bluuebunny/crossref_metadata_2025_split huggingface dataset:
CO2 Reforming with Ethanol for Syngas Production over SiO2‐M@CeO2 Catalysts (M: Cu,Ni): Impact of Active Metal
Authors: Li Ting , Tian Yuhao , Yan Xiaoli , Cai Weijie 
Published: September 2023

AbstractIt is of great significance to design the high‐performance catalysts with good anti‐sintering and coke‐resistance properties which can efficiently convert undesirable greenhouse gas CO2 with bio‐ethanol into high value‐added syngas. To be addressed this issue, a series of SiO2‐M@CeO2 (M: Cu, Ni) catalysts with typical core@shell structure were prepared via a strong electrostatic adsorption technique. Interestingly, Ni‐based catalyst exhibited the higher activity towards ethanol dry reforming at the relatively low temperature. Meanwhile, SiO2‐Ni@CeO2 catalyst presented good stability after a 50 h tests while a serious deactivation occurred for SiO2‐Cu@CeO2 within 20 h reaction due to heavy carbon deposition and reactor blockage. Herein, the higher catalytic performance of SiO2‐Ni@CeO2 catalyst compared to SiO2‐Cu@CeO2 sample was attributed to the combination effect of its mesoporous structure, higher Ni dispersion as well as stronger Ni‐Ce interaction as depicted by BET, TEM, XPS, H2‐TPR and XRD findings. This work might provide meaningful information to other reforming processes involving coke formation and active metal sintering problems.
Alcohol‐Treated Nickel‐Aluminium Catalyst for One‐Step Highly‐Selective Butane‐1,4‐Diol Synthesis from 2‐Butyne‐1,4‐Diol
Authors: Zhu Caixia , He Yingluo , Kushita Ryotaro , Peng Xiaobo , Ma Qingxiang , Liu Guangbo , Wu Jinhu , Yang Guohui , Tsubaki Noritatsu 
Published: September 2023

AbstractThe development of low‐cost nickel‐based catalysts for direct and selective hydrogenation of 2‐butyne‐1,4‐diol (BYD) to butane‐1,4‐diol (BAD) under mild conditions is an important and attractive target both in fundamental research and industrialization but remains a formidable challenge. The primary industrial production method for BAD synthesis is a two‐step reaction route, which suffers from complicated catalysis conditions and high equipment costs. Herein, we develop a high‐performance catalyst via a facile alcohol‐treated strategy for highly selective BAD synthesis at moderate operation conditions. The as‐synthesized NA‐80E catalyst exhibits outstanding BAD selectivity of 98.82 % and BYD conversion of 100 % at 60 °C and 4 MPa, outperforming most reported results for BAD formation in a one‐step process and even being comparable to those obtained by the two‐step hydrogenation reaction route under much high temperatures and pressures. Crucially, we found that after facile alcohol (ethanol) treatment, an intriguing phenomenon of suppression of adjacent acid‐assisted hydrogenolysis via extra acidic Al species at the NiO‐Al2O3 interface is observed, contributing to the precise enhancement of BAD selectivity by inhibiting the production of butanol (BOL). This facile alcohol‐treated method along with the revealed mechanism of blocked hydrogenolysis opens vast possibilities for designing high‐performance and highly‐selective hydrogenation catalysts.
Elucidating the Electronic Nature of Rh‐based Paddlewheel Catalysts from 103Rh NMR Chemical Shifts: Insights from Quantum Mechanical Calculations
Authors: Gui Xin , Sorbelli Diego , Caló Fabio P. , Leutzsch Markus , Patzer Michael , Fürstner Alois , Bistoni Giovanni , Auer Alexander A. 
Published: September 2023

AbstractThe tremendous importance of dirhodium paddlewheel complexes for asymmetric catalysis is largely the result of an empirical optimization of the chiral ligand sphere about the bimetallic core. It was only recently that a H(C)Rh triple resonance 103Rh NMR experiment provided the long‐awaited opportunity to examine – with previously inconceivable accuracy – how variation of the ligands impacts on the electronic structure of such catalysts. The recorded effects are dramatic: formal replacement of only one out of eight O‐atoms surrounding the metal centers in a dirhodium tetracarboxylate by an N‐atom results in a shielding of the corresponding Rh‐site of no less than 1000 ppm. The current paper provides the theoretical framework that allows this and related experimental observations made with a set of 19 representative rhodium complexes to be interpreted. In line with symmetry considerations, it is shown that the shielding tensor responds only to the donor ability of the equatorial ligands along the perpendicular principal axis. Axial ligands, in contrast, have no direct effect on shielding but may come into play via the electronic
‐effect that they exert onto the neighboring equatorial sites. On top of these fundamental interactions, charge redistribution within the core as well as the electronic
‐effect of ligands of different donor strengths is reflected in the recorded 103Rh NMR shifts.
Facile Synthesis of Ru Nanoboxes with a Hexagonal Close‐Packed Structure by Templating with Ag Nanocubes and Their Catalytic Properties
Authors: Yu Hansong , Ding Yong , Wang Peng , Nguyen Quynh , Xia Younan , Qin Dong 
Published: September 2023

AbstractNoble‐metal nanoboxes offer an attractive form of nanomaterials for catalytic applications owing to their open structure and highly efficient use of atoms. Herein, we report the facile synthesis of Ag−Ru core−shell nanocubes and then Ru nanoboxes with a hexagonal close‐packed (hcp) structure, as well as evaluation of their catalytic activity toward a model hydrogenation reaction. By adding a solution of Ru(acac)3 in ethylene glycol (EG) dropwise to a suspension of silver nanocubes in EG at 170 °C, Ru atoms are generated and deposited onto the entire surface of a nanocube. As the volume of the RuIII precursor is increased, Ru atoms are also produced through a galvanic replacement reaction, generating Ag−Ru nanocubes with a hollow interior. The released Ag+ ions are then reduced by EG and deposited back onto the nanocubes. By selectively etching away the remaining Ag with aqueous HNO3, the as‐obtained Ag−Ru nanocubes are transformed into Ru nanoboxes, whose walls are characterized by an hcp structure and an ultrathin thickness of a few nanometers. Finally, we evaluated the catalytic properties of the Ru nanoboxes with two different wall thicknesses by using a model hydrogenation reaction; both samples showed excellent performance.
Modular Bicyclophane‐Based Molecular Platforms
Authors: Kalle Daniel , Bahr Joshua , Keller Tristan Johannes , Kleine Büning Julius B. , Grimme Stefan , Bursch Markus , Jester Stefan‐Sven , Höger Sigurd 
Published: September 2023

AbstractThe modular synthesis of a series of nanoscale phenylene bicyclophanes with an intraannular orthogonal pillar is described. The compounds are obtained by a Suzuki cross‐coupling condensation and are characterized by mass spectrometry and NMR spectroscopy as well as in situ scanning tunneling microscopy at the solid/liquid interface of highly ordered pyrolytic graphite. In addition, their structures and conformations are supported by quantum chemical calculations, also after adsorption to the substrate. A set of two alkyl chain substitution patterns as well as a combination of both were investigated with respect to their ability to form extended 2D‐crystalline superstructures on graphite. It shows that not the most densely packed surface coverage gives the most stable structure, but the largest number of alkyl chains per molecule determines the structural robustness to alterations at the pillar functionality.
Principles of artificial intelligence and its application in cardiovascular medicine
Authors: Wieneke Heinrich , Voigt Ingo 
Published: September 2023

AbstractArtificial intelligence (AI) represents a rapidly developing field. Its use can improve diagnosis and therapy in many areas of medicine. Despite this enormous progress, many physicians perceive it as a black box and are skeptical about it. This review will present the basics of machine learning. Different classifications of artificial intelligence, such as supervised versus unsupervised and discriminative versus generative AI, are given. Analogies to human intelligence are discussed as far as algorithms are oriented toward it. In the second step, the most common models like random forest, k‐means clustering, convolutional neural network, and transformers will be presented in a way that the underlying idea can be understood. Corresponding medical applications in cardiovascular medicine will be named for all models, respectively. The overview is intended to show that the term artificial intelligence covers a wide range of different concepts. It should help physicians understand the principles of AI to make up one's minds about its application in cardiology. It should also enable them to evaluate results obtained with AI's help critically.
Comparison of machine‐learning models for the prediction of 1‐year adverse outcomes of patients undergoing primary percutaneous coronary intervention for acute ST‐elevation myocardial infarction
Authors: Tofighi Saeed , Poorhosseini Hamidreza , Jenab Yaser , Alidoosti Mohammad , Sadeghian Mohammad , Mehrani Mehdi , Tabrizi Zhale , Hashemi Parisa 
Published: September 2023

AbstractBackgroundAcute ST‐elevation myocardial infarction (STEMI) is a leading cause of mortality and morbidity worldwide, and primary percutaneous coronary intervention (PCI) is the preferred treatment option.HypothesisMachine learning (ML) models have the potential to predict adverse clinical outcomes in STEMI patients treated with primary PCI. However, the comparative performance of different ML models for this purpose is unclear.MethodsThis study used a retrospective registry‐based design to recruit consecutive hospitalized patients diagnosed with acute STEMI and treated with primary PCI from 2011 to 2019, at Tehran Heart Center, Tehran, Iran. Four ML models, namely Gradient Boosting Machine (GBM), Distributed Random Forest (DRF), Logistic Regression (LR), and Deep Learning (DL), were used to predict major adverse cardiovascular events (MACE) during 1‐year follow‐up.ResultsA total of 4514 patients (3498 men and 1016 women) were enrolled, with MACE occurring in 610 (13.5%) subjects during follow‐up. The mean age of the population was 62.1 years, and the MACE group was significantly older than the non‐MACE group (66.2 vs. 61.5 years, p < .001). The learning process utilized 70% (n = 3160) of the total population, and the remaining 30% (n = 1354) served as the testing data set. DRF and GBM models demonstrated the best performance in predicting MACE, with an area under the curve of 0.92 and 0.91, respectively.ConclusionML‐based models, such as DRF and GBM, can effectively identify high‐risk STEMI patients for adverse events during follow‐up. These models can be useful for personalized treatment strategies, ultimately improving clinical outcomes and reducing the burden of disease.
Antianginal effects of empagliflozin in patients with type 2 diabetes and refractory angina; a randomized, double‐blind placebo‐controlled trial (EMPT‐ANGINA Trial)
Authors: Mansouri Mohammad Hadi , Mansouri Pejman , Sadeghi Masoumeh , Hashemi Seyedeh Melika , Khosravi Alireza , Behjati Mohaddeseh , Shahabi Javad , Mansouri Asieh , Zavar Reihaneh , Amirpour Afshin , Sanei Hamid , Sarrafzadegan Nizal 
Published: September 2023

AbstractIntroductionSodium–glucose cotransporter 2 (SGLT2) inhibitors are emerging antidiabetic agents with various potential cardiovascular benefits. The EMPT‐ANGINA trial examined the effect of empagliflozin on the angina burden in those with concurrent type 2 diabetes mellitus (T2DM) and refractory angina (RA).MethodIn this 8‐week, double‐blind, randomized, placebo‐controlled trial, 75 patients with T2DM and RA were randomly assigned to one of two groups: empagliflozin (n = 37) and placebo (n = 38). The primary outcome was an improvement in angina, which was assessed by the Seattle Angina Questionnaire (SAQ). The secondary outcomes of this study included alterations in the SAQ domains and exercise test components.ResultsThe mean age of individuals in the empagliflozin and placebo groups was 67.46 ± 9.4 and 65.47 ± 7.0 years, respectively (p = .304). Patients who received empagliflozin showed a significant improvement in both the primary endpoint, which was the SAQ Summary Score (192.73 ± 20.70 vs. 224 ± 25.36, p < .001) and the secondary endpoints. Exercise test components, including treadmill exercise duration, time till angina, 1 mm ST‐segment depression onset, and heart rate (HR) recovery, were all significantly improved in the empagliflozin group. This positive impact was reached with no clinically significant changes in resting and exertion HR or blood pressure. There were no significant side effects in the empagliflozin group (p = .125).ConclusionEmpagliflozin can be safely added as a metabolic modulator agent to existing antianginal medications in individuals with concurrent T2DM and RA to reduce angina symptoms and enhance exercise capacity with minimal side effects.
Triple kill: Fabrication of composites coming from waste face masks, polystyrene microplastics, graphene, and their electromagnetic interference shielding behaviors
Authors: Xiang Meng , Fan Wangxi , Lin Wei , Zhou Shilong , Li Fengman , Yang Zhou , Dong Shuang 
Published: September 2023

AbstractConducting polymer composites possessing excellent electromagnetic interference shielding effectiveness (EMI SE) are effective methods to prevent the harm caused by electromagnetic pollution. Since COVID‐19 in 2019, people have made a lot of progress in the recycling of waste face masks (FMs). Besides, effective measures are needed to reduce the harm of microplastics (MPs) pollution in the water environment. However, so far, no publications are available in the literature that simultaneously solve the problem of electromagnetic pollution, FM pollution, and MP pollution. Herein, FMs, polystyrene MPs (PS MPs), and graphene (Gr) were used to fabricate EMI shielding composites with isolated conductive network structures via the adhesion of polydopamine (PDA). The effects of isolated conductive networks, different sizes of PS MPs, and different layers of FMs on the adsorption properties of FMs‐PDA‐Gr, as well as electrical performance for the obtained polypropylene‐PDA‐Gr composites, were studied. The composites displayed EMI SE for 29.3 dB in X‐band with 2 vol.% Gr content due to the isolated conductive network structure, which may be useful to the simultaneous elimination of garbage from electromagnetic pollution, FMs pollution, and MPs pollution to a certain degree.
Hydrothermal Synthesis of MA3Sb2I9 for Hydrogen Production Applications
Authors: Ahmad Khursheed , Niyitanga Theophile , Chaudhary Archana , Raza Waseem , Khan Rais Ahmad , Kim Haekyoung 
Published: September 2023

AbstractWith increasing energy demands and environment concerns, the substitution of lead hybrid perovskites with antimony‐based perovskite structures is an important research topic. Herein we report the synthesis of a lead‐free perovskite‐like material MA3Sb2I9 by a hydrothermal method and the photocatalytic performance of the material in the hydrogen evolution reaction (HER). The synthesized material MA3Sb2I9 has been characterized by PXRD, SEM, EDX and UV‐Vis absorption spectroscopy. The band gap of the synthesized material was observed to be 2.28 eV. MA3Sb2I9 demonstrated good catalytic performance for the splitting of HI using hypophosphorous acid (H3PO2) as scavenger. For enhancing the rate of hydrogen evolution, platinum nanoparticles have been used as a co‐catalyst in different ratios. The hydrogen evolution performance of MA3Sb2I9 enhanced up to 883 μmol g−1 upon addition of 3 mg of Pt nanoparticles due to generation of additional Fermi levels in the catalytic system. The MA3Sb2I9 material demonstrated good stability showing no evident reduction in catalytic activity after four consecutive cycles.
Progress in Organic Triboluminescent EuD4TEA Crystal
Authors: Shohag Md Abu 
Published: September 2023

AbstractOrganic triboluminescent (TL) crystals have attracted significant attention in recent years for their potential applications in various fields such as damage sensing in aerospace structures, cyanide detection in water, and radiation sensing. Europium tetrakis dibenzoylmethide triethylammonium (EuD4TEA) is a class of organic TL crystals that have shown promising results in terms of sensitivity due to their high TL intensity, however, they exhibit thermal instability and fragility concerns. In this review, recent research progress on the development, characterizations, TL properties, and potential applications of EuD4TEA crystals in various fields, are summarized. The review will conclude with the current challenges of EuD4TEA crystals, such as fragility nature, thermal instability, and increasing cost of europium. Despite having challenges, EuD4TEA crystals have the potential for damage sensing in the structural composite.
Straw mulching combined with phosphorus fertilization increased photosynthesis rate and grain yield of wheat due to reduced stomatal and mesophyll limitations
Authors: He Peng , Xie Wei , Ma Hongliang , Huang Xiulan , Zou Qiaosheng , Ai Dailong , Haolan Chen , Fan Gaoqiong , Yang Hongkun 
Published: September 2023

AbstractPhosphorus (P) has been proposed as an important factor determining photosynthesis through improvements in leaf anatomical traits and carboxylation efficiency. However, little is known about the combined effects of straw mulch and P fertilizer on the relationship between flag leaf P content and photosynthesis. This study was conducted to determine the combined effects of straw mulch combined with P fertilizer on wheat flag leaf photosynthetic capacity and grain yield. We performed field experiments during 2020–2022 to investigate the combined effects of straw mulch (0 and 8000 kg ha−1) with P fertilizer (0, 75, and 120 kg P2O5ha−1) in Southwest China. Straw mulch with 75 kg P2O5ha−1gave an 18.3% yield advantage over no mulch with 120 kg P2O5ha−1. Straw mulching with P fertilizer increased flag leaf P content and increased stomatal density. These changes increased stomatal conductance, mesophyll conductance, and net photosynthetic rate (Pn) by 17.4%, 16.3%, and 20.8%, respectively, compared with no‐mulch plots. The increasedPnwas found associated with decreased stomatal and mesophyll limitation. Straw mulching with P fertilizer increased the activities of ribulose‐1,5‐bisphosphate carboxylase‐oxygenase and sucrose synthesis enzymes, thus promoting sucrose synthesis in flag leaves, which is beneficial for increasing grain number per meter square and grain yield. Straw mulching combined with 75 kg P2O5ha−1increased flag leaves P content and stomatal density, and increased stomatal and mesophyll conductance, resulting in improved leaf photosynthesis and grain yield.
Facilitation of animals is stronger during summer marine heatwaves and around morphologically complex foundation species
Authors: Montie Shinae , Thomsen Mads S. 
Published: September 2023

AbstractFoundation species create biogenic habitats, modify environmental conditions, augment biodiversity, and control animal community structures. In recent decades, marine heatwaves (MHWs) have affected the ecology of foundation species worldwide, and perhaps also their associated animal communities. However, no realistic field experiment has tested how MHWs affect animals that live in and around these foundation species. We therefore tested, in a four‐factorial field experiment, if colonisation by small mobile marine animals (epifauna) onto plates with attached single versus co‐occurring foundation species of different morphological complexities, were affected by 3–5°C heating (that mirrored a recent extreme MHW in the study area) and if the heating effect on the epifauna varied within and between seasons. For this experiment mimics of turf seaweed represented the single foundation species and holdfasts of seven common canopy‐forming seaweed represented the co‐occurring foundation species with different morphological complexities. We found that the taxonomic richness and total abundance of epifauna, dominated by copepods, generally were higher on heated plates with complex seaweed holdfasts in warmer summer trials. Furthermore, several interactions between test‐factors were significant, e.g., epifaunal abundances, were, across taxonomic groups, generally higher in warmer than colder summer trials. These results suggest that, in temperate ecosystems, small, mobile, short‐lived, and fast‐growing marine epifauna can be facilitated by warmer oceans and morphologically complex foundation species, implying that future MHWs may increase secondary production and trophic transfers between primary producers and fish. Future studies should test whether these results can be scaled to other ecological species‐interactions, across latitudes and biogeographical regions, and if similar results are found after longer MHWs or within live foundation species under real MHW conditions.
Tunable Fungal Monofilaments from Food Waste for Textile Applications
Authors: Kanishka B Wijayarathna E. R. , Mohammadkhani Ghasem , Moghadam Farshad Homayouni , Berglund Linn , Ferreira Jorge A. , Adolfsson Karin H. , Hakkarainen Minna , Zamani Akram 
Published: September 2023

AbstractA fungal biorefinery is presented to valorize food waste to fungal monofilaments with tunable properties for different textile applications. Rhizopus delemar is successfully grown on bread waste and the fibrous cell wall is isolated. A spinnable hydrogel is produced from cell wall by protonation of amino groups of chitosan followed by homogenization and concentration. Fungal hydrogel is wet spun to form fungal monofilaments which underwent post‐treatments to tune the properties. The highest tensile strength of untreated monofilaments is 65 MPa (and 4% elongation at break). The overall highest tensile strength of 140.9 MPa, is achieved by water post‐treatment. Moreover, post‐treatment with 3% glycerol resulted in the highest elongation % at break, i.e., 14%. The uniformity of the monofilaments also increased after the post‐treatments. The obtained monofilaments are compared with commercial fibers using Ashby's plots and potential applications are discussed. The wet spun monofilaments are located in the category of natural fibers in Ashby's plots. After water and glycerol treatments, the properties shifted toward metals and elastomers, respectively. The compatibility of the monofilaments with human skin cells is supported by a biocompatibility assay. These findings demonstrate fungal monofilaments with tunable properties fitting a wide range of sustainable textiles applications.