bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring the public's beliefs, emotions and sentiments towards the adoption of the metaverse in education: A qualitative inquiry using big data
Authors: Mahmoud Ali B. 
Published: May 2024

AbstractThe metaverse is rapidly reshaping our understanding of education, yet identifying the public's beliefs, emotions and sentiments towards its adoption in education remains largely uncharted empirically. Grounded in the Technology Acceptance Model (TAM) and Digital Diffusion Theory (DOI), this paper aims to fill this gap using a big‐data approach and machine learning to scrape comments made by social media users on recent popular posts or videos related to adopting the metaverse in education from three prominent social media platforms. The cleaning process narrowed down 11,024 comments to 4277, then analysed them using thematic, emotion and sentiment analysis techniques. The thematic analysis revealed that adopting the metaverse in education evokes a complex range of public beliefs: (1) innovative learning methods; (2) accessibility and inclusion; (3) concerns about quality and effectiveness; (4) technological challenges and the digital divide; (5) the future of work and skills; and (6) privacy and security concerns. Integrating these themes with emotion and sentiment analyses reveals a landscape of a significant portion of neutral sentiments that corroborates enthusiasm attenuated by caution. This careful consideration stresses the urgent need for a balanced approach to adopting the metaverse in education to ensure that resulting educational advancements benefit all learners equitably. As one of the first studies to offer a multidimensional view of the public's beliefs about metaverse education using big data, this research not only contributes to TAM and DOI but also provides critical insights that could inform policy, enhance educational practices and guide future scholarship in this emerging field.
Environmental, social, and governance (ESG) acquisitions: Deal structure and outcome
Authors: Gordano Silvia , Bauer Florian , King David R. 
Published: May 2024

AbstractEnvironmental, social, and governance (ESG) expectations from stakeholders affect firm decisions. We investigate ESG acquisitions with a focus on how a pre‐deal ESG gap influences how acquirers' structure ESG deals strategically and their outcomes in terms of combined ESG performance post‐acquisition. Drawing on relative capabilities and signaling research, with an international sample of 340 ESG deals, we find that acquirers with a higher ESG score relative to the target (i.e., low‐ESG acquisitions) are more likely to target smaller firms, use cash as method of payment, and complete deals faster. We also show that low‐ESG deals lead to an average increase in the combined entity's ESG performance in the 3 years after the acquisition, thus indicating ESG corrective acquisitions as an opportunity for ESG capabilities transfer and improvement. However, effects are influenced by an acquirer's embeddedness in the European institutional context where ESG stakeholder expectations are more developed.
Preparation of Rehmanniae Radix Praeparata Polysaccharide Iron(III) Complex and Evaluation of Its Biological Activity
Authors: Liu Si‐Mei , Liu Chong‐Ying , Chen Zi‐Long , Fang Yan , Jiao Fang‐Zheng , Zhang Li‐Hua , Zhang Ting‐Ting , Zhao Peng 
Published: May 2024

AbstractThis study extracted and purified a polysaccharide from Rehmanniae radix praeparata (RGP) with an average molecular weight. The structural characteristics of RGP and its iron (III) complex, RGP−Fe(III), were examined for their antioxidant properties and potential in treating iron deficiency anemia (IDA). Analysis revealed that RGP comprised Man, Rha, Gal, and Xyl, with a sugar residue skeleton featuring 1→3; 1→2, 3; and 1→2, 3, 4 linkages, among others. RGP−Fe(III) had a molecular weight of 4.39×104 Da. Notably, RGP−Fe(III) exhibited superior antioxidant activity compared to RGP alone. In IDA rat models, treatment with RGP−Fe(III) led to increased weight gain, restoration of key blood parameters including hemoglobin, red blood cells, and mean hemoglobin content, elevated serum iron levels, and decreased total iron‐binding capacity. Histological examination revealed no observable toxic effects of RGP−Fe(III) on the liver and spleen. These findings suggest the potential of RGP−Fe(III) as a therapeutic agent for managing IDA and highlight its promising antioxidant properties.
5’‐Methoxyarmillane, a Bioactive Sesquiterpenoid Aryl Ester from the Fungus Armillaria ostoyae
Authors: Orban Axel M. , Eichberg Johanna , Marner Michael , Breuer Sandra , Patras Maria A. , Mettal Ute , Schäberle Till F. , Rühl Martin 
Published: May 2024

AbstractHigher fungi of the genus Armillaria belonging to the phylum Basidiomycota produce bioactive sesquiterpenoid aryl esters called melleolides. A bioactivity‐guided discovery process led to the identification of the new melleolide 5’‐methoxyarmillane (1) in organic extracts from the mycelium of Armillaria ostoyae. Remarkably, supplementation of rapeseed oil to the culture medium potato dextrose broth increased the production of 1 by a factor of six during the course of the 35 days fermentation. Compound 1 was isolated and its structure elucidated by UHPLC‐QTOF‐HR‐MS/MS and NMR spectroscopy. It showed toxicity against Madin‐Darby canine kidney II (MDCK II, IC50 19.2 μg/mL, 44.1 μM) and human lung cancer Calu‐3 cells (IC50 15.2 μg/mL, 34.9 μM) as well as moderate bioactivity against Mycobacterium tuberculosis (MIC 8 mg/mL, 18.4 μM) and Mycobacterium smegmatis (MIC 16 mg/mL, 36.8 μM), but not against Staphylococcus aureus, Escherichia coli, Candida albicans, and Septoria tritici. No inhibitory effects of 1 against the influenza viruses H3N2, H1N1pdm, B/Malaysia, and B/Massachusetts were observed.
Prevalence and prognostic significance of malnutrition in patients with secondary mitral regurgitation undergoing transcatheter edge‐to‐edge repair
Authors: Pezzola Elisa , Tomasoni Daniela , Caneiro‐Queija Berenice , Raposeiras‐Roubin Sergio , Freixa Xavier , Arzamendi Dabit , Benito‐González Tomas , Montefusco Antonio , Pascual Isaac , Nombela‐Franco Luis , Rodes‐Cabau Josep , Shuvy Mony , Portolés‐Hernández Antonio , Godino Cosmo , Haberman Dan , Metra Marco , Estévez‐Loureiro Rodrigo , Adamo Marianna 
Published: May 2024

AbstractBackgroundMalnutrition is associated with poor prognosis in several cardiovascular diseases; however, its role in patients with secondary mitral regurgitation (SMR) is poorly known.AimsTo evaluate the impact of nutritional status, assessed using different scores, on clinical outcomes in patients with SMR undergoing transcatheter edge‐to‐edge repair (TEER) in a real‐world setting.MethodsA total of 658 patients with SMR and complete nutritional data were identified from the MIVNUT registry. Nutritional status has been assessed using controlling nutritional status index (CONUT), prognostic nutritional index (PNI), and geriatric nutritional risk index (GNRI) scores. Outcomes of interest were all‐cause mortality and all‐cause mortality or heart failure (HF) hospitalization.ResultsAny malnutrition grade was observed in 79.4%, 16.7%, and 47.9% of patients by using CONUT, PNI, and GNRI, respectively, while moderate to severe malnutrition was noted in 24.7%, 16.7%, and 25.6% of patients, respectively. At a median follow‐up of 2.2 years, 212 patients (32.2%) died. Moderate‐severe malnutrition was associated with a higher rate of all‐cause mortality (HR: 2.46 [95% CI: 1.69−3.58], HR: 2.18 [95% CI: 1.46−3.26], HR: 1.97 [95% CI: 1.41−2.74] for CONUT, PNI, and GNRI scores, respectively). The combined secondary endpoint of all‐cause mortality and HF rehospitalization occurred in 306 patients (46.5%). Patients with moderate‐severe malnutrition had a higher risk of the composite endpoint (HR: 1.56 [95% CI: 1.20−2.28], HR: 1.55 [95% CI: 1.01−2.19], HR: 1.36 [95% CI: 1.02−1.80] for CONUT, PNI, and GNRI scores, respectively). After adjustment for multiple confounders, moderate‐severe malnutrition remained independently associated with clinical outcomes.ConclusionsModerate‐severe malnutrition was common in patients with SMR undergoing TEER. It was independently associated with poor prognosis regardless of the different scores used.
Single and Binary Adsorption of Benzene, Phenol, and p‐Nitrophenol: Effect of Physical Interactions
Authors: Boutillara Yasmine , Tazibet Sana , Fernandez Velasco Leticia , Smati Yakoub , Boudjemaa Moussa , Betache Zohra 
Published: May 2024

AbstractThis work aims at emphasizing the impact of different physical interactions such as intermolecular ones between co‐adsorbed molecules on the adsorption mechanisms in the liquid phase. Thus, the adsorption of a low concentration (5 ppm) of benzene, phenol, and p‐nitrophenol from aqueous medium in single and binary mixture solutions is studied. Two activated carbons were prepared from two different activating agents and used in this regard. The adsorbed amounts are determined by high‐performance liquid chromatography. The results showed the great importance of the aforementioned interactions in the adsorption of phenol, particularly the interactions with the co‐adsorbed compounds. Indeed, phenol was remarkably better retained in binary mixture solutions than in a single one.
Asymmetric Carbene Transfer: Enhancing Chemical Diversity for Drug Discovery
Authors: Shi Taoda , Hu Wenhao 
Published: May 2024

AbstractThe quest to explore chemical space is vital for identifying novel disease targets, impacting both the effectiveness and safety profile of therapeutic agents. The tangible chemical space, currently estimated at a conservative 108 synthesized compounds, pales in comparison to the theoretically conceivable diversity of 1060 molecules. To bridge this vast gap, organic chemists are spearheading innovative methodologies that promise to broaden this limited chemical diversity. A beacon of this progressive wave is Asymmetric Carbene Transfer (ACT), a burgeoning strategy that significantly boosts molecular diversity with efficient bond‐formation and precise chiral control. This review focuses on the capabilities of ACT in creating pharmaceutically significant molecules, encompassing an array of natural products and bioactive compounds. Through the lens of ACT, we discern its substantial influence on drug discovery, paving the way for novel therapeutic avenues by expanding the boundaries of molecular diversity. This review will shed light on prospective methodological developments of ACT and articulate their conceivable contributions to the medicinal chemistry arena.
Coinage Metal Complexes of a Sterically Encumbered Anionic Pyridylborate
Authors: Vanga Mukundam , Muñoz‐Castro Alvaro , Dias H. V. Rasika 
Published: May 2024

AbstractSterically loaded, anionic pyridine has been synthesized and utilized successfully in the stabilization of a isoleptic series of coinage metal complexes. The treatment of [4‐(Ph3B)‐2,6‐Trip2Py]K (Trip=2,4,6‐iPr3C6H2) with CuBr(PPh3), AgCl(PPh3) or AuCl(PPh3) (Py=pyridine) afforded the corresponding [4‐(Ph3B)‐2,6‐Trip2Py]M(PPh3) (M=Au, Ag, Cu) complexes, via salt metathesis, as isolable, crystalline solids. Notably, these reactions avoid the facile single electron transfer chemistry reported with the less bulky ligand systems. The X‐ray structures revealed that they are two‐coordinate metal adducts. The M−N and M−P bond distances are longest in the silver and shortest in the copper adduct among the three group 11 family members. Computational analysis revealed an interesting stability dependence on steric bulk of the anionic pyridine (i. e., pyridyl borate) ligand. A comparison of structures and bonding of [4‐(Ph3B)‐2,6‐Trip2Py]Au(PPh3) to pyridine and m‐terphenyl complexes, {[2,6‐Trip2Py]Au(PPh3)}[SbF6] and [2,6‐Trip2Ph]Au(PPh3) are also provided. The Au(I) isocyanide complex, [4‐(Ph3B)‐2,6‐Trip2Py]Au(CNBut) has been stabilized using the same anionic pyridylborate illustrating that it can support other gold‐ligand moieties as well.
Iron‐Catalyzed, Light‐Driven Decarboxylative Alkoxyamination
Authors: Innocent Milan , Tanguy Clément , Gavelle Sigrid , Aubineau Thomas , Guérinot Amandine 
Published: May 2024

AbstractAn iron‐catalyzed visible‐light driven decarboxylative alkoxyamination is disclosed. In the presence of FeBr2 and TEMPO, a large array of carboxylic acids including marketed drugs and biobased molecules is turned into the corresponding alkoxyamine derivatives. The versatility of the latter offers an entry towards molecular diversity generation from abundant starting materials and catalyst. Overall, this method proposes a unified and general approach for LMCT‐based iron‐catalyzed decarboxylative functionalization.
Ligand Basicity and Chelate Effects on Sulfur Insertion vs. Sulfur Reduction by Zinc Thiolate Complexes
Authors: Seo W. T. Michael , Tsang Victor A. , Ballesteros Moises , Tsui Emily Y. 
Published: May 2024

Abstract4‐ and 5‐coordinate zinc thiolate complexes supported either by bis(carboxamide)pyridine frameworks or by substituted tris(pyrazolyl)borate ligands react with elemental sulfur (S8) following two distinct pathways. Some zinc thiolate moieties insert sulfur atoms to form zinc polysulfanide complexes, while others reduce sulfur and oxidize the thiolate. Here, we compare the effects of ligand electronics, strain, and sterics for selecting the respective reaction pathway. These results show that chelating and electron‐deficient thiolate ligands better stabilize persistent zinc‐bound polysulfanide species.
Screening of Astec® CHIRALDEX™ G‐PN and LIPODEX™ D gas chromatography columns for enantioseparation of amphetamine derivatives
Authors: Hubner Eva‐Maria , Schützinger Sophie , Molnárová Katarína , Schmid Martin G. 
Published: May 2024

AbstractAmong different substance classes, New Psychoactive Substances (NPS) comprise chiral amphetamines for stimulant and empathic effects. There is little knowledge in terms of clinical studies about possibly different effects of the two enantiomers of novel amphetamine derivatives. For this reason, there is a big demand for enantioseparation method development of this new substance class.Regarding gas chromatography, cyclodextrins proved to be effective for enantioseparation of NPS. In our attempt, an Astec® Chiraldex™ G‐PN column containing 2,6‐di‐O‐pentyl‐3‐propionyl‐γ‐cyclodextrin and a Lipodex™ D column containing heptakis‐(2,6‐di‐O‐pentyl‐O‐acetyl)‐β‐cyclodextrin as chiral selector served as stationary phases in a Shimadzu GCMS‐QP2010 SE system.Because of the special coating, maximum temperature is limited to 200 °C isothermal or 220 °C in programmed mode. To ensure detection, trifluoroacetic anhydride (TFAA) was used to increase sample volatility.1 As a result, 35 amphetamines were tested as their TFAA‐derivatives.A screening method with a temperature gradient from 140 °C to 200 °C at a heating ramp of 1 °C per minute and final time of 5 min, showed baseline separation for seven and partial separations for 16 trifluoro acetylated amphetamines using the Chiraldex™ G‐PN column. Six baseline and nine partial separations were observed with the Lipodex™ D column, respectively.
Stable Electron Spin Pan on Aromatic Oxalic Acid Radical
Authors: Huang Jiaxing , Liao Chenghui , Guan Longtian , Meng Qiao , Gu Sichen , He Zhicai , Li Yuan 
Published: May 2024

Comprehensive SummaryThe stability of organic radicals in ambient condition is important for their practical application. During the development of organic radical chemistry, the electron‐withdrawing and steric hindrance groups are usually introduced to improve the stability of radicals via reducing the reactivity of radicals with oxygen in air. Herein, the electron‐withdrawing carbonyl groups are introduced to construct a planar aromatic oxalic acid radical (IDF‐O8) with two‐dimensional electron spin pan structure. Interestingly, IDF‐O8 exhibited a low optical bandgap of 0.91 eV in film, however, the multiple quinone resonance structures between electron‐withdrawing ketone and phenol radicals contribute to the high stability of open‐shell radical IDF‐O8 without protection of large steric hindrance groups. Under the irradiation of 808 nm (1.2 W·cm–2), IDF‐O8 reaches 147 °C in powder state. This work provides an efficient synthesis route for the open‐shell electron spin pan system, which is different from the famous fullerene, carbon nanotube and graphene. The electron spin pan can be extended to spin tube or spin sphere system based on the design strategy of aromatic inorganic acid radicals in future.
A one‐dimensional computational model for blood flow in an elastic blood vessel with a rigid catheter
Authors: Pradhan Aseem Milind , Mut Fernando , Cebral Juan Raul 
Published: May 2024

AbstractStrokes are one of the leading causes of death in the United States. Stroke treatment involves removal or dissolution of the obstruction (usually a clot) in the blocked artery by catheter insertion. A computer simulation to systematically plan such patient‐specific treatments needs a network of about 105 blood vessels including collaterals. The existing computational fluid dynamic (CFD) solvers are not employed for stroke treatment planning as they are incapable of providing solutions for such big arterial trees in a reasonable amount of time. This work presents a novel one‐dimensional mathematical formulation for blood flow modeling in an elastic blood vessel with a centrally placed rigid catheter. The governing equations are first‐order hyperbolic partial differential equations, and the hypergeometric function needs to be computed to obtain the characteristic system of these hyperbolic equations. We employed the Discontinuous Galerkin method to solve the hyperbolic system and validated the implementation by comparing it against a well‐established 3D CFD solver using idealized vessels and a realistic truncated arterial network. The results showed clinically insignificant differences in steady flow cases, with overall variations between 1D and 3D models remaining below 10%. Additionally, the solver accurately captured wave reflection phenomena at domain discontinuities in unsteady cases. A primary advantage of this model over 3D solvers is its ease in obtaining a discretized geometry of complex vasculatures with multiple arterial branches. Thus, the 1D computational model offers good accuracy and applicability in simulating complex vasculatures, demonstrating promising potential for investigating patient‐specific endovascular interventions in strokes.
Self‐Modification of Defective TiO2 under Controlled H2/Ar Gas Environment and Dynamics of Photoinduced Surface Oxygen Vacancies
Authors: Tjardts Tim , Elis Marie , Shondo Josiah , Voß Lennart , Schürmann Ulrich , Faupel Franz , Kienle Lorenz , Veziroglu Salih , Aktas Oral Cenk 
Published: May 2024

AbstractIn recent years, defective TiO2 has caught considerable research attention because of its potential to overcome the limits of low visible light absorption and fast charge recombination present in pristine TiO2 photocatalysts. Among the different synthesis conditions for defective TiO2, ambient pressure hydrogenation with the addition of Ar as inert gas for safety purposes has been established as an easy method to realize the process. Whether the Ar gas might still influence the resulting photocatalytic properties and defective surface layer remains an open question. Here, we reveal that the gas flow ratio between H2 and Ar has a crucial impact on the defective structure as well as the photocatalyic activity of TiO2. In particular, transmission electron microscopy (TEM) in combination with electron energy loss spectroscopy (EELS) revealed a larger width of the defective surface layer when using a H2/Ar (50 %–50 %) gas mixture over pure H2. A possible reason could be the increase in dynamic viscosity of the gas mixture when Ar is added. Additionally, photoinduced enhanced Raman spectroscopy (PIERS) is implemented as a complementary approach to investigate the dynamics of the defective structures under ambient conditions which cannot be effortlessly realized by vacuum techniques like TEM.
How dispersal rates depend on the prey capture strategy: A case study of Georgia's spiders
Authors: Tarkhnishvili David , Seropian Armen , Erhardt Christoph , Kachlishvili Nino , Krammer Hans‐Joachim , Hein Nils 
Published: May 2024

AbstractLarge‐scale barcoding projects help to aggregate information on genetic variability of multiple species throughout their ranges. Comparing DNA sequences of both non‐conspecific and conspecific individuals from distant parts of their ranges helps to compare level of genetic isolation‐by‐distance patterns in different species and adaptive types. We compared mitochondrial CO1 gene sequences of 223 spiders from Georgia (Caucasus), representing 124 species and eight families, with 3097 homological sequences from spiders mostly from Europe, but also from other parts of the World. In most families, a significant isolation‐by distance pattern was observed on family level. On species level, a significant isolation‐by‐distance was observed in 40 species, although this low proportion is most likely related to a lack of data. Simultaneously, remarkable differences in spatial structure were shown for different species. Although the majority of the studied species have a broad western Palearctic range, web‐building spiders from families Araneidae, Theridiidae, and Linyphiidae are less isolated spatially than flower spiders (Thomisidae), jumping spiders (Salticidae), wolf spiders (Lycosidae), sac spiders (Clubionidae), and ground spiders (Gnaphosidae). This pattern is related with more common ballooning in web building than in actively hunting spiders, which commonly remain isolated since preglacial time. Ground spiders build the most isolated populations in the Caucasus.
Relative predation intensity of an intertidal gastropod on artificial coastal defense structures
Authors: Yeo Hannah H. J. , Yeo Jing Ying , Todd Peter A. 
Published: May 2024

AbstractDespite seawalls becoming ubiquitous coastal features, and having some physical similarities to natural rocky shores, it remains unclear how these urban habitats influence predator–prey interactions. Predators can affect intertidal mobile prey densities through two pathways: (1) successful predation directly influences prey mortality rates, and (2) direct and indirect effects of predation can scare and induce motile prey to seek safer areas. In this study, we investigated whether intertidal predators affect the density of the marine gastropod, Nerita undata, at four seawall sites in Singapore. Using a tethering method that we developed, we monitored the mortality and other evidence of predation (shell state) of tethered N. undata. Field experiments revealed high (22.5%–82.5%) predation potential of N. undata across the four sites, with significantly higher predation risk at lower shore heights and for snails with mixed shell coloration. Observations and analysis of the shell state after 3 days showed that predation on seawalls was primarily by crushing predators such as fish. Other predators of N. undata include predatory snails, with various feeding methods that left behind different predator signatures. Our results add substantially to the limited knowledge on predator–prey interactions on seawalls, particularly for Nerita undata, and suggest that seawall systems are more dynamic than previously thought. This further highlights the role of these artificial structures as important habitats and feeding grounds in urban coastal ecosystems.