bluuebunny/crossref_metadata_2025_split huggingface dataset:
General method to synthesize aggregation‐induced emission molecules via carbon‐sulfur bond activation
Authors: Ma Bowei , Liang Xinyu , Xu Gu , Zhang Guanghao , Zhao Lutang , Ma Liangzhuo , Xie Wenbin , Li Xiang , Shi Qinqin , Wen Kaikai , Huang Hui 
Published: August 2024

AbstractPoly‐substituted olefins, one of the most important aggregation‐induced emission luminogens (AIEgens), have garnered significant attention due to their various applications in chemical‐ and bio‐sensing, bio‐imaging, and opto‐electronics. However, the synthetic methods for these olefins remain limited, impeding the progress of AIEgens. This study introduces an unprecedented cross‐coupling reaction between aryl sulfonium triflates and tosylhydrazones from naturally abundant thioethers and ketones. The generality of this method is exemplified by the facile synthesis of over forty poly‐substituted olefins. Importantly, the luminescent properties of these AIEgens (e.g., quantum yield and emission color) can be easily tuned by adjusting the substituents of the electrophile and nucleophile substrates, exhibiting excellent performance in bio‐imaging. Notably, the mechanistic studies reveal the critical role of β‐H elimination in the formation of the double bond. This contribution provides an efficient method to synthesize poly‐substituted olefins, pushing forward the development of AIEgens.
Thiol treatment tunes interfacial wettability for electrochemical alkynol semi‐hydrogenation
Authors: Zha Xingzhou , Zhao Yuan , Jiang Hongliang , Li Chunzhong 
Published: August 2024

AbstractElectrocatalytic semi‐hydrogenation of alkynols holds tremendous advantages over conventional thermocatalysis process. However, the selectivity‐activity seesaw effect is a principal obstacle to its further development. Inspired by interfacial self‐assembled monolayers, alkanethiols with different alkyl chain lengths are employed to modify the Cu surface for controllably modulating the activity and selectivity in the semi‐hydrogenation of alkynols. 1‐dodecanethiol‐modified Cu nanowires (Cu NWs) exhibit the optimal electrosynthesis of 2‐methyl‐3‐buten‐2‐ol with excellent specific selectivity (above 93%) in the semi‐hydrogenation of 2‐methyl‐3‐butyn‐2‐ol. Mechanistic studies reveal that the proportion of liquid‐like water increases while the proportion of isolated water reduces at the hydrophobic interface. Moreover, we assemble a larger 3 × 100 cm2 electrolyzer stack, which can deliver a single‐pass alkynol conversion rate of 95% and an excellent alkenol selectivity of 94% at a 15 A stack current. Eventually, the Cu NWs catalyst with thiol treatment is also applicable to the semi‐hydrogenation of various unsaturated alkynols.
Pan‐Canadian estimates of the prevalence and risks associated with critical wandering among home care clients
Authors: Cruz Antonio Miguel , Perez Hector , Jantzi Micaela , Liu Lili , Hirdes John P. 
Published: August 2024

AbstractINTRODUCTIONWe used clinical assessment records to provide pan‐Canadian estimates of the prevalence and risks associated with recent (within the last 3 days) critical wandering among home care clients, with and without dementia.METHODSThe data source is interRAI Home Care (interRAI HC) assessments. The population was all long‐stay home care clients assessed between 2004 and 2021 in seven Canadian provinces and territories (N = 1,598,191). We tested associations between wandering and cognition and dementia diagnoses using chi‐square tests and logistic regression.RESULTSApproximately 84% of the sample was over the age of 65. The overall rate of recent wandering was 3.0%. Dementia diagnosis was strongly associated with two to four times higher rates in the prevalence of recent critical wandering.DISCUSSIONInterRAI HC offers insights into the wandering risk of home care clients. This information should be used to manage risks in the community and could be shared with first responders.Highlights
In all the study regions combined, the rate of recent wandering is 3.0%.
Dementia was associated with 18 times greater prevalence of recent critical wandering.
Home care clients at risk of wandering have complex clinical profiles that pose important risks for their health and well‐being.
Collaboration and information sharing between search and rescue and health professions is essential for managing risks related to critical wandering.
Population‐Based Evidence for the Use of Serum Neurofilaments as Individual Diagnostic and Prognostic Biomarkers in Amyotrophic Lateral Sclerosis
Authors: Witzel Simon , Huss André , Nagel Gabriele , Rosenbohm Angela , Rothenbacher Dietrich , Peter Raphael S. , Bäzner Hansjörg , Börtlein Axel , Dempewolf Silke , Schabet Martin , Hecht Martin , Kohler Andreas , Opherk Christian , Naegele Andrea , Sommer Norbert , Lindner Alfred , Alexudis Christoforos , Bachhuber Franziska , Halbgebauer Steffen , Brenner David , Ruf Wolfgang , Weiland Ulrike , Mayer Benjamin , Schuster Joachim , Dorst Johannes , Tumani Hayrettin , Ludolph Albert C. ,   and the ALS Registry Swabia Study Group
Published: August 2024

ObjectiveNeurofilament light chains (NfL) and phosphorylated neurofilament heavy chains (pNfH), established as diagnostic and prognostic biomarkers in hospital‐based amyotrophic lateral sclerosis (ALS) cohorts, are now surrogate markers in clinical trials. This study extends their evaluation to a population level, with the aim of advancing their full establishment and assessing the transferability of biomarker findings from controlled cohorts to real‐world ALS populations.MethodsWe measured serum NfL and pNfH levels in all ALS patients (n = 790) and general population controls (n = 570) with available baseline samples participating in the epidemiological ALS Registry Swabia, providing platform‐specific (ELLA™) reference data and Z‐scores for controls, as well as reference data, disease‐specific Z‐scores and longitudinal data in ALS. We evaluated the diagnostic and prognostic utility of neurofilaments and quantified the impact of ALS‐related factors and non‐ALS confounders.ResultsNeurofilaments showed high diagnostic and prognostic utility at the population level, with NfL superior to pNfH. The novel concept of a population‐based ALS Z‐score significantly improved the prognostic utility compared to absolute raw values. Both biomarkers increased more strongly with age in controls than in ALS, and age adjustment improved diagnostic accuracy. Our data show that disease progression rates, ALS phenotype, body mass index (BMI), and renal function need to be considered when interpreting neurofilament levels; longitudinal neurofilament levels were generally stable in individual patients, especially when adjusted for age and baseline levels.InterpretationPopulation‐based assessment enhances the utility of particularly serum NfL as a diagnostic and prognostic biomarker in ALS and improves the translation of findings from controlled cohorts to real‐world populations. ANN NEUROL 2024;96:1040–1057
Understanding the Role of Spin State in Cobalt Oxyhydroxides for Water Oxidation
Authors: Jia Hongnan , Yao Na , Liao Zhichang , Wu Liqing , Zhu Juan , Lao Yunhao , Luo Wei 
Published: August 2024

AbstractAlthough the electronic state of catalysts is strongly corrected with their oxygen evolution reaction (OER) performances, understanding the role of spin state in dynamic electronic structure evolution during OER process is still challenging. Herein, we developed a spin state regulation strategy to boost the OER performance of CoOOH through elemental doping (CoMOOH, M=V, Cr, Mn, Co and Cu). Experimental results including magnetic characterization, in situ X‐ray absorption spectroscopy, in situ Raman and density functional theory calculations unveil that Mn doping could successfully increase the Co sites from low spin state to intermediate spin state, leading to the largest lattice distortion and smallest energy gap between dxy and dz2 orbitals among the obtained CoMOOH electrocatalysts. Benefiting from the promoted electron transfer from dxy to dz2 orbital, facilitated formation of active high‐valent *O−Co(IV) species at applied potential, and reduced energy barrier of rate‐determining step, the CoMnOOH exhibits the highest OER performance. Our work provides significant insight into the correction between dynamic electronic structure evolution and OER performance by understanding the role of spin state regulation in metal oxyhydroxides, paving a new avenue for rational design of high‐activity electrocatalysts.
Complex Dance of Molecules in the Sky: Choreography of Intermolecular Structure and Dynamics in the Cyclopentene−CO2−H2O Hetero Ternary Cluster
Authors: Tian Xiao , Lei Juncheng , Gao Tianyue , Zou Siyu , Wang Xiujuan , Li Meiyue , Wang Chenxu , Chen Junhua , Grabow Jens‐Uwe , Jäger Wolfgang , Gou Qian 
Published: August 2024

AbstractThis study delves into driving forces behind the formation of a hetero ternary cluster consisting of volatile organic compounds from industrial or combustion sources, specifically cyclopentene, alongside greenhouse gases like carbon dioxide, and water vapor. While substantial progress has been made in understanding binary complexes, the structural intricacies of hetero ternary clusters remain largely uncharted. Our research characterized the cyclopentene−CO2−H2O hetero ternary cluster utilizing Fourier transform microwave spectroscopy. The observed isomer in the pulsed jet has CO2 and H2O aligning above the cyclopentene ring, with water undergoing an internal rotation approximately about its C2 symmetry axis. Theoretical analyses support these observations, identifying an O−H⋅⋅⋅π hydrogen bond and a secondary C⋅⋅⋅O tetrel bond within this cluster. This study marks a critical step towards comprehending the molecular dynamics and interactions of VOCs, greenhouse gases, and water in the atmosphere, paving the way for further investigations into their roles in climate dynamics and air quality.
Perfect Is Perfect: Nickel Prussian Blue Analogue as A High‐Efficiency Electrocatalyst for Hydrogen Peroxide Production
Authors: Xi Yamin , Xiang Yitong , Zhang Chaoqi , Bao Tong , Zou Yingying , Zou Jin , Wei Guangfeng , Wang Lei , Xu Hongyi , Yu Chengzhong , Liu Chao 
Published: August 2024

AbstractPrussian blue analogues (PBA) are a large family of functional materials with diverse applications such as in electrochemical fields. However, their use in the emerging two‐electron oxygen reduction reaction for clean production of hydrogen peroxide (H2O2) is lagging. Herein, a general solvent exchange induced reconstruction strategy is demonstrated, through which an abnormal NiNi‐PBA superstructure is synthesized as a high‐performance electrocatalyst for H2O2 generation. The resultant NiNi‐PBA superstructure has a stoichiometric composition with saturated lattice water, and a leaf‐like morphology composed of interconnected small‐size nanosheets with identical orientation and predominate {210} side surface exposure. Our studies show that the Ni−N centers on {210} facets are the active sites, and the saturated lattice H2O favors a six‐coordinated environment that results in high selectivity. The “perfect” structure including stoichiometric composition and ideal facet exposure leads to a high selectivity of ~100 % and H2O2 yield of 5.7 mol g−1 h−1, superior to the reported MOF‐based electrocatalysts and most other electrocatalysts.
Do Political Relations Colour Chinaʼs Trade With Southeast Asian Partners? A Vector Autoregression Approach
Authors: Harrington Brandon 
Published: August 2024

ABSTRACTThis paper investigates whether and how export growth to China varies following shocks in bilateral political relations between China and six Southeast Asian countries—Indonesia, Malaysia, the Philippines, Singapore, Thailand and Vietnam—between 2000 and 2019. High‐frequency news data is used to quantify bilateral political relations between each of the six countries and China. Then, a net cooperation index, plus separate indices of political cooperation and conflict, are placed in an augmented gravity model of trade situated in a vector autoregression framework alongside real exchange rate and industrial production variables to examine the short‐ (months) and long‐run (years) effects of shocks to bilateral political relations on each countryʼs exports growth to China. The results reveal that political relations with China played a role in Thailandʼs and Vietnamʼs exports growth to China but not in Indonesiaʼs, Malaysiaʼs, the Philippinesʼ and Singaporeʼs, and contribute new findings to the literature on politics and trade. Code and data for the analysis is available at: https://github.com/tradepolsrepository/tradepols.git.
Bilingualism and second‐order theory of mind development in autistic children over time: Longitudinal relations with language, executive functions, and intelligence
Authors: Peristeri Eleni , Vogelzang Margreet , Tsimpli Ianthi Maria , Durrleman Stephanie 
Published: August 2024

AbstractTheory of Mind has long been studied as a core weakness in autism spectrum disorder due to its relationship with social reciprocity, while bilingualism has been shown to compensate for autistic individuals' mentalizing weaknesses. However, our knowledge of the Theory of Mind developmental trajectories of bilingual and monolingual autistic children, as well as of the factors related to Theory of Mind development in autism spectrum disorder is still limited. The current study has examined first‐ and second‐order Theory of Mind skills in 21 monolingual and 21 bilingual autistic children longitudinally across three time points, specifically at ages 6, 9, and 12, and also investigated associations between Theory of Mind trajectories and trajectories of the children's language, intelligence and executive function skills. The results reveal that bilingual autistic children outperformed their monolingual peers in second‐order Theory of Mind at ages 9 and 12, and that intelligence and, especially, expressive vocabulary skills played a pivotal role in advancing bilingual autistic children's second‐order Theory of Mind development. On the other hand, monolingual autistic children only managed to capitalize on their language and intelligence resources at age 12. The findings highlight the importance of investigating bilingualism effects on autistic children's advanced cognitive abilities longitudinally.
Multidose transient transfection of human embryonic kidney 293 cells modulates recombinant adeno‐associated virus2/5 Rep protein expression and influences the enrichment fraction of filled capsids
Authors: Srinivasan Prasanna , Canova Christopher T. , Sha Sha , Nguyen Tam N. T. , Joseph John , Sangerman Jose , Maloney Andrew J. , Katsikis Georgios , Ou Rui Wen , Hong Moo Sun , Ng Jaclyn , Yuan Arella , Antov Daniel , Song Sally , Chen Wenyu , Neufeld Caleb , Wolfrum Jacqueline M. , Barone Paul W. , Sinskey Anthony J. , Springs Stacy L. , Braatz Richard D. 
Published: August 2024

AbstractRecombinant adeno‐associated virus (rAAV) is a commonly used in vivo gene therapy vector because of its nonpathogenicity, long‐term transgene expression, broad tropism, and ability to transduce both dividing and nondividing cells. However, rAAV vector production via transient transfection of mammalian cells typically yields a low fraction of filled‐to‐total capsids (~1%–30% of total capsids produced). Analysis of our previously developed mechanistic model for rAAV2/5 production attributed these low fill fractions to a poorly coordinated timeline between capsid synthesis and viral DNA replication and the repression of later phase capsid formation by Rep proteins. Here, we extend the model by quantifying the expression dynamics of total Rep proteins and their influence on the key steps of rAAV2/5 production using a multiple dosing transfection of human embryonic kidney 293 (HEK293) cells. We report that the availability of preformed empty capsids and viral DNA copies per cell are not limiting to the capsid‐filling reaction. However, optimal expression of Rep proteins (<240 ± 13 ag per cell) enables enrichment of the filled capsid population (>12% of total capsids/cell) upstream. Our analysis suggests increased enrichment of filled capsids via regulating the expression of Rep proteins is possible but at the expense of per cell capsid titer in a triple plasmid transfection. Our study reveals an intrinsic limitation of scaling rAAV2/5 vector genome (vg) production and underscores the need for approaches that allow for regulating the expression of Rep proteins to maximize vg titer per cell upstream.
Competency‐based TPACK approaches to computational thinking and integrated STEM: A conceptual exploration
Authors: Dolgopolovas Vladimiras , Dagiene Valentina 
Published: August 2024

AbstractIn this conceptual study, we explore the incorporation of computational thinking (CT) within integrated Science, Technology, Engineering, and Mathematics (STEM) education, aiming to enhance the Technological Pedagogical Content Knowledge (TPACK) framework for teacher professional development. Despite the fundamental role of mathematics in K‐16 and engineering education, its theoretical and practical dimensions in a transdisciplinary STEM context and its interlinks with CT remain underexplored. This gap extends to the professional development of teachers in research‐oriented STEM environments, which presents significant challenges. The study aims to address these issues by repositioning cognitive‐adaptive competencies such as CT and design thinking (DT) as a crucial enabler for STEM teacher professional competency, advocating for a move beyond normative approaches. We comprehensively analyze the integration efforts of CT in STEM, which often rely on declarative definitions without substantive practical implications. The study poses questions on (1) how CT can be effectively integrated into STEM, (2) the characteristics of the normative‐adaptive model for teacher education, and (3) the development of a conceptual educational framework focused on mathematical modeling, simulation design, and student engagement in research. Drawing on innovative educational practices, we scrutinize the integration of CT and DT through examples from mathematics, emphasizing the importance of developing computational models and algorithms. Ultimately, we propose a competency‐centered normative‐adaptive‐context aware model of STEM integration (NACAMS)‐TPACK model that enhances the classical TPACK framework by interlinking computational, design, and general pedagogical competencies. This study is particularly relevant for educators, policymakers, and researchers involved in K‐16 STEM and engineering education.
Synthesis, Evaluation and Docking Studies of Disubstituted N‐Heterocyclic Derivatives as Anticancer Agents
Authors: Gopireddy Sreenivasulu Reddy , Panwar Vivek , Sarkar Ankan , Jain Manish , Tejaswini Kothapalli Bannoth , Chandrasekhar Kothapalli Bannoth , Kumar Deepak 
Published: August 2024

AbstractCancer is a chronic disease reported with alarming rates of mortalities every year. Herein, we reported the synthesis of nitrogen based novel heterocyclic disubstituted derivatives and evaluated them against L929 and A549 cell lines using MTT assay. Among all, 6a2 and 6c1 were significantly active against L929 with IC50 value of 2.61±9.58 and 2.64±8.97 μg/mL respectively. Compounds 6a2 and 6c1 were also active against A549 with IC50 value of 2.36±9.20 and 2.43±6.28 μg/mL respectively and were found to be more potent than the standard drug Doxorubicin. A molecular docking study of the active compounds was also done against EGFR, conferring good binding affinity and binding interactions. Further biological investigations may provide valuable insights towards exploring the therapeutic potential of the active compounds in future.
Energy‐Efficient Hydrogen Liquefaction Process with Ortho‐Para Conversion and Boil‐Off Gas Recovery
Authors: Wen Jian , Xie Haolin , Zhao Xin , Li Ke 
Published: August 2024

AbstractHydrogen liquefaction is essential for the efficient storage and transportation of hydrogen. In the liquefaction process, catalytic ortho‐para conversion is crucial to achieve a product with at least 95 % para‐hydrogen to reduce boil‐off losses. The proposed hydrogen liquefaction process using a catalyst‐filled heat exchanger for continuous ortho‐para conversion is modeled through steady‐state thermal simulations in Aspen HYSYS. Additionally, an ejector is integrated to reliquefy boil‐off gas. The proposed design achieves a specific energy consumption (SEC) of 10.50 kWh ()−1 and an exergy efficiency (EXE) of 30.1 %, which is 18 % lower in SEC compared to processes with separate converters. The integrated approach enhances energy utilization and offers references for future hydrogen liquefiers.
Visible Light Promoted de Mayo Type Reaction of Bicyclo[1.1.0]butanes
Authors: Yang Chunming , Hu Minmin , Hu Chaoqin , Mi Xueling , Luo Sanzhong 
Published: August 2024

AbstractWe reported herein a visible light mediated de Mayo‐type reaction between 1,3‐diketones and BCB. The reaction proceeds through a [2π+2σ] cycloaddition and retro‐aldol sequence, producing cis‐difunctionalized cyclobutanes in high yields with good regio‐ and diastereoselectivity.
Constructing Dual‐Phase Co9S8‐CoMo2S4 Heterostructure as an Efficient Trifunctional Electrocatalyst for Oxygen Reduction, Oxygen Evolution and Hydrogen Evolution Reactions
Authors: Wang Wenjie , Chen Yuqing , Qiao Shanshan , Zhao Jing , Zhao Wenlong , Wei Yike , Tang Yanhong , Liu Chengbin 
Published: August 2024

AbstractDesigning robust, efficient and inexpensive trifunctional electrocatalysts for the oxygen reduction reaction (ORR), oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) is significant for rechargeable zinc‐air batteries and water‐splitting devices. To this end, constructing heterogenous structures based on transition metals stands out as an effective strategy. Herein, a dual‐phase Co9S8‐CoMo2S4 heterostructure grown on porous N, S‐codoped carbon substrate (Co9S8‐CoMo2S4/NSC) via a one‐pot synthesis is investigated as the trifunctional ORR/OER/HER electrocatalyst. The optimized Co9S8‐CoMo2S4/NSC2 exhibits that ORR has a half‐wave potential of 0.86 V (vs. RHE) and the overpotentials at 10 mA cm−2 for OER and HER are 280 and 89 mV, respectively, superior to most transition‐metal based trifunctional electrocatalysts reported to date. The Co9S8‐CoMo2S4/NSC2‐based zinc‐air battery (ZAB) has a high open‐circuit voltage (1.41 V), large capacity (804 mAh g−1) and highly stable cyclability (97 h at 10 mA cm−2). In addition, the prepared Co9S8‐CoMo2S4/NSC2‐based ZAB in series can self‐drive the corresponding water‐splitting device. The dual‐phase Co9S8‐CoMo2S4 heterostructure provides not only multi‐type active sites to drive the ORR, OER and HER, but also high‐speed charge transfer channels between two phases to improve the synergistic effect and reaction kinetics.