bluuebunny/crossref_metadata_2025_split huggingface dataset:
Performance of Hybrid Strategies Combining MDockPP and AlphaFold2 in CAPRI Rounds 47–55
Authors: Duan Rui , Xu Xianjin , Qiu Liming , Zhang Shuang , Zou Xiaoqin 
Published: February 2025

ABSTRACTCAPRI challenges offer a range of blind tests for biomolecule interaction prediction. This study evaluates the performance of our prediction protocols for the human group Zou and the server group MDockPP in CAPRI rounds 47–55, highlighting the impact of AlphaFold2 (AF2) and the effectiveness of massive sampling approaches. Prior to AlphaFold2's release, our methods relied on homology modeling and docking‐based protocols, achieving limited accuracy due to constraints in structural templates and inherent docking limitations. After AlphaFold2's public release, which demonstrated breakthrough accuracy in protein structure prediction, we integrated its multimer models and massive sampling techniques into our protocols. This integration significantly improved prediction accuracy, with human predictions increasing from 1 correct interface of 19 pre‐AlphaFold2 to 4 of 8 post‐AlphaFold2. The massive sampling approach further enhanced performance, particularly for targets T231 and T233, yielding medium‐quality models that default parameters could not achieve.
Temporariness in the Life Course of Multi‐local Residents: Processuality of Home
Authors: Willecke Maya 
Published: February 2025

ABSTRACTIn late modern societies characterized by increasing mobility and individualization, temporary living and working arrangements are no longer a rare phenomenon. In many life biographies, temporary and multi‐local periods, with more than one place of residence, have become common. This paper adopts a life course perspective to explore how temporary experiences influence individuals’ perceptions of their current multi‐local arrangements and future aspirations. Moreover it investigates how multi‐local residents perceive and realize home in their life course. Based on biographical interviews with multi‐local residents in two German cities, Frankfurt am Main and Leipzig, this study aims to deepen our understanding of multi‐local living arrangement from a life course perspective and to examine its implications on the processuality of home.
Treatment pathways in Finnish patients with pulmonary arterial hypertension (PAH) or chronic thromboembolic pulmonary hypertension (CTEPH)
Authors: Pentikäinen Markku , Simonen Piia , Leskelä Pauliina , Harju Terttu , Jääskeläinen Pertti , Asseburg Christian , Oksanen Minna , Soini Erkki , Wennerström Christina , Puhakka Airi ,   the FINPAH study group
Published: February 2025

AbstractTreatment patterns of pulmonary arterial hypertension (PAH) and chronic thromboembolic pulmonary hypertension (CTEPH) in Finland are unknown. Guidelines now recommend early escalation of treatment for PAH. We evaluated how well Finnish practice follows guidelines, and how treatment initiations and outcomes are related. The pulmonary arterial hypertension and chronic thromboembolic pulmonary hypertension patients in Finland cohort includes all PAH and CTEPH patients diagnosed between 2008 and 2020 in all Finnish university hospitals. Drug therapy was analysed in patients with medical/procedural history available, and changes in the 4‐tier comparative, prospective registry of newly initiated therapies for pulmonary hypertension (COMPERA) 2.0 risk score were evaluated. PAH patients (n = 268) were initially treated with monotherapy (52%) or double therapy (24%). After year 2015, double therapy use increased to 39%. PAH treatment at 1 year after diagnosis included phosphodiesterase 5 inhibitors (71%), endothelin‐receptor antagonist (48%), prostacyclin analogue (7%), calcium channel blocker (12%) and selexipag (1%). 35% achieved low risk at 1 year, increasing to 44% for patients diagnosed after 2015. Those remaining at intermediate‐high (IH) or high risk (H) (28%) were not treated less aggressively than others but were older, had more comorbidities, and often history of smoking. CTEPH patients (n = 189) were treated with pulmonary endarterectomy (PEA) (27%), balloon pulmonary angioplasty (BPA) (11%) and medical therapy only (41%) within 1 year from diagnosis. 45% achieved low risk at 1 year. We present additional results on treatment of IH and H patients, patient characteristics preceding death, and treatment persistence. We found less treatment of PAH patients with double or triple therapies and of CTEPH patients with PEA and BPA than expected but with good results. Patients not reaching low or intermediate COMPERA 2.0 were old and had comorbidities.
The synergy of assimilating visible and infrared radiances and radar observations
Authors: Kugler Lukas , Weissmann Martin 
Published: February 2025

AbstractCloud‐affected satellite observations in the visible and infrared spectrum contain vast and largely complementary information on clouds and atmospheric convection and thereby constitute a promising data source for convective‐scale data assimilation. Preceding studies have demonstrated that the assimilation of either one of these observation types can lead to improved convective‐scale weather forecasts, but research on the combined assimilation of cloud‐affected visible and infrared satellite data as well as radar observations is still very scarce. In this article, we investigate the combined assimilation of multiple infrared and visible satellite channels as well as radar observations, and evaluate their analysis and forecast impact with a primary focus on clouds and precipitation. We assimilate visible (0.6‐) and thermal infrared (6.2‐ and 7.3‐ ) satellite channels in observing‐system simulation experiments (OSSEs) with a perfect‐model forecast for an idealized weather scenario. Observations are simulated synthetically and assimilated by the ensemble adjustment Kalman filter (EAKF). The forecasts used the Weather Research and Forecasting (WRF) model at 2‐km grid resolution. Results show that assimilating satellite channels in addition to radar reflectivity can improve forecasts of cloudiness and precipitation, while improvements in temperature, humidity, and wind fields are about the same as in the radar experiment. The evaluation of the analysis error for different cloud conditions revealed that the combined assimilation can mitigate the ambiguity of individual visible and infrared channels. Assimilating visible reflectance before infrared brightness temperature can remove pre‐existing erroneous water clouds and avoid the introduction of erroneous clouds by the following assimilation of infrared channels. It follows that the combined assimilation of visible and infrared radiances could be crucial to avoid shortcomings of assimilating only visible or infrared radiances in convective‐scale numerical weather prediction.
Professor Jean‐Francois Muller (1940–2024) Mass Spectrometry and Laser Desorption/Ionisation
Authors: Vernex‐Loset Lionel , Krier Gabriel 
Published: February 2025

ABSTRACTBorn in 1940, Jean‐Francois Muller was one of the leading figures in mass spectrometry in France. In the 1980s, he understood the value of laser microprobes coupled to mass spectrometry for the study of organic and inorganic compounds. He became one of the pioneers of laser desorption/ionisation, highlighting the value of resonant ionisation coupled to mass spectrometry. Professor at the University of Metz, he created the Mass Spectrometry and Laser Chemistry Laboratory in 1983. Attentive to technological developments, he joined forces with Nicolet company in the mid‐1980s to develop the first multi‐wavelength Fourier transform ion cyclotron resonance MS laser microprobe in 1988. He had a pioneer contribution in the development of high magnetic field mass spectrometry, which led him to work with major industrial groups. As a keen teacher and researcher, he supervised around fifty doctoral theses and is the author and co‐author of almost two hundred publications. Professor emeritus in 2006, a man of great scientific culture and a member of the Lorraine Academy of Sciences, Jean‐François Muller gave his last lecture on elementary particles on 14 December 2023 at Metz city hall, his adopted city. This article is a tribute to his career and traces his significant contribution and his great impact on the scientific community at the local, national and international levels.
The Dark Sides of Artificial Intelligence Implementation: Examining How Corporate Social Responsibility Buffers the Impact of Artificial Intelligence‐Induced Job Insecurity on Pro‐Environmental Behavior Through Meaningfulness of Work
Authors: Kim Byung‐Jik , Lee Julak 
Published: February 2025

ABSTRACTThis study investigates the complex relationships between artificial intelligence (AI)‐induced job insecurity, meaningfulness of work (MOW), pro‐environmental behavior at work (PEBW), and corporate social responsibility (CSR) in South Korean organizations. As AI technologies increasingly permeate the workplace, understanding their impact on employee attitudes and behaviors becomes crucial for organizational sustainability efforts. Drawing on several theories, we propose and test a moderated mediation model using a three‐wave time‐lagged design with 392 employees from various South Korean corporations. Our findings reveal that AI‐induced job insecurity negatively influences PEBW through the mediating role of MOW. Contrary to initial expectations, no direct relationship was found between AI‐induced job insecurity and PEBW. Instead, AI‐induced job insecurity decreases employees' MOW, which in turn reduces their engagement in PEBW. Furthermore, we found that CSR moderates the AI‐induced job insecurity‐MOW link, such that strong CSR buffers the negative influence of AI‐induced job insecurity. These results may contribute to the literature on organizational behavior, environmental sustainability, and technological change by elucidating the psychological mechanisms linking AI‐induced job insecurity to PEBW. Our study emphasizes the crucial role of MOW in this relationship. Also, it demonstrates how CSR can function as a strategic tool to weaken the potential negative impacts of AI implementation on employee attitudes and behaviors. The findings offer meaningful implications for managers and policymakers navigating the challenges of AI integration while promoting environmental sustainability at work. By maintaining employee MOW and leveraging CSR initiatives, organizations may be better equipped to foster PEBW in the face of technological changes.
Maleic Anhydride‐Based Polymeric Pour Point Depressants for Crude Oils: Select the Right Additive to Save Energy
Authors: Wagh Shrish G. , Dahiya Kiranbala , Katariya Sudhirkumar S. , Soni Hemant P. 
Published: February 2025

AbstractModifying the wax crystal habit is useful for transporting and processing crude oil at low temperatures. Various polymeric pour point depressant (PPD) additives can aid in this maneuver differently. Various morphologies of polymeric additives (like comb, brush, centipede, etc.,) have been shown to lower the pour point of crude oil by providing several nucleation sites for wax precipitation. Out of the large array of materials available, it is challenging to forecast which one will act as a wax‐crystal modifier on the crude oil under consideration. We propose, in this study, a detailed classification of wax‐crystal modifier additives based on criteria such as linear or branched copolymers, the presence of crystalline or amorphous segments, aromatic units and their positions (such as in the backbone or branch), the ability to self‐assemble or aggregate, etc. Accordingly, we synthesized additives from the maleic anhydride class having three different morphologies namely brush, combs, and centipedes, through free radical polymerization (FRP). The detailed characterization of these additives was carried out using structure‐sensitive techniques, such as 1H nuclear magnetic resonance, Fourier transform infrared spectroscopy, thermogravimetric analysis, and gel permeation chromatography. To evaluate the real‐time performance of the as‐synthesized additives, we selected crude oils from the South Kadi (SK), Limbodara (LM), and Nada (ND) oil fields of the Cambay basin, Gujarat, India having different levels of wax and asphaltenes. The rheological parameters of crude (with and without additive) were investigated using an Advance Rheometer AR‐500. Depending on the additive capability to self‐aggregate and the composition of the crude oil, the additive AMI‐3 is the most effective for ND, EST‐2 for LM, and A‐18S for SK crude oils. Their 1000 ppm dose can reduce the pour point of these crudes up to 18 °C and improve their rheological parameters accordingly. Finally, we propose the mechanisms of pour point depression by these as‐synthesized additives and carry out the microscopic imaging of the precipitated wax crystals from the blank and additive‐treated crude oil.
I2‐Promoted Alkylsulfenylation/Cyclization of Enaminones with S‐Alkyl Bunte Salts: Synthesis of 3‐Alkylsulfenylated Chromones
Authors: Wang Ya‐Yu , Liao Ling‐Xia , Li Wen‐Tuan , Liu Feng‐Lin , Li Xia , Huang Guo‐Li 
Published: February 2025

AbstractA novel protocol for effective and efficient synthesis of 3‐alkylsulfenylated chromones in moderate to good yields via I2‐promoted alkylsulfenylation/cyclization of enaminones with S‐alkyl Bunte salts has been described. This reaction features a broad substrate scope, good functional group tolerance, and metal‐ and oxidant‐free conditions.
Alginate versus Chitosan for Templating Growth and Shaping HKUST‐1 as Porous CO2‐Adsorbent Beads
Authors: Khadiri Yassine , Anouar Aicha , Volkringer Christophe , Royer Sébastien , Dhainaut Jérémy , Loiseau Thierry , Kadib Abdelkrim El 
Published: February 2025

AbstractThis study aims at elucidating the role of the polysaccharide skeleton (alginate versus chitosan) during the growth and shaping of HKUST‐1 as porous beads. Although the two biopolymers afford an open porous hydrogel network, the freeze‐drying step was crucial with water medium being inappropriate to preserve the crystalline framework of HKUST‐1. Alternatively, drying in ethanol circumvented this drawback by keeping intact the structure of HKUST‐1. However, a contrasting behavior was observed in the resulting polysaccharide@HKUST‐1 beads, as HKUST‐1 grown in alginate underwent a dramatic collapse, whereas self‐standing, open porous microspheres could be obtained using the chitosan templating route. The resulting chitosan@HKUST‐1 cryogel displays an enhanced CO2 capture (2.67 mmol.g−1) compared to its analogs shaped by alginate, making consequently chitosan a better option for structuring MOF‐based adsorbents.
A database of chief financial officer turnover and dismissal in S&P 1500 firms, 2000–2022
Authors: Zhang Ziheng , Mount Matthew P. , Zhang Stephen X. 
Published: February 2025

AbstractResearch SummaryUnderstanding the antecedents and consequences of executive turnover is an important topic in strategy research. Yet, due to limitations in data availability, we know little about the turnover and dismissal of executives beyond the CEO. To address this, we develop an open access database on CFO turnover and dismissal—given the unique interface CFOs form with CEOs as strategic partners—in S&P 1500 firms between 2000 and 2022. We search for media documentation of CFO turnover events and code for various types of departure with supporting evidence. We compare our CFO database with an open access CEO database and show distinct patterns of exit and interdependence between CFO and CEO departure. The results reveal important directions for strategy scholarship. The database is available on the OSF platform (osf.io/fh248/?view_only=2c62d6eb59bd433496ce101689df3adc).Managerial SummaryCFOs are key executives who shape the firm's strategy with CEOs. Consequently, understanding why CFOs leave their jobs and how this impacts the firm is important. Yet, the reasons why CFOs leave their jobs are rarely captured in existing databases. To address this, we develop an open access database documenting various types of CFO turnover and dismissal in S&P 1500 firms from 2000 to 2022. We establish a robust coding protocol and describe how we develop our database. We further explore how our CFO database contributes to the literature by comparing it with an open access CEO database; highlighting new lines of research and questions that it can stimulate. The database is available on the OSF platform (osf.io/fh248/?view_only=2c62d6eb59bd433496ce101689df3adc).
Enhanced Polysulfide Conversion and Shuttle Suppression in Lithium‐Sulfur Batteries via Fe‐Phytate Modified Sulfur Cathode
Authors: Pang Yashuai , Wang Jiaqi , Muhammad Waqas , Huang Xiang‐Long , Zhang Zhe , tang Mengjun , Fang Xiaodong , Tian Zongqing , Nitou Modeste Venin Mendieev , Niu Yinghua , Zhang Zhen , Lv Weiqiang 
Published: February 2025

AbstractThe practical application of lithium‐sulfur (Li‐S) batteries is severely impeded by poor cycling performance arising from sluggish redox kinetics and the shuttle effect of polysulfides. In this work, novel transition metal phytates are pioneered to functionalize conductive carbon to address these key limitations. Among a series of phytates evaluated, the Fe‐Phytate‐modified carbon (Fe‐PA@CB) demonstrates superior specific capacity and rate performance. The unique molecular‐level Fe‐PA coating ensures uniform dispersion and increased active site, leveraging optimized adsorption and enhanced catalytic properties. Consequently, the activation energy for polysulfide conversion is significantly reduced, and polarization potential is minimized. The Fe‐PA@CB electrode demonstrates significantly improved cycling stability, retaining 61% of the initial capacity after 500 cycles, compared to 40% retention by a conventional carbon‐based cathode. This work not only provides a practical solution for enhancing the electrochemical performance of Li‐S batteries but also offers valuable insights into material design and mechanistic understanding, paving the way for the development of next‐generation energy storage systems.
Large‐Scalable CO‐Tolerant Ultrathin PtTe2 Nanosheets for Formic Acid Oxidation
Authors: Bao Jingliang , Sun Haoran , Yan Wei , Liu Siyu , Xu Wei , Fan Jiantao , Zhan Changhong , Liu Wei , Huang Xiaoqing , Chen Nanjun 
Published: February 2025

AbstractDeveloping large‐scale platinum (Pt) alloys that simultaneously exhibit high formic acid oxidation reaction (FAOR) activity and robust CO tolerance remains a significant challenge for practical fuel cell applications. Here, a facile and universal in situ synthesis approach is presented to create ultrathin platinum‐tellurium nanosheets on carbon support (PtTe2 NSs/C), which enables high CO tolerance and FAOR activity while achieving the massive production of PtTe2 NSs/C. Specifically, the 10‐gram‐scale PtTe2 NSs/C achieves exceptional specific activity and mass activity of 14.3 mA cm−2 and 3.6 A mgPt−1, respectively, which are 52.9 and 22.5 times greater than those of commercial Pt/C. Moreover, the 10‐gram‐scale PtTe2 NS/C exhibits significantly higher FAOR stability than pristine Pt NSs/C and commercial Pt/C. Detailed mechanism and computational investigations collectively reveal that the integration of Te into Pt lattices enhances the utilization of Pt while constructing high‐density unsaturated “Pt‐Te sites” on the surface of PtTe2 NSs/C, conferring high CO tolerance to PtTe2 NSs/C and thus substantially enhancing the FAOR activity. This work contributes to providing a universal method for scaling up next‐generation high‐performing FAOR catalysts.
ASRMG: Business Topic Clustering‐Based Architecture Smell Refactoring for Microservices Granularity
Authors: Wang Sixuan , Yu Dongjin , Jin Baoqing , Yan Wangliang , Han Qi 
Published: February 2025

ABSTRACTIntroductionMicroservices architecture is one of the most popular design approaches in software development. The granularity smell of microservices is a topic of great interest, which often leads to a degradation in the quality of the microservices architecture, so it needs to be eliminated through architecture refactoring. Existing research on architecture refactoring to address granularity smells in microservices is limited, with a lack of consideration for the semantic information of business logic, and suggestions for microservice refactoring rely too much on manual experience and lack standardized descriptions.ObjectivesThis paper aims to provide a novel approach for refactoring granularity smells in microservice architectures, addressing the existing shortcomings in considering semantic information of microservice business logic, the reliance on empirical experience for refactoring suggestions, and the lack of standardized suggestions for refactoring.MethodsThis paper introduces a novel method for refactoring granularity smells in microservices architecture based on business topic clusters, named ASRMG. This method extracts business topic clusters from the business logic code of interfaces, thereby defining the cohesion and coupling semantics of the system. It then employs an enhanced genetic algorithm for refactoring the microservices system, using a refactoring pattern database to automate the generation of fine‐grained refactoring suggestions.ResultsExperiments conducted on five open‐source microservices systems of varying scales and domains achieved a 99.24% elimination rate of granularity smells, with cohesion metrics improving by an average of 60.19% and coupling metrics reducing by an average of 15.32%, indicating a significant enhancement in the quality of microservice architecture.ConclusionThis paper introduces a novel method for refactoring and evaluating microservice systems, named ASRMG. ASRMG extracts business topic clusters from the code of microservice systems and refines the evaluation method for refactored microservice, and proposes an automated method for generating refactoring suggestions for granularity smells, enhancing the efficiency and quality of architecture smell refactoring.
Determining Spatial Correlation Structure Using a Flexible Method
Authors: Saber Mohammad Mehdi , Mahmoudi Mohammadreza 
Published: February 2025

ABSTRACTModelling spatial data using geostatistical methods relies on parametric variograms and covariances. Ordinary, weighted and generalized least square, maximum and restricted maximum likelihood are some methods to estimate spatial processes' variogram (covariogram) parameters. Nevertheless, these methods necessarily do not result in the best prediction values for each desired loss function. This paper introduced a new method to estimate and optimize parameters of the spatial variogram and covariance functions based on a desired loss function to achieve cross‐validated prediction results. The proposed method can be used for different kriging techniques to perform the best prediction values and some desired loss functions such as mean, mean square and mean absolute error and complicated loss function like Linex conveniently. The variogram parameters were estimated under optional desired criteria to control how much they overestimate or underestimate observations. This feature can apply a wide range of controlled conditions to the model. The results indicated the interesting advantages of the suggested workflow versus previous variogram estimation methods. This method provides the best directional variogram, which enhances cross‐validation results when used with generalized least squares as an optimal estimation method for statistical efficiency.