research delves into atomic‐level engineering, emphasizing quantum spin exchange interactions (QSEI). These essential for modifying electronic characteristics, can significantly influence material efficiency and functionality. We demonstrate through density functional theory (DFT) calculations that enhanced QSEI in manganese oxides broadens the O p band, narrows the band gap, and optimizes both proton adsorption and electron transport. Empirical evidence is provided through the synthesis of Ru−MnO2 nanosheets, which display a marked increase in energy storage capacity, achieving 314.4 mAh g−1 at 0.2 A g−1 and maintaining high capacity after 2000 cycles. Our findings underscore the potential of QSEI to enhance the performance of TMO cathodes in ZIBs, pointing to new avenues for advancing battery technology
Recent Advances of Organic Cocrystals in Emerging Cutting‐Edge Properties and Applications
Authors: Wang Xin , Wang Zongrui , Wang Xiang , Kang Fangyuan , Gu Qianfeng , Zhang Qichun 
Published: September 2024

AbstractOrganic cocrystals, representing one type of new functional materials, have gathered significant interest in various engineering areas. Owing to their diverse stacking modes, rich intermolecular interactions and abundant functional components, the physicochemical properties of organic cocrystals can be tailored to meet different requirements and exhibit novel characteristics. The past few years have witnessed the rapid development of organic cocrystals in both fundamental characteristics and various applications. Beyond the typical properties like ambipolarity, emission tuning ability, ferroelectricity, etc. that are previously well demonstrated, many novel, impressive and cutting‐edge properties and applications of cocrystals are also emerged and advanced recently. Especially during the nearest five years, photothermal conversion, room‐temperature phosphorescence, thermally activated delay fluorescence, circularly polarized luminescence, organic solid‐state lasers, near‐infrared sensing, photocatalysis, batteries, and stimuli responses have been reported. In this review, these new properties are carefully summarized. Besides, some neoteric architecture and methodologies, such as host–guest structures and machine learning‐based screening, are introduced. Finally, the potential future developments and expectations for organic cocrystals are discussed for further investigations on multiple functions and applications.
Antimony Component Schottky Nanoheterojunctions as Ultrasound‐Heightened Pyroptosis Initiators for Sonocatalytic Immunotherapy
Authors: Nie Jihu , Yang Nailin , Sun Shumin , Wang Li , Pei Zifan , Wu Jie , Yu Qiao , Han Zhihui , Chen Youdong , Cheng Liang 
Published: September 2024

AbstractPyroptosis, an inflammatory modality of programmed cell death associated with the immune response, can be initiated by bioactive ions and reactive oxygen species (ROS). However, bioactive ion‐induced pyroptosis lacks specificity, and further exploration of other ions that can induce pyroptosis in cancer cells is needed. Sonocatalytic therapy (SCT) holds promise due to its exceptional penetration depth; however, the rapid recombination of electron‐hole (e−‐h+) pairs and the complex tumor microenvironment (TME) impede its broader application. Herein, we discovered that antimony (Sb)‐based nanomaterials induced pyroptosis in cancer cells. Therefore, Schottky heterojunctions containing Sb component (Sb2Se3@Pt) were effectively designed and constructed via in situ growth of platinum (Pt) nanoparticles (NPs) on Sb2Se3 semiconductor with narrow band gaps, which were utilized as US‐heightened pyroptosis initiators to induce highly effective pyroptosis in cancer cells to boost SCT‐immunotherapy. Under US irradiation, excited electrons were transferred from Sb2Se3 nanorods (NRs) to the co‐catalyst Pt via Schottky junctions, and band bending effectively prevented electron backflow and achieved efficient ROS generation. Moreover, the pores oxidized and depleted the overexpressed GSH in the TME, potentially amplifying ROS generation. The biological effects of the Sb2Se3@Pt nanoheterojunction itself combined with the sonocatalytic amplification of oxidative stress significantly induced Caspase‐1/GSDMD‐dependent pyroptosis in cancer cells. Therefore, SCT treatment with Sb2Se3@Pt not only effectively restrained tumor proliferation but also induced potent immune memory responses and suppressed tumor recurrence. Furthermore, the integration of this innovative strategy with immune checkpoint blockade (ICB) treatment elicited a systemic immune response, effectively augmenting therapeutic effects and impeding the growth of abscopal tumors. Overall, this study provides further opportunities to explore pyroptosis‐mediated SCT‐immunotherapy.