bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ga‐Catalyzed Temperature‐Dependent Oxazolidinone/Piperazine Synthesis from Phenyl Aziridines Involving a Divergent Ligand‐Assisted Mechanism
Authors: Billacura Maria Distressa G. , Lewis Ryan D. , Bricklebank Neil , Hamilton Alex , Whiteoak Christopher J. 
Published: July 2023

AbstractApplication of a binary Ga‐based catalyst system for the coupling of CO2 and aziridines to form oxazolidinones is presented. It has been possible to optimize the catalyst system for the selective formation of a single regioisomer, in excellent yield, under relatively mild reaction conditions. The optimized catalyst system has been successfully applied to a range of substituted aziridines derived from styrene oxide. It has been observed that aziridines bearing two aromatic substituents result in piperazine formation through an unexpected dimerization reaction. These piperazine products can be selectively formed in the absence of CO2 or are favored at lower reaction temperatures. A detailed DFT study into the reaction mechanism for the formation of both products has been carried out and an unusual ligand assistance in the case of oxazolidinone synthesis has been identified. More specifically, this ligand interaction promotes the initial ring‐opening of the aziridine and this work presents the first fully elucidated mechanism involving this intermediate.
Michael Addition and Oxidative Cross‐Coupling Reaction of α‐Oxo Ketene Dithioacetals and Maleimides: Switchable Synthesis of 3‐Alkenyl Succinimides and Maleimides
Authors: Yu Haifeng , Mo Jian , Niu Xuemin , Luo Dashuang , Che Guangbo 
Published: July 2023

AbstractSwitchable synthesis of 3‐alkenyl succinimides and maleimides has been achieved via Michael addition and oxidative cross‐coupling reaction of α‐oxo ketene dithioacetals and maleimides by switching different reaction conditions. In the presence of 30 mol% of CH3SO3H in DCE at 120 °C, Michael addition reaction of α‐oxo ketene dithioacetals and maleimides occurred to afford 3‐alkenyl succinimides in 40–90% yields, whereas in the presence of 30 mol% of Pd(OAc)2 in DMF at 20 °C, 3‐alkenyl maleimides were obtained in 40–80% yields from the oxidative cross‐coupling reaction of α‐oxo ketene dithioacetals with maleimides. The presupposition of directing groups onto the substrates is not required in the Michael addition reaction. The method can be extended to gram scale.
The MAGIC algorithm probability (MAP)‐guided preemptive therapy of acute graft versus host disease with methylprednisolone: A randomized controlled trial
Authors: Zeng Qiang , Zhang Hang , Kuang Pu , Li Jian , Chen Xinchuan , Dong Tian , Wu Qiuhui , Zhang Chuanli , Chen Chunping , Niu Ting , Liu Ting , Liu Zhigang , Ji Jie 
Published: July 2023

AbstractAcute graft versus host disease (aGvHD) is a severe complication that arises in patients undergoing allogeneic hematopoietic stem cell transplantation (allo‐HSCT) and remains the primary cause of nonrelapse mortality (NRM). The MAGIC algorithm probability (MAP) has been proposed to identify patients at intermediate and high risk of developing aGvHD. The levels of suppression of tumorigenicity 2 (ST2) and regenerating islet‐derived 3α (Reg3α) were assessed, and MAP was calculated on days 7, 14, 21, and 28 after allo‐HSCT. Based on the MAP results, patients were classified into low‐, intermediate‐, or high‐risk groups for the development of aGvHD. Random assignment was performed to allocate intermediate‐ or high‐risk patients to receive preemptive therapy with methylprednisolone or not. The 100‐day cumulative incidences of grade 2 or higher (35.5% ± 8.6%) and grade 3 or higher (12.9% ± 6.0%) aGvHD in the methylprednisolone group were significantly lower than those in the control group (66.7% ± 7.9%, p = .01; 42.9% ± 8.4%, p = .01), and similar to those observed in the low‐risk group (31.7% ± 7.3%, p = .75; 2.4% ± 2.4%, p = .08). The 6‐month cumulative incidences of NRM were 14.1% ± 6.6%, 22.7% ± 7.1%, and 2.4% ± 2.4% in the methylprednisolone, control, and low‐risk groups, respectively, with no significant difference between the methylprednisolone and control groups (p = .29). Methylprednisolone did not increase infections (p = .34). The 100‐day cumulative incidences of cytomegalovirus (CMV) reactivation were 67.7% ± 8.4%, 65.6% ± 8.4%, and 46.3% ± 7.8% (p = .08), and those of grade 2 or higher hemorrhagic cystitis were 29.0% ± 8.2%, 45.2% ± 8.9% and 22.0% ± 6.5% (p = .11) in the methylprednisolone, control, and low‐risk groups, respectively. MAP‐guided preemptive therapy for aGvHD is promising. The long‐term efficacy and safety remain to be investigated.
Solvent‐free synthesized zeolites as compatibility agents in FKM rubber
Authors: Petkowicz Diego Ivan , dos Santos da Silva Alan , Mignoni Marcelo Luis , dos Santos João Henrique Zimnoch 
Published: July 2023

AbstractDry hybrid synthesized zeolite was added to a fluoroelastomer (FKM). Carbon black filler was also evaluated. The resulting systems were evaluated in terms of rheological, physicochemical and morphological characteristics. Replacing carbon black with zeolites decreased the torque maximum (125–144 nM) for all samples. The type of filler has a significant influence on the thermal stability of FKM compounds. The use of x‐ray microtomography (IMX for) on the investigated samples (fluorinated polymers) was shown to be a potential and powerful tool for fractioning the components of the resulting composite material. According to microtomography images, increasing the filler content increases the number of pores, probably due to the greater difficulty in dispersing larger volumes of fillers, which are shown as interconnected conglomerates. The SodC8.5 filler showed a considerable increase in stress at rupture (11 MPa) with only 1 phr, maintaining stability up to 10 phr, while elongation at break increased. The use of Sod and SodC8.5 loads showed an improvement of 15% and 30% in relation to the base compound. Finally, in a thermal stability test at the temperature of liquid N2, the SodC8.5 sample showed the best dimensional stability (approx. 7%), verifying the good compatibility between the filler and the fluorinated polymeric matrix.
Laser processing of carbon black reinforced ethylene‐butyl acrylate copolymer
Authors: El Aboudi I. , Bouyahia Z. , He D. , Bai J. , Mdarhri A. , Brosseau C. , Benayad A. , Charlot F. , Elazhari M. , Pecastaings G. 
Published: July 2023

AbstractInterest in the phenomenon of laser ablation (LA) has gained significant attention in recent years due to its potential for machining, high‐precision drilling, and cutting materials, such as metals, semiconductors, and dielectrics. Here, LA of ethylene‐butyl acrylate (EBA) filled with different volume fractions (4%, 8%, and 20%) of CB particles is studied. Upon irradiation with the second harmonics (532 nm) of the nanosecond pulsed Nd:YAG laser, a structuration is evidenced at the sample surface in a restricted range of fluence and at high pulse number (PN) (500 pulses, 1 Hz). The laser‐ablated surface is analyzed by microtopography, scanning electron microscopy (SEM), and x‐ray photoelectron spectroscopy (XPS). Collectively, our data show a lowering in ablation threshold and depth for CB volume fractions larger than the conduction threshold (8%), indicating that visible radiation primarily induces photothermal effects. After redeposition of the ablation products at the surface, XPS indicates that high CB content in the EBA matrix induces high oxidation level of the composite surface. Furthermore, our results reveal that LA produces a significant proportion of amorphous carbon. Several parameters which affect heat accumulation and CB particle shielding are discussed. Such parameters include laser fluence and repetition rate, and CB content.
Effects of nucleating agent content on the microstructure and macroscopic performances of polypropylene analyzed by non‐isothermal crystallization behaviors and isothermal crystallization morphologies
Authors: Yang Beixue , Jia Yu , Du Jiaye , Zhang Jun 
Published: July 2023

AbstractDirect attainment of the crystal state corresponding to desired performances in processing can improve the productivity of semi‐crystalline polymer products. This work tried to propose the idea to approach the target by exploring the effects of nucleating agent content on non‐isothermal crystallization kinetics, isothermally crystallization morphologies and macroscopic properties of polypropylene (PP). The nucleating agent content varied from 0 to 0.5 phr, and all samples were prepared by melting blending at 180°C as the antioxidant and lubricant ensured fine stability and processing. The differential scanning calorimetry results and non‐isothermal crystallization kinetics indicated that introducing 0.3 phr nucleating agent advanced both initial crystallization and melting about 10°C and improved crystallization rate and crystallinity. Besides, 145°C was determined as an isothermal crystallization condition by setting temperature gradient, and the crystallization kinetics were described by a power‐law equation well. The average crystal size was refined to 40 μm uniformly and crystallization time was reduced to 1.5 min as loading 0.5 phr nucleating agent, contributing to the significant improvements in tensile and physical properties. Thus, adding such a short‐time heat insulation procedure into the non‐isothermal cooling stage during processing can obtain desired crystal state directly with loading adequate nucleating agent.
Continuous polyhydroxybutyrate production from biogas in an innovative two‐stage bioreactor configuration
Authors: Rodríguez Yadira , García Silvia , Lebrero Raquel , Muñoz Raúl 
Published: July 2023

AbstractBiogas biorefineries have opened up new horizons beyond heat and electricity production in the anaerobic digestion sector. Added‐value products such as polyhydroxyalkanoates (PHAs), which are environmentally benign and potential candidates to replace conventional plastics, can be generated from biogas. This work investigated the potential of an innovative two‐stage growth‐accumulation system for the continuous production of biogas‐based polyhydroxybutyrate (PHB) using Methylocystis hirsuta CSC1 as cell factory. The system comprised two turbulent bioreactors in series to enhance methane and oxygen mass transfer: a continuous stirred tank reactor (CSTR) and a bubble column bioreactor (BCB) with internal gas recirculation. The CSTR was devoted to methanotrophic growth under nitrogen balanced growth conditions and the BCB targeted PHB production under nitrogen limiting conditions. Two different operational approaches under different nitrogen loading rates and dilution rates were investigated. A balanced nitrogen loading rate along with a dilution rate (D) of 0.3 day−1 resulted in the most stable operating conditions and a PHB productivity of ~53 g PHB m−3 day−1. However, higher PHB productivities (~127 g PHB m−3 day−1) were achieved using nitrogen excess at a D = 0.2 day−1. Overall, the high PHB contents (up to 48% w/w) obtained in the CSTR under theoretically nutrient balanced conditions and the poor process stability challenged the hypothetical advantages conferred by multistage vs single‐stage process configurations for long‐term PHB production.
Using PharmaPy with Jupyter Notebook to teach digital design in pharmaceutical manufacturing
Authors: Laky Daniel J. , Casas‐Orozco Daniel , Abdi Mesfin , Feng Xin , Wood Erin , Reklaitis Gintaras V. , Nagy Zoltan K. 
Published: July 2023

AbstractThe use of digital tools in pharmaceutical manufacturing has gained traction over the past two decades. Whether supporting regulatory filings or attempting to modernize manufacturing processes to adopt new and quickly evolving Industry 4.0 standards, engineers entering the workforce must exhibit proficiency in modeling, simulation, optimization, data processing, and other digital analysis techniques. In this work, a course that addresses digital tools in pharmaceutical manufacturing for chemical engineers was adjusted to utilize a new tool, PharmaPy, instead of traditional chemical engineering simulation tools. Jupyter Notebook was utilized as an instructional and interactive environment to teach students to use PharmaPy, a new, open‐source pharmaceutical manufacturing process simulator. Students were then surveyed to see if PharmaPy was able to meet the learning objectives of the course. During the semester, PharmaPy's model library was used to simulate both individual unit operations as well as multiunit pharmaceutical processes. Through the initial survey results, students indicated that: (i) through Jupyter Notebook, learning Python and PharmaPy was approachable from varied coding experience backgrounds and (ii) PharmaPy strengthened their understanding of pharmaceutical manufacturing through active pharmaceutical ingredient process design and development.
Learning counterfactual outcomes of MOOC multiple learning behaviors
Authors: Zhang Mengjie , Li Jingtao , Huang Qixuan , Kan Haibin 
Published: July 2023

AbstractThe absence of counterfactual outcomes presents a fundamental challenge in causal inference. However, existing work typically does not apply to multiple learning behaviors of Massive Open Online Courses. This paper proposes a counterfactual representation learning model based on multitask learning, applicable to any dimension, and any type of treatment. The model consists of a potential outcome network and a propensity score encoder, which shares feature information from the base layer. The propensity scores calculated by the encoder are then utilized in the potential outcome network to mitigate selection bias. Experiments based on real‐world data sets demonstrate the superior performance of our model compared with baselines.
What influences computational thinking? A theoretical and empirical study based on the influence of learning engagement on computational thinking in higher education
Authors: Liu Shuai , Peng Changling , Srivastava Gautam 
Published: July 2023

AbstractAs an important part of core competencies in the 21st century, computational thinking has received a lot of attention from all over the world. In the field of higher education, cultivating the ability of computational thinking has become an important goal of teaching. Previous research has shown that students' learning engagement is related to partial dimensions within computational thinking. However, there was a lack of research on the overall relationship between learning engagement and computational thinking. Therefore, this study aims at constructing an overall relationship model between learning engagement and computational thinking to examine the influence of three dimensions of learning engagement on the five dimensions of computational thinking. The participants were 341 freshmen from central China. The results show that compared with behavioral engagement, both emotional engagement and cognitive engagement had a stronger predictive power for computational thinking. In addition, the learning environment played a significant role in the relationship between learning engagement and computational thinking. On the whole, when compared with traditional multimedia classrooms, the relationship between learning engagement and computational thinking in smart classrooms was closer. A theoretical and empirical study of the relationship between learning engagement and computational thinking presents researchers and education practitioners with a method to improve students' computational thinking by building a learning environment and designing pedagogy.
Effect of biological variation in HbA1c and blood glucose on the diagnosis of prediabetes
Authors: Hempe James M. , Yang Shengping , Hsia Daniel S. 
Published: July 2023

AbstractIntroductionPeople with a low or high haemoglobin glycation index (HGI) have lower or higher HbA1c than other people with the same FPG. This study compared the prevalence of prediabetes based on FPG, 2hOGTT and HbA1c in people with low, moderate or high HGI.MethodsPrediabetes was diagnosed based on ADA cutpoints in 10,488 NHANES participants without self‐reported diabetes. HGI was calculated as the difference between a participant's observed HbA1c and a predicted HbA1c where predicted HbA1c = 0.024 FPG + 3.1. Participants were divided into low (HGI < −0.15%), moderate (HGI −0.15% to +0.15%) and high (HGI > +0.15%) HGI subgroups.ResultsThe prevalence of prediabetes was 42.4% based on FPG, 27.2% based on HbA1c and 17.2% based on 2hOGTT. FPG and HbA1c thus overdiagnosed prediabetes by 25.2% and 10.0%, respectively, compared to the OGTT gold standard. Prevalence was (1) similar in low, moderate and high HGI participants based on 2hOGTT, (2) highest in low HGI participants based on FPG, and (3) highest in high HGI participants based on HbA1c. Among participants with mismatched FPG and HbA1c, OGTT was normal in (1) 79.5% of participants with normal FPG but prediabetic HbA1c (mean HGI = +0.53%), and (2) 75.2% of participants with normal HbA1c but prediabetic FPG (mean HGI = −0.30%).ConclusionsFPG overdiagnosed prediabetes in people with low HGI. HbA1c overdiagnosed prediabetes in people with high HGI. Clinical use of HGI could improve prediabetes diagnosis and help health care providers avoid inappropriate or delayed treatment of people with extremes of HGI.
Policy as a strategy to innovate in health care? A content analysis of innovation policies in Germany, 1994–2017
Authors: Kurte Melina Sophie , Blankart Katharina Elisabeth 
Published: July 2023

AbstractDetermining what innovation means for healthcare is becoming increasingly complex. Health policy addresses this challenge by designing initiatives to improve healthcare quality and efficiency, one example being the German Innovation Fund of 2015. We investigate the innovation concept underlying 25 years of German health policy to analyse which and why some innovations are sustainable in a healthcare system. Expanding a previous approach to identify changes in the semantic understanding of ‘innovation’, we identify the semantic understandings of innovation, variation in health innovation policy contingencies. We use Henry Mintzberg's approach to classify patterns in health innovation policy to uncover predominant planning, adaptive, and entrepreneurial strategy modes. Systematic analysis resulted in 44 decision‐relevant policy documents. Content was classified based on a qualitative content structuring method according to seven main categories and 57 subcategories. Results reveal that the innovation concept is undergoing a transformation from a science‐based concept, dominated by planning and adaptive modes, towards an exploration of process innovations, dominated by adaptive and entrepreneurial strategy modes. This change in strategy is an essential contingency of high‐volume instruments, such as the Innovation Fund, and their capability to support the emergence of process innovations that lead to structural changes in the healthcare system.
What is in the news today? How media‐related affect shapes adolescents' stance towards the EU
Authors: Mayer Anna‐Maria , Neubauer Andreas B. , Jugert Philipp 
Published: July 2023

AbstractIntroductionAdolescence is regarded as a formative period for political development. One important developmental context is media. Negatively perceived political media content can foster populistic attitudes, which in turn decreases support of political institutions, such as the European Union (EU). As media valence effects are short‐lived, this study examined intra‐individual associations of media valence with European identity commitment and affect towards the EU, as well as indirect effects via populistic attitudes across 10 days.MethodsWe implemented a 10‐day daily diary study with 371 adolescents from Germany (January to February 2022). Adolescents were on average 14.24 years old (SD = 0.55) and 60.4% were female. We estimated the hypothesized associations using multilevel structural equation models and dynamic structural equation models.ResultsWe found significant associations between populistic attitudes and negative affect towards the EU on the same day and the next day. The lagged effect became nonsignificant, when including both same day and lagged effects into one model. Populistic attitudes were not significantly associated with European identity commitment within days or across days. Negative media content was associated with higher populistic attitudes on the same day and indirectly associated with negative affect towards the EU (b = −.01, 95% credible interval [−0.010, −0.004]).ConclusionNegatively perceived political media content was associated with higher populistic attitudes and more negative affect towards the EU concurrently. Our results imply that media plays an important role for adolescents' development.
Rapid extraction of bioactive compounds from gardenia fruit using new and recyclable deep eutectic solvents
Authors: Wen Lijiao , Fan Chen , Zhao Xi , Cao Xueli 
Published: July 2023

The utilization of deep eutectic solvent as an alternative and environmentally friendly option has gained significant attention. This study first proposed a series of benzylammonium chloride based‐deep eutectic systems for the extraction of bioactive compounds from Gardenia jasminoides Ellis. Through the implementation of response surface methodology, the optimal solvent was determined to be dodecyldimethylbenzylammonium chloride–levulinic acid (1:3, mol/mol) with 35% (v/v) water, specifically tailored to extract geniposide, genipin‐1‐β‐d‐gentiobioside, crocin‐1, and crocin‐2 from gardenia fruits with the ratio of solid to liquid of 1:20 at 86°C for 16 min. Their total extraction yields could reach 70.6 mg/g, outperforming those obtained by other solvents and corresponding techniques. Furthermore, the eutectic system was retrieved after first‐cycle extraction, and then applied in the subsequent extraction progress, yielding a consistent extraction efficiency of 97.1%. As compared to previous traditional methods, a quick, high‐yielding, and green extraction procedure was achieved through simple heating settings that did not constrain the instrument. Therefore, dodecyldimethylbenzylammonium chloride–levulinic acid could serve as a sustainable and reusable solvent for efficient extraction of natural bioactive compounds from plant‐based raw materials. The application of deep eutectic solvents has demonstrated their potential as designable solvents with stronger extraction capabilities than traditional organic solvents.