bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interface Engineering of Flower‐like Co2P/WO3−x/Carbon Cloth Catalysts with Oxygen Vacancies for Efficient Oxygen Evolution Reaction
Authors: Guo Hui , Pan Lu , Jiang Huimin , Gao Mengyou , Wang Hong , Khan Aslam , Siddiqui Nasir A. , Lin Jianjian 
Published: October 2024

AbstractThe Constructing an efficient and low‐cost oxygen evolution reaction (OER) electrocatalyst is critical for improving the performance of electrolysis in alkaline water. In this study, a self‐supported electrocatalyst of flower‐like cobalt phosphide and tungsten oxide (Co2P/WO3−x/CC) was prepared on carbon cloth (CC) surface by hydrothermal reaction with solution immersion etching and phosphorization annealing under H2/Ar atmosphere. This strategy can generate oxygen vacancies (OV), improving the speed of charge transfer between cobalt phosphide (Co2P) and tungsten oxide (WO3−x) components. The catalyst greatly increases the electrochemical active surface area, which is beneficial for efficient oxygen evolution. Electrochemical testing studies show that in 1.0 M KOH solution, Co2P–WO3−x/CC catalyst exhibits good OER activity, with a low overpotential of 254 mV at 10 mA cm−2, a small Tafel slope of 58.32 mV dec−1. The synergistic effect of oxygen vacancies and Co2P with WO3−x can regulate electronic structures, expose more active sites, and cooperatively enhancing the OER activity. This study provides a workable strategy for preparing efficient non‐noble metal OER electrocatalysts on engineered interfaces and OV.
Overcoming the Challenges of Hyperpolarizing Substrates with Parahydrogen‐Induced Polarization in an MRI System
Authors: de Maissin Henri , Ivantaev Vladislav , Mohiuddin Obaid , Berner Stephan , von Elverfeldt Dominik , Zaitsev Maxim , Kiselev Valerij , Schmidt Andreas B. 
Published: October 2024

AbstractHyperpolarization of 13C nuclei in biomolecules and their administration as imaging agents enables in‐vivo monitoring of metabolism. This approach has demonstrated potential for deriving imaging biomarkers for cancer detection, differentiation, and therapy efficacy assessment. The in situ generation of polarized substrates using a permanent addition of parahydrogen to an unsaturated precursor inside the bore of an MRI system used for subsequent imaging circumvents the need for a dedicated external polarizer. This approach reduces polarization loss associated with sample transfer, minimizes hardware requirements and cost, and results in reduced spatial requirements. However, performing INEPT‐like pulsed sequences for heteronuclear spin‐order transfer in the bore of an MRI system is challenged by poor uniformity of static and excitation magnetic field and molecular convection during the polarization transfer. Therefore, here we characterize these effects, implement a robust modification to the pulse sequence, and measure experimentally the polarization improvement upon modification of the sequence. After rigorous optimization of the parameters, we obtained a 13C polarization of 44.5 % for 50 mM of the 1‐13C site of ethyl acetate‐d6. Our parahydrogen‐induced polarization approach enhances the accessibility to hyperpolarized MRI, circumventing the need for an external polarizer.
When the Study of the Post‐Synthetic Modification Method on a 1D Spin Crossover Coordination Polymer Highlights its Catalytic Activity
Authors: Lai Yongjian , Enríquez‐Cabrera Alejandro , Ronci Alexia , Salmon Lionel , Routaboul Lucie , Bousseksou Azzedine 
Published: October 2024

AbstractWe are interested in studying the catalytic activity of the spin crossover (SCO) complex ([Fe(NH2trz)3](NO3)2). In this work, we demonstrate that, by adapting the experimental conditions, we can switch from a quantitative post‐synthetic modification (PSM) reaction to the use of this complex as a catalyst for the formation of imine from 4‐amino‐1,2,4‐triazole. During the catalytic reaction, the iron complex undergoes two different PSM reactions: the first is the action of the aldehyde on the NH2 groups present on the complex, whereas the second PSM reaction occurs between the imine complex and aminotriazole, leading back to the starting complex. These two PSM reactions are at least partially involved in the catalytic mechanism. Furthermore, the combination of these two PSM reactions enables us to modulate the particle size and shape of the final amine complex without altering its excellent SCO properties. This result is of interest in the field of heterogeneous catalysis, where particle size has a strong influence on the catalytic activity, and for the proper integration in devices for different applications.
A Strongly Coupled 1T’‐ReSe2@2H‐MoSe2 van der Waals Heterostructure for Efficient Electrocatalytic Hydrogen Evolution at High Current Densities
Authors: Zhang Xingchen , Zhang Dongfang , Zhou Dingyi , Chen Xinya , Zhang Jinying , Wang Zhiyong 
Published: October 2024

AbstractDeveloping efficient and durable non‐noble metal electrocatalysts for high current‐density hydrogen evolution reactions (HER) is a pressing requirement for commercial industrial electrolyzers. In this study, a vertical 1T’‐ReSe2@2H‐MoSe2 van der Waals heterostructure was developed through interface engineering to enhance the advantages of each component and expose numerous active sites. Experimental investigations and density functional theory calculations demonstrate significant electronic coupling at the interface between 1T’‐ReSe2 and 2H‐MoSe2, with suitable Gibbs free energy for hydrogen adsorption. The 1T’‐ReSe2@2H‐MoSe2 heterostructure catalyst achieves high current density HER with low overpotentials of 191 mV to generate up to 800 mA/cm2 in 0.5 M H2SO4, outperforming commercial 5 % Pt/C catalysts. Moreover, this catalyst exhibits rapid reaction kinetics and long‐term durability, illustrating a successful approach to designing efficient heterostructure electrocatalysts for hydrogen production through interface engineering.
Longitudinal trends in testicular volume z scores from puberty to adulthood, sperm quality, and paternity outcomes after childhood cancer
Authors: Korhonen Melanie , Jahnukainen Kirsi , Koskela Mikael 
Published: October 2024

ABSTRACTBackgroundChildhood cancer therapy may cause subfertility. This study correlated cancer therapy exposures with testicular volumes from puberty to adulthood, spermatogenesis, and paternity outcomes in adulthood.MethodsThe study population comprised 255 male childhood cancer survivors (CCS) (survival ≥5 years, diagnosed in 1964–2000 at the Helsinki Children's Hospital) whose testicular volume was measured at ages 12 years (n = 38), 14 years (n = 57), 16 years (n = 63), 18 years (n = 105), and in adulthood (n = 43; median age, 27 years). Testicular volumes were converted to age‐specific z scores. In addition, 92 CCS provided semen sample in adulthood (median age, 25.2 years); and paternity was evaluated through national register data (mean age at assessment, 37.6 years; n = 252).ResultsCompared with age‐specific reference values, CCS generally exhibited low testicular volume z scores at ages 12–18 years. Testicular volume z scores in CCS treated exclusively with chemotherapy returned to the reference range in adulthood. In contrast, patients exposed to testicular radiation ≥1 gray (Gy) (median dose, 12 Gy) showed no late recovery in testicular size. Testicular radiation ≥1 Gy and a cyclophosphamide equivalent dose ≥12 g/m2 were identified as risk factors for azoospermia in adulthood. Patients exposed to testicular radiation ≥1 Gy and a cyclophosphamide equivalent dose ≥4 g/m2 had lower paternity rates.ConclusionsTesticular volume growth after prolonged follow‐up suggests a potential late recovery of spermatogenesis in CCS treated exclusively with chemotherapy. However, alkylating agents increased the risk of having prolonged azoospermia and nonpaternity. High‐dose testicular radiation causes long‐term depletion of spermatogonia and was the strongest risk factor for azoospermia and nonpaternity.
Mapping Health Pathways: A Network Analysis for Improved Illness Prediction
Authors: Singhal Ankur Kumar , Singh Anurag 
Published: October 2024

ABSTRACTComplex networks and network reconstruction have now become powerful tools for exploring relationships and interactions within systems across various fields to identify patterns and increase predictive accuracy. It provides a structured framework to investigate the relations or connections among individual components or entities within a system. Recently, the importance of the healthcare prediction model in life‐saving efforts has increased. A model is proposed for health prediction that uses network reconstruction methods to build a network from available information, representing features as nodes and the relationships between them as edges. Subsequently, a method is introduced to calculate the value of the decision parameter () for predicting an individual's health status. The proposed model shows substantial improvement over the current state of the prediction model. The first aim of the proposed model is to classify an individual into their appropriate class properly. Another contribution of the proposed model is to measure the factors that are responsible for classifying an individual into a class that shows its significance and impact over the existing state‐of‐the‐art. It provides a new dimension to the prediction mode, emphasizing the importance of identifying critical features and their interdependencies for personalized health diagnostics.
Weighted Centroid Amorphous Algorithm for Position Error Minimization in WSN
Authors: Tripathy Pujasuman , Khilar P. M. 
Published: October 2024

ABSTRACTWireless Sensor Networks (WSNs) have numerous applications, one of which is localization. Localization is crucial for determining the position of unknown sensor nodes in the deployment environment. Localization techniques are broadly classified into two categories: range based and range‐free. Range‐free localization techniques are gaining popularity as they are easy to implement and do not require external hardware. In this proposed work, a hybrid localization algorithm named the Weighted Centroid Amorphous algorithm is proposed to reduce the position error in WSN. Instead of the conventional centroid algorithm, a weighted centroid algorithm is used. The weight in this work is considered as a function of the hop value and hop size estimated by the Amorphous algorithm. Ten nearest beacon nodes are considered to determine the coordinates of a single unknown node. The hop value and hop size of that unknown node are calculated from the 10 nearest beacon nodes, and by using the hop value and hop size, the weight is calculated. After the weight estimation, the weighted sum is calculated, and using the weighted sum, the coordinates of an unknown node are determined. Simulation results indicate that the proposed Weighted Centroid Amorphous method achieves superior accuracy, with rates of 90.41%, 89.57%, and 86.10% compared to the traditional Amorphous, improved Amorphous, and Ensemble approach, respectively.
From GPU to CPU (and Beyond): Extending Hardware Support in GPUSPH Through a SYCL‐Inspired Interface
Authors: Bilotta Giuseppe 
Published: October 2024

ABSTRACTWhile most software is originally designed for serial or parallel execution on CPU, and porting to GPU comes later in its development, GPUSPH was designed from the ground up to run on GPUs using CUDA. Making it accessible to a wider audience by introducing support for other computational hardware, and in particular CPUs, poses challenges that are complementary to the ones normally faced when porting CPU code to GPU. We present the approach we have adopted to support CPUs as computational devices in GPUSPH with minimal code changes and low developer effort. Detailed benchmarks illustrating the performance of the implementation and its scalability across multiple cores in both single‐socket and NUMA configurations show good strong and weak scaling.
Organohalogenochromism: Toward Colorimetric Detection of Volatile Organic Halogen Compounds
Authors: Kozuka Kumpei , Imato Keiichi , Ooyama Yousuke 
Published: October 2024

AbstractA significant hypsochromic or bathochromic shift of photoabsorption bands of dyes may be observed only in halogenated solvents. Such specific solvatochromism is termed organohalogenochromism (OHC), which has been recently recognized as a photophysical phenomenon. However, few studies have been carried out on the elucidation of OHC and thus there is a limited insight into the mechanism for expression of OHC, although the phenomenon not only is of a great scientific interest in photochemistry, photophysics, analytical chemistry, and synthetic organic chemistry but also has great potential for development of colorimetric detection technique for organohalogen compounds; this technique is expected to be facile operation and simple analysis with sufficient accuracy, high sensitivity, and fast response, and thus allows visualization and real‐time monitoring for toxic volatile organohalogen compounds (VOHCs). In this Concept, we first review OHC of dyes which have been reported so far. Second, the elucidation of OHC based on the interactions between dye and organohalogen molecules are discussed. In particular, we propose the explanation for a pronounced OHC of donor‐π‐acceptor‐type cationic dye from the viewpoint of halogen bond (XB) between halogenated solvents and counter anion of cationic dye. Moreover, an application of organohalogenochromic dyes to colorimetric sensors for VOHCs is presented.
Barriers and Facilitators to Implementing Restorative Justice in Nebraska
Authors: Votruba Ashley M. , Blankley Kristen M. , PytlikZillig Lisa M. 
Published: October 2024

ABSTRACTAlthough the codification of restorative justice processes has increased in the United States, the implementation of these processes has been limited and piecemeal. This article considers barriers and facilitators of implementing restorative justice programs in the context of juvenile justice, from the perspective of individuals tasked with implementation in Nebraska—a state with a robust community mediation system providing restorative justice processes. We interviewed 11 persons currently or formerly employed by community mediation centers in Nebraska in positions coordinating restorative justice programs. Interviewees represented all six Nebraska mediation centers. Using thematic analysis, we identified themes for both barriers and facilitators for implementing restorative justice programs throughout the state. The barriers to implementing restorative justice reflected six distinct, but sometimes overlapping, themes: awareness of restorative justice; attitudes about restorative justice; lack of necessary resources; process issues; lack of trust in “the system” or centers; and policy barriers. The analysis also identified eight distinct themes associated with facilitators of restorative justice: support from a “champion”; outreach efforts; trust and relationship building; demonstrating that restorative justice is effective; collaboration; maintaining necessary funding; local community‐driven implementation; and state government‐driven implementation. We consider the implications of these findings for the implementation of restorative justice processes in Nebraska and beyond.
A 24–30‐GHz Modified Gilbert‐Cell Downconverter With High Linearity and Isolation
Authors: Fejzullahu Ajten , Alper Ozkan Tahsin , Bilgin Alp , Yazici Melik , Gurbuz Yasar 
Published: October 2024

ABSTRACTThis paper introduces a downconverter mixer employing a modified double‐balanced Gilbert‐cell topology, designed using IHP's 0.13‐m SiGe BiCMOS technology. Distinct from the conventional topology, a resonator was employed at the emitter of the transconductance stage, which enables the utilization of transconductance stage as an active balun, allowing for direct feeding of the single‐ended input without sacrificing the advantageous of the double‐balanced topology. The integration of the resonator reduces the amplitude and phase errors within the active balun segment, thereby enhancing port‐to‐port isolation. The area occupied by the resonator is approximately 1.7 times smaller than that of an RF transformer balun typically employed in conventional double‐balanced topologies. The LO and IF differential signals are converted to single‐ended ones through transformer baluns for measurement purposes. The frequencies of operation for RF, LO, and IF are 24–30, 18–24, and 6 GHz, respectively. The conversion loss is 7.7 dB at 26 GHz, with port‐to‐port isolations exceeding 35 dB. The input 1‐dB compression point is 5.7 dBm, while the circuit consumes 65‐mW power from a 3.3‐V voltage supply. Excluding the pads, the active area of the design spans 1 mm2.
The Pyramidalization of sp2 Centers in 3/2‐Systems Is a “Structural Breathing” Independent of Energy
Authors: Brunner Henri , Ikeshita Masahiro , Tsuno Takashi 
Published: October 2024

AbstractIn 3/2‐systems, such as the acetate anion H3CαC′OO−, an sp3 center and an sp2 center are connected by a covalent bond. The interaction of threefold and twofold symmetry results in the pyramidalization of the sp2 center during rotation about bond Esp3−Esp2. Rotation angles ψ=0°, ±60°, ±120°, and ±180° account for conformations with a symmetry plane containing the planar sp2 center CαC′OO. However, in all conformations with rotation angles ψ≠0°, ±60°, ±120°, and ±180° this symmetry plane is lost and pyramidalization must occur with maxima at rotation angles ψ=±30°, ±90°, and ±150°, because the two sides of the sp2 center CαC′OO are different. Inevitably, this leads to a pyramidalization/rotation profile θ/ψ with three maxima, three minima, and six zero‐crossings. Thus, myriads of 3/2‐compounds pyramidalize their sp2 centers each moment to the order of about 2° in a coupled pyramidalization/rotation molecular motion independent of energy.
Synthesis of Chiral Axially Diaryl Aldehydes by Chiral Phosphoric Acid Catalyzed Desymmetrization Reaction
Authors: Yuan Lutong , Cui Lixin , Liu Yuheng , Bao Wenkai , Zhu Qiaohong , Zeng Xiaofei 
Published: October 2024

AbstractAxially chiral biaryl aldehydes are precursors for the synthesis of axially chiral compounds and novel chiral catalysts of great interest, which play vital roles in extensive research fields. However, limited strategies exist for the efficient synthesis of axially chiral aldehydes, and the construction of structurally diverse axially chiral aldehydes remains challenging. Herein, a strategy is reported for the synthesis of biaryl axially chiral aldehydes with varying structures from biaryl dialdehydes and aromatic amines in the presence of a chiral phosphoric acid catalyst. This protocol features excellent enantioselectivity, mild conditions, and good functional‐group tolerance.
Failure characteristics of overlying strata and mechanism of strong ground pressure during the large‐scale and continuous mining of deep multi working faces
Authors: Zhang Defei , Gao Yanan , Zhang Guangkai , Tang Zhenwei , Ding Feng , Gao Mingzhong 
Published: October 2024

AbstractIn this study, a three‐dimensional large‐scale numerical model is established to investigate the failure characteristics of overlying strata and mechanism of strong ground pressure induced by excavation disturbance from multiple working faces. The characteristics of overlying strata fractures, heights of the caving zone and the fracture zone, and evolution of the stress field are systematically analyzed. The numerical simulation results reveal that the height of the caving zone after mining is 8.1 m, and that of the fracture zone is 27.3 m under the conditions of gently inclined thin coal seams. These findings are consistent with the theoretical results. The fracture development process can be divided into three stages: extensive development of new fractures, partial compaction of fractures, and closure of numerous fractures. In the structure of the post‐mining overlying rock, four stress zones are identified as follows: two zones of stress concentration at both ends of the working face, respectively, a zone of relatively high stress at the middle of the working face with low overlying strata, and a zone of stress fully released at the middle of the working face with high overlying strata. Comprehensive analysis of the maximum vertical stress of the cross section and the stress of the working face indicates that the stress increases significantly when mining enters the gob square stage and the roof does not collapse timely.
Complexity and synchronization of carbon and new energy markets based on multiscale entropy
Authors: Fu Jianru , Sun Ying , Liu Xiaonan , Hong Bing , Li Shicheng 
Published: October 2024

AbstractThis study provides a comprehensive analysis of the dynamic evolution of complexity and synchrony between the carbon market and the new energy market from 2019 to 2023, employing multiscale sample entropy and cross‐sample entropy methods. The study shows that, both in the long term and short term, the complexity of the new energy market consistently exceeds that of the carbon market. Additionally, the carbon and new energy markets exhibit higher synchronization on smaller scales. As the time scale increases, interactions between the carbon and new energy markets become more complex and diverse. According to these findings, it is recommended that policymakers improve the transparency of the new energy market, optimize the operational mechanisms of the carbon market, and ensure that carbon reduction strategies and new energy policies are mutually coordinated. This holds significant importance for both carbon reduction targets and the development of new energy.
Career Guidance and Employment Issues for Neurodivergent Individuals: A Scoping Review and Stakeholder Consultation
Authors: Bölte Sven , Carpini Joseph Alexander , Black Melissa H. , Toomingas Allan , Jansson Frida , Marschik Peter B. , Girdler Sonya , Jonsson Marina 
Published: October 2024

ABSTRACTGrowing recognition of neurodivergence amongst individuals poses challenges for career counselors and human resource practitioners when advising, guiding, and supporting the careers of this diverse group. Despite the potential for neurodivergent individuals to contribute to organizations, career guidance for these individuals is a relatively new area. We conducted a multidisciplinary project comprising a scoping review and stakeholder consultation to generate evidence‐based recommendations for identifying and supporting career paths that lead to positive employment outcomes for neurodivergent individuals. The scoping review included 78 articles on career guidance and associated employment issues (e.g., facilitators and barriers to employment) for neurodivergent individuals, while stakeholders, including neurodivergent individuals, counselors, and others, provided insights into their employment experiences. Our scoping review yielded nine themes: career guidance practice, predictors of employment, employment interventions, different forms of employment, work barriers and facilitators, strengths and challenges, person‐job fit, occupation and industry fit, and employment outcomes. The stakeholder consultations complemented the scholarly themes. Results were interpreted using the Stone and Colella theoretical model of factors influencing the treatment of people with disabilities. The model was extended across educational and work contexts, and to include the nature of occupations and industries. Building on this project and our overarching theoretical model, we map a future research agenda for the study of careers amongst neurodivergent individuals. Specifically, we highlight persistent methodological limitations of the literature before turning to theoretical implications across career stages. We conclude with practical implications for career counselors and human resource practitioners. Ultimately, our review calls for researchers and practitioners to help promote sustainable, high‐quality, and fulfilling careers for neurodivergent individuals.