bluuebunny/crossref_metadata_2025_split huggingface dataset:
Immobilizing Bimetallic RuCo Nanoalloys on Few‐Layered MXene as a Robust Bifunctional Electrocatalyst for Overall Water Splitting
Authors: Yu Xu , Lin Longjie , Pei Chengang , Ji Shenjing , Sun Yuanyuan , Wang Yang , Kyu Kim Jung , Seok Park Ho , Pang Huan 
Published: November 2023

AbstractDoping Co atoms into Ru lattices can tune the electronic structure of active sites, and the conductive MXene can adjust the electrical conductivity of catalysts, which are both favorable for improving the electrocatalytic activity of the catalyst for water splitting. Here, ruthenium‐cobalt bimetallic nanoalloys coupled with exfoliated Ti3C2Tx MXene (RuCo−Ti3C2Tx) have been constructed by ice‐templated and thermal activation. Due to the strong interaction between the RuCo nanoalloys and conductive MXene, RuCo−Ti3C2Tx not only exhibits an excellent hydrogen evolution reaction (HER) performance with a low overpotential and Tafel slope (60 mV, 34.8 mV dec−1 in 0.5 M H2SO4 and 52 mV, 38.7 mV dec−1 in 1 M KOH), but also good oxygen evolution reaction (OER) performance in an alkaline electrolyte (266 mV, 111.1 mV dec−1 in 1 M KOH). The assembled RuCo−Ti3C2Tx||RuCo−Ti3C2Tx electrolyzer requires a lower potential (1.56 V) than does the Pt/C||RuO2 electrolyzer at 10 mA cm−2. A boosted catalytic HER activity from immobilizing the RuCo nanoalloys on MXene was unveiled by density functional theory calculations. This study provides a feasible and efficient strategy for developing MXene‐based catalysts for overall water splitting.
From an Isolable Bismolyl Anion to an Yttrium–Bismolyl Complex with μ‐Bridging Bismuth(I) Centers and Polar Covalent Y‐Bi Bonds
Authors: Pugliese Elizabeth R. , Benner Florian , Demir Selvan 
Published: November 2023

AbstractInvited for the cover of this issue is the group of Selvan Demir at the Michigan State University. The cover art depicts the helicopter landing of the first crystallographically characterized bismolyl anion potassium salt in a desert oasis landscape with pyramids of elemental bismuth. Read the full text of the article at 10.1002/chem.202302687.
Integrating Micro Process Chemistry into an NMR Spectrometer
Authors: Schulte-Hermann Julia , Yang Jing , Hurtado Rivera Andrea C. , Korvink Jan G. , MacKinnon Neil , Brandner Jürgen J. 
Published: November 2023

AbstractMiniaturization has proven to be a compelling strategy in many research areas and continuous progress in micro fabrication has contributed to its growing popularity. These advances offer opportunities in analytical characterization technologies. Nuclear magnetic resonance is one such characterization method that has greatly benefited from miniaturization. Many research opportunities remain to be explored, leveraging the advantages of miniaturization in NMR. Here, the benefits of NMR‐miniaturization in the fields of micro process engineering, gas‐based hyperpolarization, and small‐scale bioreactors are reviewed. These applications are discussed in the context of modern micro fabrication approaches and materials, highlighting the most compatible with NMR applications.
Ammonia Synthesis over Fe‐Supported Catalysts Mediated by Face‐Sharing Nitrogen Sites in BaTiO3−xNy Oxynitride
Authors: Miyazaki Masayoshi , Ikejima Keisuke , Ogasawara Kiya , Kitano Masaaki , Hosono Hideo 
Published: November 2023

AbstractInvited for this Issue's cover is the group of Professor Hideo Hosono at Tokyo Institute of Technology. The Cover image explores the question which activation dominates N2 activation for ammonia synthesis. The Research Article itself is available at 10.1002/cssc.202300551.
Cytomorphologic and immunocytochemical characterization of pediatric pleuropulmonary blastoma with a comprehensive review of the literature
Authors: Gupta Parikshaa , Chugh Sanjoli , Gupta Nalini , Gupta Kirti , Sodhi Kushaljit Singh , Kakkar Nandita , Srinivasan Radhika , Rohilla Manish , Kundu Reetu , Trehan Amita , Bansal Deepak , Peters Nitin James 
Published: November 2023

AbstractIntroductionPleuropulmonary blastoma (PPB) is a rare, aggressive, primary intrathoracic malignancy typically seen in infancy and early childhood. Accurate distinction from congenital cystic lung lesions is crucial due to significant prognostic and therapeutic differences. Cytologic features have rarely been described. Establishing a cytodiagnosis is challenging owing to its rarity, lack of awareness, and multiple morphologic mimics.Materials and MethodsThis was a retrospective study conducted over 8 years. The histopathology and cytopathology databases were searched for all pediatric PPB cases. The corresponding cytologic samples were reviewed to identify characteristic features that can help distinguish PPB from its mimics.ResultsThere was a total of six cases of pediatric PPB reported during the study period. Of these, four (66.7%) presented as intrathoracic, and two (33.3%) as pleural‐based masses. Cytology smears showed discretely scattered and perivascular arrangements of round‐oval tumor cells with background eosinophilic stromal material. The tumor cells were mildly pleomorphic (n = 3) with round nuclei, fine chromatin, inconspicuous nucleoli, and scanty cytoplasm; however, three cases showed marked anaplasia, and one each showed necrosis and rhabdoid differentiation. On immunocytochemistry (4/6), these were positive for vimentin and desmin and negative for WT1, chromogranin, SALL4, cytokeratin, CD45, and CD99. FISH (1/6) did not show N‐Myc amplification.ConclusionsKnowledge of the characteristic cytomorphological and immunocytochemical features of PPB is vital to establish a prompt and accurate cytodiagnosis with appropriate clinicoradiologic correlation.
Going deeper into eating and body image pathology in males: Prevalence of muscle dysmorphia and eating disorders in a university representative sample
Authors: Rica R. , Sepúlveda A. R. 
Published: November 2023

AbstractDisorders associated with body dissatisfaction such eating disorders (ED) and muscle dysmorphia (MD) in males are understudied and surrounded by controversy regarding their nosological aspects. The current study examined the prevalence rates of clinical cases of ED and MD through a two‐phase study with gold standard clinical interview in a representative sample of 850 Spanish undergraduate men, of whom 141 were interviewed. Levels of body dissatisfaction, compulsive exercise, anxious‐depressive symptoms and the amount of physical activity were also explored. A prevalence rate for ED of 1.4% and 1.3% for MD was found. No differences were observed between the clinical groups on scales related to body image, supporting the current perspective that MD as well as ED and Body Dysmorphic Disorder could be clustered in a new spectrum of body image disorders, where the behaviours performed to achieve body change could range from restriction or muscularity‐oriented eating alterations to pathological exercise or cosmetic surgery. The usefulness of the cut‐off points of the screening questionnaires in MD and ED in males are discussed.
Statistically derived morphological signatures of large river channels extracted from topo‐bathymetric LiDAR data
Authors: Andréault Alex , Rodrigues Stephane , Gaudichet Corentin , Wintenberger Coraline Lise 
Published: November 2023

AbstractWith the development of LiDAR technology and the availability of topo‐bathymetric data of high quality, new methods are emerging to describe and understand more accurately fluvial geomorphology. We explore the capacities of probability density functions (PDFs) of detrended dimensionless elevations extracted from digital elevation models (DEMs) to document channels morphology and configuration. These DEMs were obtained from a topo‐bathymetric LiDAR survey of 450 km performed on the middle and lower reaches of the largest river of France: the Loire River. The objective is to propose a thorough and complete method for PDF analysis in order to assess the vertical structuration of river reaches presenting various fluvial patterns. The analysis was conducted on the PDFs of active channel belt of four sites selected for the diversity of their morphological configurations (anabranching, braided, channelized and meandering). Results showed that PDFs appear to be specific of a reach and that they are useful for describing its vertical structure. The simplification with Gaussian mixture model (GMM) is effective in slicing PDF and the resulting Gaussians components are related to morphological units (MUs). The distance between Gaussian curves obtained using GMMs can be considered as an indicator of topo‐bathymetric connectivity between MUs (e.g., main and side channels) on sites presenting multichannel or channelized channel configurations. The study showed the high potential of PDF and GMM analysis in the field of fluvial geomorphology and suggests interesting developments for river management and restoration.
Development of CHARMM compatible force field parameters and molecular dynamics simulations for the pesticide flupyradifurone
Authors: Bouchouireb Zakaria , Thany Steeve H. , Le Questel Jean‐Yves 
Published: November 2023

AbstractFlupyradifurone (FLU) is a novel butenolide insecticide with partial agonist activity for insect nicotinic acetylcholine receptors. Its safety for non‐target organisms has been questioned in the literature, despite initial claims of its harmlessness. Detailed understanding of its toxicity and related molecular mechanisms remain under discussion. Thus, in this work, an optimized set of CHARMM compatible parameters for FLU is presented. CHARMM General Force Field program was used as a starting point while the non‐bonded and bonded parameters were adjusted and optimized to reproduce MP2/6‐31G(d) accuracy level results. For the validity assessment of these parameters, infrared spectrum, water‐octanol partition coefficient, and normal modes were computed and compared to experimental values found in the literature. Several MD simulations of FLU in water and FLU in complex with an acetylcholine‐binding protein were performed to estimate the ability of the optimized parameters to correctly describe its torsional space and reproduce observed crystallographic trends respectively.
Production of poly‐gamma‐glutamic acid and spore formation in Bacillus velezensis 83 are affected by acidic growing conditions and glucose uptake rate
Authors: Cristiano‐Fajardo Sergio Andrés , Barrón‐Reyes Daniela , Flores Celia , Luna‐Bulbarela Agustín , Soriano‐Peña Esmeralda , Tinoco‐Valencia Raunel , Galindo Enrique , Serrano‐Carreón Leobardo 
Published: November 2023

AbstractBACKGROUNDBacillus velezensis 83 is a biocontrol agent and plant growth promoting bacteria that produces antifungal compounds (surfactin and bacilomycin D), plant growth stimulation metabolites such as acetoin and butanediol and the polymer poly‐gamma‐glutamic acid (γ‐PGA), which is essential for bacterial plant colonization. Bacillus sporulation is an important trait in order to obtain long shelf‐life formulations for biocontrol purposes. γ‐PGA production and sporulation are closed‐related processes controlled by glucose availability and modulated by quorum sensing. High spore production (and its recovery) in B. velezensis 83 cultures is limited by the high viscosity oxygen‐limited broths resulting from γ‐PGA accumulation. This work studied the influence of acidic growing conditions and glucose specific uptake rate on growth, quorum sensing‐related metabolites production and sporulation of B. velezensis 83.RESULTSIn batch cultures developed at pH = 5, no bacterial sporulation was detected and quorum sensing related metabolites as γ‐PGA (not detected) and surfactin and bacillomycin were significantly decreased. Instead, acetoin and butanediol were the main products. In contrast, in continuous cultures developed at pH = 5, spores were detected at D = 0.06 h−1. The results indicate that sporulation at pH = 5 is not inhibited by affectations on quorum sensing signals but could be due to a low availability/transport of energy sources (i.e., glucose or acetoin/butanediol) or an affectation on Rap‐Phr system.CONCLUSIONThe findings in this study allow to establish a two‐stage process for Bacillus velezensis 83 spore production: bacterial growth at pH = 5 and sporulation at pH = 6.8. © 2023 Society of Chemical Industry (SCI).
The combination of listening to background music and deep breathing as a stress reduction strategy during dental preclinical study
Authors: Felszeghy Szabolcs , Kurki Pirjo , Liukkonen Mikko , Suominen Anna Liisa , Huhtela Outi 
Published: November 2023

AbstractObjectivesAccording to our earlier study, background music can help foster dental preclinical manual dexterity training and learning and has the potential to increase student satisfaction and productivity. Deep diaphragmatic breathing helps produce a relaxed mental state and is considered a behavioral coping strategy to reduce anxiety. Experimental data on whether background music combined with deep belly breathing reduces the stress and anxiety of preclinical dental students during practice is lacking. Thus, we focused on evaluating the effects of the combined use of these two techniques on dental students during preclinical manual skills training.MethodsThirty‐one voluntary 3rd‐year dental students’ anxiety levels and their behavioral changes were monitored via anonymous, voluntary surveys including the Patient Health Questionnaire‐4, General Health Questionnaire‐12 (GHQ‐12), and Visual Analogue Scale for Anxiety (VAS‐A).ResultsOverall, stress measured by GHQ‐12 decreased significantly in female students (p = 0.025), but not in males. Both background music and deep belly breathing significantly reduced all students' fear and stress based on their VAS‐A scores in practice. However, a clear difference from the nonuse of coping strategies could not be conclusively shown. The students regarded the course positively based on survey replies.ConclusionsThe combined use of the two coping strategies delivered beneficial effects to the preclinical dental students: they reduced the amount of stress in the supervised preclinical students and considerably cut down the students’ anxiety. Further investigation of this new dental training scenario may help professionals provide better student education and care management during the dental preclinical phase.
Exploring the mechanism underlying the therapeutic effects of butein in colorectal cancer using network pharmacology and single‐cell RNA sequencing data
Authors: Lu Ye , Shan Li , Cheng Xu , Zhu Xiao‐Li 
Published: November 2023

AbstractBackgroundButein has shown substantial potential as a cancer treatment, but its precise mechanism of action in colorectal cancer (CRC) remains unclear. This study aimed to uncover the underlying mechanisms through which butein operates in CRC and to identify potential biomarkers through a comprehensive investigation.MethodsTarget genes associated with butein were sourced from SwissTargetPrediction, CTD, BindingDB and TargetNet. Gene expression data from the GSE38026 dataset and the single‐cell dataset (GSE222300) were retrieved from the Gene Expression Omnibus database. The activation of disease‐related pathways was assessed using Kyoto Encyclopedia of Genes and Genomes, Gene Ontology and differential gene analysis. Disease‐associated genes were identified through differential analysis and weighted gene co‐expression network analysis (WGCNA). The protein–protein interaction network was utilized to pinpoint potential drug targets. Molecular complex detection (MCODE) analysis was employed to uncover relevant genes influenced by butein within key subgroup networks. Machine learning techniques were applied for the screening of potential biomarkers, with receiver operating characteristic curves used to evaluate their clinical significance. Single‐cell analysis was conducted to assess the pharmacological targets of butein in CRC, with validation performed using the external dataset GSE40967.ResultsA total of 232 target genes for butein were identified. Functional enrichment analysis revealed significant enrichment of signaling pathways, including mitogen‐activated protein kinase, JAK‐STAT and NF‐κB, among these genes. Differential analysis, in conjunction with WGCNA, yielded 520 disease‐related genes. Subsequently, a disease‐drug‐gene network consisting of 727 targets was established, and a subnetwork containing 56 crucial genes was extracted. Important pathways such as the FoxO signaling pathway exhibited significant enrichment within these key genes. Machine learning applied to the 56 important genes led to the identification of a potential biomarker, UBE2C. Receiver operating characteristic analysis demonstrated the excellent clinical predictive utility of UBE2C. Single‐cell analysis suggested that butein’s therapeutic effects might be linked to its influence on epithelial and T cells, with UBE2C expression associated with these cell types. Validation using the external dataset GSE40967 further confirmed the exceptional clinical predictive capability of UBE2C.ConclusionThis study combines network pharmacology with single‐cell analysis to unravel the mechanisms underlying butein’s effects in CRC. Notably, UBE2C emerged as a promising biomarker with superior clinical efficacy. These research findings contribute significantly to our understanding of specific molecular mechanisms, potentially shaping future clinical practices.
Faba bean (Vicia faba L.) varieties reveal substantial and contrasting organic phosphorus use efficiencies (PoUE) under symbiotic conditions
Authors: Amoako Frank K. , Jillani Ghulam , Sulieman Saad , Mühling Karl H. 
Published: November 2023

AbstractBackgroundThe excessive use of inorganic P (Pi) in soils is alarming as it is causing numerous environmental problems and may lead to the depletion of rock phosphate reserves earlier than expected. Hence, to limit the over‐dependence on Pi, there is the need to investigate organic phosphorus (Po), which is the dominant P form of soil P pool, as an alternate P source for plant growth.AimThe present study seeks to investigate organic P use efficiency of eight varieties of faba bean grown symbiotically.MethodsThe plants were grown in pots (6 kg soil) under greenhouse condition with three P source, namely, phytic acid (organic P, Po), KH2PO4 (inorganic P, Pi), and no‐P. The P was applied at the rate of 1.79 g kg−1 soil.ResultsThe plants grown with Po and Pi produced similar amounts of root, shoot, and total dry matters. Despite producing statistically similar dry matters, P uptake by Pi‐fertilized plants was twofold higher than by Po‐fertilized plants. Meanwhile, Pi differed significantly from Po in terms of nodulation characteristics such as nodule dry biomass and individual nodule dry biomass. However, Po varied significantly from Pi in P utilization and acquisition efficiencies. Principal component analysis of Pi and Po revealed no significant variation and close association, confirming the nonsignificant differences between the two P treatments. Among the varieties tested, Tiffany tended to accumulate more dry matter, coupled with highest organic P utilization efficiency (0.48 g mg−1) as well as the highest organic P beneficiary factor (80%).ConclusionThese results provide a solid basis for further comparisons at physiological, biochemical, and molecular levels between Tiffany (Po‐efficient) and Fuego (Po‐inefficient) varieties, offering deep insights into and making it easier to understand the mechanisms that allow soil Po to be utilized under symbiotic conditions.
Higher‐Order States in a Non‐Hermitian 3D Topological Photonic Crystal
Authors: Wang Xiaoxiao , Gu Ruizhe , Li Yandong , Qi Huixin , Hu Xiaoyong , Gong Qihuang 
Published: November 2023

AbstractHigher‐order topological insulators hosting topological modes at hinges and corners provide a new avenue for disorder‐immune light transport, which prospects great potential in applications of integrated photonics devices. However, the active control of topological modes in 3D higher‐order topological insulators is not realized yet, and its construction is too complicated and huge to analyze. Here, a method is proposed to construct effective Hamiltonians for higher‐order topological insulators, which provides a correct physical picture of the states and the corresponding energies at the domain walls. A non‐Hermitian 3D honeycomb lattice is constructed, which can generate arbitrary‐located, arbitrary‐shaped, and robust topological hinge states propagating at gain‐loss domain walls. The 3D honeycomb lattice can also appear as non‐Hermitian third‐order TIs exhibiting corner states, which can be dynamically controlled and show new topologically protected confinement rules. This work expands the understanding of the topological properties in non‐Hermitian systems and enables the dynamic control of topological states of different dimensions.
An implicit consideration of fluid flow in the calculation of drying shrinkage of porous materials: Case of saturated concrete in low humidity environment
Authors: Zou Yuliang , Saad Mazen , Grondin Frédéric , Alam Syed Yasir 
Published: November 2023

AbstractThe drying shrinkage of porous materials is significantly dependent on external relative humidity (). The perspective of temperature increase due to the climate change will accentuate the drying phenomenon in structures in lands and cities. The evolution of shrinkage can be determined by equivalent pore pressure consisting of capillary pressure , disjoining pressure and pressure caused by interfacial energy. For concrete structures, up to condition, standard models can reproduce the drying shrinkage experiments accurately. However, as the decreases to 30%, these models seem to be limited because the measured relationship () differs from the corresponding static equilibrium relationship as the drying occurs rapidly and the dynamic fluid flow effects on capillary pressure have been neglected. In this paper, the standard shrinkage model has been improved to take into account the dynamic flow effect and the viscoelastic behaviour of the solid skeleton. The dynamic and standard models have been compared with experimental results of drying shrinkage of concrete with two different relative humidity conditions. The standard model clearly showed its limitations at low external relative humidity . However, the dynamic model showed good prediction of mass loss and shrinkage strains at high and low humidity conditions. Furthermore, the numerical and experimental investigations indicate that not only the dynamic effects but also the additional pressure induced by surface energy should be taken into account to quantify the drying shrinkage of cement‐based materials at low condition.