bluuebunny/crossref_metadata_2025_split huggingface dataset:
Semiparametric evaluation of first‐passage distribution for step‐stress accelerated degradation tests
Authors: Palayangoda Lochana , Ng Hon Keung Tony , Li Ling 
Published: April 2024

AbstractIn reliability engineering, different types of accelerated degradation tests have been used to obtain reliability information for evaluating highly reliable or expensive products. The step‐stress accelerated degradation test (SSADT) is one of the useful experimental schemes that can be used to save the resources of an experiment. Motivated by the SSADT data for operational amplifiers collected in Xi'an Microelectronic Technology Institute, in which the underlying degradation mechanism of the operational amplifiers is unknown, we propose a semiparametric approach for SSADT data analysis that does not require strict distributional assumptions. Specifically, the empirical saddlepoint approximation method is proposed to estimate the items' lifetime (first‐passage time) distribution at both stress levels included and not included in the SSADT experiment. Monte Carlo simulation studies are used to evaluate the performance and illustrate the advantages of the proposed approach. Finally, the proposed semiparametric approach is applied to analyze the motivating data set.
A Microporous Gel Polymer Electrolyte with High Mg2+ Ionic Conductivity at Room Temperature
Authors: Liu Jiawei , Yan Yigang , Wicaksana Filicia , Wei Shanghai 
Published: April 2024

AbstractRechargeable magnesium batteries have attracted much attention due to the high theoretical volumetric capacity, abundance, and safety. However, solid‐state Mg batteries have been rarely studied because of limited choices of solid‐state electrolyte materials. In this research, poly(vinylidene fluoride)/poly(propylene carbonate) (PVDF/PPC) as matrix were prepared using a simple solution casting method. Ethylene carbonate (EC), diethyl carbonate (DEC), and magnesium(II) bis(trifluoromethanesulfonyl) imide [Mg(TFSI)2] were selected to prepare liquid electrolyte. A classification of novel gel polymer electrolytes (GPEs), PVDF/PPC/Mg(TFSI)2, was synthesized and investigated. The electrochemical measurements show that PVDF/PPC/Mg(TFSI)2 polymer electrolytes exhibit a high ionic conductivity, close to 10−2 S cm−1, at room temperature. The electrochemical stability window of PVDF/PPC‐based GPE was up to 3 V (versus Mg2+/Mg). Materials characterization shows that these GPEs have a porous structure, providing a pathway for magnesium ion transport. Thermal analysis and crystal structure results indicate that PVDF crystallinity was affected by the addition of PPC. Additionally, the ion transport mechanism in the gel polymer electrolyte has been discussed.
The impact of Fintech on corporate carbon emissions: Towards green and sustainable development
Authors: Wang Chang'an , Wang Long , Zhao Shikuan , Yang Cunyi , Albitar Khaldoon 
Published: April 2024

AbstractFintech, as the fusion of finance and technology, has not only transformed the traditional financial industry and contributed to reshaping the real economy. But also, it holds the potential to offer a feasible solution for achieving green and sustainable development. This paper investigates the impact of Fintech on corporate carbon emissions (CCEs) by using data from the National Tax Survey Database (NTSD). The results suggest that Fintech development leads to a reduction in CCEs. Our findings remain robust even after using the instrumental variable approach to alleviate endogeneity problems. The mechanism analysis reveals that Fintech reduces CCEs via alleviating financing constraints, improving energy efficiency, and promoting green innovation. Heterogeneity analysis demonstrates that Fintech dramatically decreases CCEs from coal energy consumption, while increasing CCEs from consuming power and gas energy. Additionally, carbon emissions from state‐owned and foreign companies experience a more pronounced reduction through Fintech compared to those from private firms. Furthermore, firms in eastern and middle regions are more vulnerable to Fintech development. Moreover, enterprises in non‐high‐tech industries and high‐polluting industries exhibit noteworthy performance in reducing carbon emissions through Fintech adoption. This research offers policymakers a path to effectively govern CCEs and achieve their carbon reduction targets.
What would an existential approach bring to research supervision in postgraduate psychotherapy and counselling psychology education?
Authors: Wharne Simon , Arnold‐Baker Claire , Hakim‐Dowek Nancy 
Published: April 2024

AbstractBackgroundQualitative/phenomenological research approaches are popular in counselling psychology and psychotherapy post‐graduate training. This article attends to the experience of research supervision in this setting, where there is a need for containment, compassion, clarity and empathy (Counselling and Psychotherapy Research, 2021a, 22, 689).AimsThis article aims to bring the philosophical development of qualitative/phenomenological research back into focus. It asks what extra value would be brought to the supervision of trainees through existential awareness and phenomenological exploration. The authors offer ways in which existential awareness can be developed and utilised in research supervision.Materials and MethodsThe results of a small survey into the experiences of students are used to ground our observations in practice.ResultsA relational tension is implied, where trust and good communication are essential. An existential anxiety could be prompted, when a trainee's world shifts from being homely, to uncanny and strange. In these experiences of groundlessness, the world no longer provides a sense of certainty about one's possibilities, and one feels estranged and uncomfortably self‐aware. Fostering this awareness can mean that teaching and supervisory relationships are experienced in their intersubjective, free and creative dynamics.DiscussionAttending to Threshold Concepts can support the transformational nature of professional training, which is often an experience of uncertainty. Likewise, Socratic Questioning and irony contribute to the development of critical thinking, reflexivity and the harnessing of assumptions.ConclusionExistential awareness will enable the development of more authentic relationships across the therapeutic and educational encounters of training.
Lysosomal Peptide Self‐Assembly to Control Cell Behavior
Authors: Li Sangshuang , Wang Huaimin 
Published: April 2024

AbstractLysosomes are membrane‐enclosed organelles that play key roles in degrading and recycling cellular debris, cellular signaling, and energy metabolism processes. Confinement of amphiphilic peptides in the lysosome to construct functional nanostructures through noncovalent interactions is an emerging approach to tune the homeostasis of lysosome. After briefly introducing the importance of lysosome and its functions, we discuss the advantages of lysosomal nanostructure formation for disease therapy. We next discuss the strategy for triggering the self‐assembly of peptides in the lysosome, followed by a concise outlook of the future perspective about this emerging research direction.
Interplay Between Substrate Polarity and Protein Dynamics in Evolved Kemp Eliminases
Authors: Peccati Francesca , Noey Elizabeth L. , Houk K. N. , Osuna Silvia , Jiménez‐Osés Gonzalo 
Published: April 2024

AbstractExtensive molecular dynamics (MD) simulations on designed and evolved enzymes for the Kemp Elimination were performed. Over thirty different systems including combinations of three protein scaffolds used in computational design (KE70, KE59 and HG3), several directed evolution variants and ligands (5‐nitrobenzo[d]isoxazole, and 6‐nitro‐1H‐benzo[d][1,2,3]triazole), were screened computationally. The study was focused mostly on computational and evolved variants for which X‐ray structures are available. MD simulations were used to monitor the organization of the active sites over time periods of 100 ns. A general trend was observed in the simulations: the optimal organization of active site residues, corresponding to the most active catalysts, is only maintained with polarized, TS‐like substrates, reinforcing the crucial role of protein dynamics and electrostatic preorganization for efficient biocatalysis. Implications for enzyme design protocols are discussed.
Mechanisms of Mn(V)‐Oxo to Mn(IV)‐Oxyl Conversion: From Closed‐Cubane Photosystem II to Mn(V) Catalysts and the Role of the Entering Ligands
Authors: Ariafard Alireza , Longhurst Matthew , Swiegers Gerhard F. , Stranger Robert 
Published: April 2024

AbstractThe low activation barrier for O−O coupling in the closed‐cubane Oxygen‐Evolving Centre (OEC) of Photosystem II (PSII) requires water coordination with the Mn4 ′dangler′ ion in the Mn(V)‐oxo fragment. This coordination transforms the Mn(V)‐oxo complex into a more reactive Mn4(IV)‐oxyl species, enhancing O−O coupling. This study explains the mechanism behind the coordination and indicates that in the most stable form of the OEC, the Mn4 fragment adopts a trigonal bipyramidal geometry but needs to transition to a square pyramidal form to be activated for O−O coupling. This transition stabilizes the Mn4 dxy orbital, enabling electron transfer from the oxo ligand to the dxy orbital, converting the oxo ligand into an oxyl species. The role of the water is to coordinate with the square pyramidal structure, reducing the energy gap between the oxo and oxyl forms, thereby lowering the activation energy for O−O coupling. This mechanism applies not only to the OEC system but also to other Mn(V)‐based catalysts. For other catalysts, ligands such as OH− stabilize the Mn(IV)‐oxyl species better than water, improving catalyst activation for reactions like C−H bond activation. This study is the first to explain the Mn(V)‐oxo to Mn(IV)‐oxyl conversion, providing a new foundation for Mn‐based catalyst design.
Xanthene‐Based Dyes for Photoacoustic Imaging and their Use as Analyte‐Responsive Probes
Authors: Brøndsted Frederik , Stains Cliff I. 
Published: April 2024

AbstractDeveloping imaging tools that can report on the presence of disease‐relevant analytes in multicellular organisms can provide insight into fundamental disease mechanisms as well as provide diagnostic tools for the clinic. Photoacoustic imaging (PAI) is a light‐in, sound‐out imaging technique that allows for high resolution, deep‐tissue imaging with applications in pre‐clinical and point‐of‐care settings. The continued development of near‐infrared (NIR) absorbing small‐molecule dyes promises to improve the capabilities of this emerging imaging modality. For example, new dye scaffolds bearing chemoselective functionalities are enabling the detection and quantification of disease‐relevant analytes through activity‐based sensing (ABS) approaches. Recently described strategies to engineer NIR absorbing xanthenes have enabled development of analyte‐responsive PAI probes using this classic dye scaffold. Herein, we present current strategies for red‐shifting the spectral properties of xanthenes via bridging heteroatom or auxochrome modifications. Additionally, we explore how these strategies, coupled with chemoselective spiroring‐opening approaches, have been employed to create ABS probes for in vivo detection of hypochlorous acid, nitric oxide, copper (II), human NAD(P)H: quinone oxidoreductase isozyme 1, and carbon monoxide. Given the versatility of the xanthene scaffold, we anticipate continued growth and development of analyte‐responsive PAI imaging probes based on this dye class.
Hydrosilylation of Olefins Activated on Highly Lewis‐Acidic Calcium Cation
Authors: Grochowska‐Tatarczak M. , Koteras K. , Kazimierczuk K. , Malinowski P. J. 
Published: April 2024

AbstractThe report introduces simple yet highly reactive calcium salt, Ca[Al(ORF)4]2 (RF=C(CF3)3), 1, which effectively catalyses olefin hydrosilylation through an unusual mechanism involving the activation of the alkene molecule. Upon dissolution in o‐difluorobenzene (oDFB), 1 forms a highly Lewis acidic [Ca(oDFB)6]2+ complex. Our DFT calculations reveal that fluoride ion affinity is comparable to SbF5. Reactivity tests show that it effectively catalyses the hydrosilylation of olefins with high regioselectivity, also in reactions involving sterically demanding substrates like (iPr)3SiH or tetrasubstituted olefins. Experimental and computational results point to the mechanism where the olefin molecule forms a complex with Ca2+, which significantly facilitates the attack of H‐SiR3 on the C=C double bond.
Artificial Neural Networks for Gas‐Liquid Flow Regime Classification in Small Channels
Authors: Haase Stefan , May Henry , Hiller Andreas , Schubert Markus 
Published: April 2024

AbstractThe reliable design of multiphase micro‐structured apparatus requires a precise knowledge of the internal flow regime. Previous research indicated that classifiers based on artificial neural networks (ANN) are relatively simple to develop and provide a reasonable accuracy when trained with data for specific inlet designs. This paper introduces advanced ANN classifiers capable of predicting all relevant flow regimes regardless of the inlet design with a recall of 94 % and above for Taylor, churn, dispersed, rivulet, and parallel flows, between 89 % and 94 % for annular and bubbly flows, and 83 % for Taylor‐annular flow. These classifiers were trained and validated by using more than 13,000 experimental data points extracted from 97 flow maps.
Anisotropic Plasmon Resonance Enables Spatially Controlled Photothermal and Photochemical Effects in Hot Carrier‐Driven Catalysis
Authors: Wang Jiaqi , Zhu Zhijie , Feng Kai , Liu Shuang , Zhou Yuxuan , Urooj Ifra , He Jiari , Wu Zhiyi , Shen Jiahui , Hu Xu , Chen Zhijie , Dong Xudong , Sohail Manzar , Ma Yanyun , Chen Jinxing , Li Chaoran , An Xingda , He Le 
Published: April 2024

Comprehensive SummaryLocalized surface plasmon resonance has been demonstrated to provide effective photophysical enhancement mechanisms in plasmonic photocatalysis. However, it remains highly challenging for distinct mechanisms to function in synergy for a collective gain in catalysis due to the lack of spatiotemporal control of their effect. Herein, the anisotropic plasmon resonance nature of Au nanorods was exploited to achieve distinct functionality towards synergistic photocatalysis. Photothermal and photochemical effects were enabled by the longitudinal and transverse plasmon resonance modes, respectively, and were enhanced by partial coating of silica nanoshells and epitaxial growth of a reactor component. Resonant excitation leads to a synergistic gain in photothermal‐mediated hot carrier‐driven hydrogen evolution catalysis. Our approach provides important design principles for plasmonic photocatalysts in achieving spatiotemporal modulation of distinct photophysical enhancement mechanisms. It also effectively broadens the sunlight response range and increases the efficacy of distinct plasmonic enhancement pathways towards solar energy harvesting and conversion.
Transforming the oncology data paradigm by creating, capturing, and retrieving structured cancer data at the point of care: A Mayo Clinic pilot
Authors: Tevaarwerk Amye J. , Karam Dhauna , Gatten Clare A. , Harlos Elizabeth S. , Maurer Matthew J. , Giridhar Karthik V. , Haddad Tufia C. , Alberts Steven R. , Holton Sara J. , Stockham Abigail , Leventakos Konstantinos , Hubbard Joleen M. , Mansfield Aaron S. , Halfdanarson Thorvardur R. , Chen Ruqin , Jochum Jacob A. , Schwecke Anna S. , Eiring Rachel A. , Carroll Jamie L. , Riaz Irbaz Bin , McWilliams Robert R. , Galanis Evanthia , Mandrekar Sumithra J. 
Published: April 2024

AbstractIntroductionStructured data capture requires defined languages such as minimal Common Oncology Data Elements (mCODE). This pilot assessed the feasibility of capturing 5 mCODE categories (stage, disease status, performance status (PS), intent of therapy and intent to change therapy).MethodsA tool (SmartPhrase) using existing and custom structured data elements was Built to capture 4 data categories (disease status, PS, intent of therapy and intent to change therapy) typically documented as free‐text within notes. Existing functionality for stage was supported by the Build. Participant survey data, presence of data (per encounter), and time in chart were collected prior to go‐live and repeat timepoints. The anticipated outcome was capture of >50% sustained over time without undue burden.ResultsPre‐intervention (5‐weeks before go‐live), participants had 1390 encounters (1207 patients). The median percent capture across all participants was 32% for stage; no structured data was available for other categories pre‐intervention. During a 6‐month pilot with 14 participants across three sites, 4995 encounters (3071 patients) occurred. The median percent capture across all participants and all post‐intervention months increased to 64% for stage and 81%–82% for the other data categories post‐intervention. No increase in participant time in chart was noted. Participants reported that data were meaningful to capture.ConclusionsStructured data can be captured (1) in real‐time, (2) sustained over time without (3) undue provider burden using note‐based tools. Our system is expanding the pilot, with integration of these data into clinical decision support, practice dashboards and potential for clinical trial matching.
Prediabetes is associated with increased cardiac events in patients with cancer who are prescribed anthracyclines
Authors: Cheang Iokfai , Zhu Xu , Huang Jia‐Yi , Tse Yi‐Kei , Li Hang‐Long , Ren Qing‐Wen , Wu Mei‐Zhen , Chan Yap‐Hang , Xu Xin , Tse Hung‐Fat , Gue Ying , Lip Gregory Y. H. , Li Xinli , Yiu Kai‐Hang 
Published: April 2024

AbstractBackgroundPrediabetes, which is a precedent of overt diabetes, is a known risk factor for adverse cardiovascular outcomes. Its impact on adverse cardiovascular outcomes in patients with cancer who are prescribed anthracycline‐containing chemotherapy (ACT) is uncertain. The objective of this study was to evaluate the association of prediabetes with cardiovascular events in patients with cancer who are prescribed ACT.MethodsThe authors identified patients with cancer who received ACT from 2000 to 2019 from Clinical Data Analysis Reporting System of Hong Kong. Patients were divided into diabetes, prediabetes, and normoglycemia groups based on their baseline glycemic profile. The Primary outcome, a major adverse cardiovascular event (MACE), was the composite event of hospitalization for heart failure and cardiovascular death.ResultsAmong 12,649 patients at baseline, 3997 had prediabetes, and 5622 had diabetes. Over median follow‐up of 8.7 years, the incidence of MACE was 211 (7.0%) in the normoglycemia group, 358 (9.0%) in the prediabetes group, and 728 (12.9%) in the diabetes group. Compared with normoglycemia, prediabetes (adjusted hazard ratio [HR], 1.20; 95% confidence interval [CI], 1.01–1.43) and diabetes (adjusted HR, 1.46; 95% CI, 1.24–1.70) were associated with an increased risk of MACE. In the prediabetes group, 475 patients (18%) progressed to overt diabetes and exhibited a greater risk of MACE (adjusted HR, 1.76; 95% CI, 1.31–2.36) compared with patients who remained prediabetic.ConclusionsIn patients with cancer who received ACT, those who had prediabetes at baseline and those who progressed to diabetes at follow‐up had an increased risk of MACE. The optimization of cardiovascular risk factor management, including prediabetes, should be considered in patients with cancer who are treated before and during ACT to reduce cardiovascular risk.Plain Language Summary

Patients with cancer who have preexisting diabetes have a higher risk of cardiovascular events, and prediabetes is often overlooked.
In this study of 12,649 patients with cancer identified in the Clinical Data Analysis Reporting System of Hong Kong who were receiving treatment with anthracycline drugs, prediabetes was correlated with increased deaths from cardiovascular disease and/or hospitalizations for heart failure.
Patients who progressed from prediabetes to diabetes within 2 years had an increased risk of combined hospitalization for heart failure and death from cardiovascular disease.
These findings indicate the importance of paying greater attention to cardiovascular risk factors, including how prediabetes is managed, in patients who have cancer and are receiving chemotherapy with anthracyclines, emphasizing the need for surveillance, follow‐up strategies, and consideration of prediabetes management in cancer care.
Wetting Effect Induced Depletion and Adsorption Layers: Diffuse Interface Perspective
Authors: Zhang Haodong , Zhang Hongmin , Wang Fei , Nestler Britta 
Published: April 2024

AbstractWhen a multi‐component fluid contacts arigid solid substrate, the van der Waals interaction between fluids and substrate induces a depletion/adsorption layer depending on the intrinsic wettability of the system. In this study, we investigate the depletion/adsorption behaviors of A−B fluid system. We derive analytical expressions for the equilibrium layer thickness and the equilibrium composition distribution near the solid wall, based on the theories of de Gennes and Cahn. Our derivation is verified through phase‐field simulations, wherein the substrate wettability, A−B interfacial tension, and temperature are systematically varied. Our findings underscore two pivotal mechanisms governing the equilibrium layer thickness. With an increase in the wall free energy, the substrate wettability dominates the layer formation, aligning with de Gennes’ theory. When the interfacial tension increases, or temperature rises, the layer formation is determined by the A−B interactions, obeying Cahn's theory. Additionally, we extend our study to non‐equilibrium systems where the initial composition deviates from the binodal line. Notably, macroscopic depletion/adsorption layers form on the substrate, which are significantly thicker than the equilibrium microscopic layers. This macroscopic layer formation is attributed to the interplay of phase separation and Ostwald ripening. We anticipate that the present finding could deepen our knowledge on the depletion/adsorption behaviors of immiscible fluids.
2D Tellurium Films Based Self‐Drive Near Infrared Photodetector
Authors: Li Luji , Zhang Gaojie , Younis Muhammad , Luo Tianyuan , Yang Li , Jin Wen , Wu Hao , Xiao Bichen , Zhang Wenfeng , Chang Haixin 
Published: April 2024

AbstractTo reduce the amount of energy consumed in integrated circuits, high efficiency with the lowest energy is always expected. Self‐drive device is one of the options in the pursuit of low power nanodevices. It is a typical strategy to form an internal electric field by constructing a heterojunction in self‐drive semiconductor system. Here, a two‐step method is proposed to prepare high quality centimeter‐sized 2D tellurium (Te) thin film with hall mobility as high as 37.3 cm2 V−1 s−1, and the 2D Te film is further assembled with silicon to form a heterojunction for self‐drive photodetector, which can realize effective detection from visible to near infrared bands. The photodetectivity of the heterojunctions can reach 1.58×1011 Jones under the illumination of 400 nm@ 1.615 mW/cm2 and 2.08×108 Jones under the illumination of 1550 nm@ 1.511 mW/cm2 without bias. Our experiments demonstrate the potential of 2D tellurium thin films for wide band and near infrared integrated device applications.