bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modulating the Coverage of Adsorbed Hydrogen via Hydrogen Spillover Enables Selective Electrocatalytic Hydrogenation of Phenol to Cyclohexanone
Authors: Liu Yuanbo , Ji Kaiyue , Wang Xi , Shi Qiujin , Li An‐Zhen , Yin Zhuoqun , Zhu Yu‐Quan , Duan Haohong 
Published: December 2024

AbstractSelective electrocatalytic hydrogenation (ECH) of phenol is a sustainable route to produce cyclohexanone, an industrially important feedstock for polymer synthesis. However, attaining high selectivity and faradaic efficiency (FE) for cyclohexanone remain challenging, owning to over‐hydrogenation of phenol to cyclohexanol and competition of hydrogen evolution reaction (HER). Herein, by employing hydrogen spillover effect, we modulate adsorbed hydrogen species (Hads) coverage on Pt surface via migration to TiO2 in an anatase TiO2‐supported Pt catalyst. In ECH of phenol, a high selectivity (94 %) and good FE (63 %) for cyclohexanone are obtained, showing more advantageous performance compared with previous reports. Cyclic voltammetry (CV) tests and electrochemical Raman spectroscopy reveal that Hads migrated from Pt to TiO2. We propose that TiO2‐induced hydrogen spillover contributes to low Hads coverage over Pt, which effectively hinders over‐hydrogenation of cyclohexanone and HER. We establish a scaling relationship between the intensity of hydrogen spillover and cyclohexanone selectivity by varying the types of anatase TiO2, and show the universality of the strategy over other reducible metal oxides as the support (rutile TiO2, CeO2 and WO3). This work showcases an effective strategy for tuning hydrogenation selectivity in electro‐catalysis, by taking advantage of thermo‐catalytically well‐documented hydrogen spillover effect.
Study on the Desorption Mechanism of Sulfur Dioxide–Modified Activated Carbon Based on Density Functional Theory
Authors: Chen Cong , Wang Rui , Liu Xiaoshuo , Duan Yufeng , Shi Weidong , Cai Huatong , Fang Guofeng , Yan Linpeng , Wang Zhenxiong 
Published: December 2024

ABSTRACTActivated carbon injection technology is the primary method used to control the mercury emissions from coal‐fired power plants. The preparation of sulfur‐loaded carbon‐based adsorbents through SO2 modification of the surface of activated carbon (the primary component) provides an effective solution to enhancing the mercury removal performance of adsorbents. However, there remains a lack of clarity on the adsorption performance and mechanism of mercury on the newly formed active sites of the carbon surface after SO2 sulfur loading modification. In this study, four potential structures of SO2 loaded onto the surface of activated carbon were constructed. Quantum chemical calculation methods were applied to calculate the adsorption process of Hg in these four models, with those important characteristics identified such as bonding properties, adsorption energy, electrostatic potential, and molecular orbitals. As indicated by those results, the adsorption bonds of the SO2‐modified activated carbon were mainly C‐O‐S and C‐S‐C. After the carbon cluster model adsorbed SO2 molecules, the sulfur in SO2 exhibited a strong positive potential that facilitated the loss of electrons from Hg due to the potential difference. Consequently, HgO was firmly adsorbed onto the surface of the carbon cluster. As revealed by the molecular orbital calculations performed after Hg adsorption on the two carbon cluster models, SO2‐modified and elemental sulfur‐modified activated carbons, in the SOAC‐Arm‐1 configuration, there was a clear exchange orbital around the adsorbed Hg atom in the LUMO, with a small HOMO–LUMO energy gap of only 0.01713 eV. At this point, the free electrons on the molecule were prone to orbital transitions, promoting the occurrence of adsorption reactions. The SOAC‐Arm‐3 conformation exhibited the shortest C‐Hg bond length and had an adsorption energy of up to −70.42 kJ/mol, indicating a stronger chemical bonding ability and a higher likelihood of adsorption reactions. These results demonstrate the feasibility of sulfur‐loaded modified activated carbon to mitigate Hg pollution through SO2.
Design, Synthesis, and Evaluation of Benzoxazine Copolymers for Anti‐Corrosion Coating Applications Based on Improved High Crosslinking Density and Hydrophobicity
Authors: Zhang Ai Ping , Zhao Wei , Li Xin Kang , Bian Jun , Ni Ke Yang , Yang Ke Cheng , Lin Hai Lan , Chen Dai Qiang 
Published: December 2024

ABSTRACTThe main‐chain benzoxazine (BA‐ddm) and diamine‐type benzoxazine (Ph‐hda) were prepared by solution method, and a series of copolymers were prepared by mixing them at various mass ratios. Second, copolymer coatings (P(PB)) were prepared on the surface of the tinplate by dip coating and heat curing. The results of FTIR and 1HNMR showed that the benzoxazine copolymer coating was successfully prepared. DSC test results showed that the copolymerization of two benzoxazine oligomers was promoted by the introduction of BA‐ddm containing phenolic hydroxyl groups. The introduction of Ph‐hda containing a long aliphatic chain provided the copolymer coatings with good hydrophobicity, as verified by the hydrophilicity and hydrophobicity tests. When the mass ratio of BA‐ddm to Ph‐hda was 1:19, the water contact angle and water absorption of P(PB5) were 100.10% and 0.56%, respectively. The results of dynamic polarization curves and electrochemical impedance spectroscopy (EIS) indicated that different copolymer coatings had good corrosion resistance. Among them, the P(PB5) coating exhibited the best anti‐corrosion performance, with a corrosion current of 5.15 × 10−8 A cm−2, a protection efficiency of 99.23%, and an impedance modulus of 1.78 × 107 Ω cm2 at 0.01 Hz, which was nearly 5 orders of magnitude higher than the impedance modulus of the blank tinplate.
Domain Switching Dynamics in Relaxor PNN–PZT Ceramics With Nano‐Domain Morphology
Authors: Qi Xudong , Bian Lang , Huo Da , Li Kai , Zheng Huashan , Ma Jinpeng , Zheng Limei 
Published: December 2024

AbstractThe dynamic behavior of domain switching and hysteresis characteristics remain critical considerations for ferroelectric materials. Investigations in this area are of substantial importance for the physical understanding and emerging applications of ferroelectrics. This study investigates the domain switching dynamics in Pb(Ni1/3Nb2/3)O3–PbZrO3–PbTiO3 (PNN–PZT) ceramics by comparing domain switching hysteresis behavior of the non‐textured samples to the textured ones. The scaling relations of hysteresis area <A> with respective to electric field E0 and frequency f can be expressed as <A>∝fαE0β. The results indicate that the introduction of templates suppresses domain switching under low electric field and high‐frequency conditions owing to the clamping effect induced by interfacial stresses between templates and the matrix. Furthermore, a relaxation model for polarization reversal and domain switching is employed to clarify the physical mechanism of <A>‐f dependence by considering the domain morphology of the ceramics. The findings suggest that the dispersed nano‐domain morphology within PNN–PZT ceramics results in a flatter relaxation function distribution, thereby enhancing domain switching response concerning f. This study not only provides a deep understanding of domain switching dynamics in ferroelectric materials but also gives important inspiration for the design of ferroelectric ceramics with high performance.
Detecting Archaeological Phenomena Using Deep Learning in the Study of the Old Aerial Images of Historical City of Zuzan
Authors: Azarkhordad Fereshte , Zarajabad Hasan Hashemi , Taghavi Abed , Kherad Mahdi 
Published: December 2024

ABSTRACTDue to saving time and manpower, automatic and semi‐automatic methods can be used to identify and analyse ancient artefacts. Such methods are usually among the studies of neural networks and machine learning systems, which are carried out using remote sensing data and are completely based on spatial information. In the present research, the aim is to detect archaeological phenomena in the landscape of the historical city of Zuzan using convolutional neural network and object detection using the YOLO v8 algorithm, which uses aerial images from the 1960s and 1990s as input data. The most important steps of this method are: training and learning model, image pre‐processing, feature extraction and feature labelling are implemented to provide an automatic pattern recognition system for recognizing archaeological phenomena in an urban landscape. The training data set consists of old aerial images in which features such as the city wall (fence), Citadel and Aqueduct (Qanat) are labelled. The results of CNN training with aerial images of the 60s and 90s and Yolo modelling show the detection of feature such as the aqueduct with 69% accuracy, the city wall with 91% accuracy and the citadel with 100% accuracy.
Variables Influencing Physical Activity for Children With Developmental Disabilities Who Exhibit Problem Behavior
Authors: Livingston Cynthia P. , Schneider Delaney E. , Melanson Isaac J. , Martinez Sarah E. , Anderson Heather , Bryan Samantha J. 
Published: December 2024

ABSTRACTPhysical activity is associated with several health and non‐health‐related benefits for children with and without disabilities. Most children do not meet the Centers for Disease Control and Prevention's recommendation of at least 60 min of moderate‐to‐vigorous physical activity daily. Children with intellectual and developmental disabilities (IDD) are even less likely to meet these standards than their neurotypical peers. Thus, there is a need to identify ways to combat physical inactivity by identifying variables influencing physical activity in this population. The present study assessed the effects of activity contexts (Experiment 1) and social and nonsocial consequences (Experiment 2) on physical activity and problem behavior for children diagnosed with autism spectrum disorder (ASD) who exhibited problem behavior. In both experiments, we identified one or more conditions that effectively increased physical activity relative to a control. Additionally, little to no problem behavior was observed.
Teaching Reciprocal Tacting to Children With Autism
Authors: Koldas Meral , Connolly Sarah , de Oliveira Juliana Sequeira Cesar , Trapp Whitney , Shillingsburg M. Alice 
Published: December 2024

ABSTRACTExpanding tact repertoires in children with autism spectrum disorder (ASD) is often emphasized in early intensive behavioral intervention. While there are empirically validated teaching strategies for increasing tact repertoires in learners with ASD, strategies to support the use of acquired tacts within a shared social experience is an area that is less established. The current study employed a multiple probe design across participants to teach three children with ASD to identify and reciprocally label items as a response to tacts emitted by a social partner (i.e., reciprocal tacting) using discrete trial teaching. Reciprocal tacting with a social partner was observed across participants as a result of the teaching procedure. After training, all participants generalized the skill of tacting in a novel and naturalistic social experience.
Nanoparticle contrast‐enhanced computed tomography and magnetic resonance imaging of vascularization of a subcutaneous niche for islet transplantation
Authors: Capuani Simone , Campa‐Carranza Jocelyn Nikita , Hernandez Nathanael , Menon Renuka T. R. , Bhavane Rohan , Rome Gabrielle E. , Devkota Laxman , Ghaghada Ketan B. , Annapragada Ananth V. , Chua Corrine Ying Xuan , Badachhape Andrew A. , Grattoni Alessandro 
Published: December 2024

AbstractRevascularization plays a critical role in the successful engraftment of transplanted pancreatic islets, which are inherently rich in capillaries to meet their high metabolic demands. Innovative islet encapsulation strategies such as the NICHE (neovascularized implantable cell homing and encapsulation), generate a prevascularized transplantation site that allows for direct integration of the graft with the systemic circulation. Timing the transplantation is key to maximizing islet engraftment and survival, especially in diabetic individuals, who exhibit impaired wound healing. Therefore, in this study, we explored different methods to assess vascular development within NICHE in vivo in a non‐invasive fashion. We effectively tracked neoangiogenesis using nanoparticle contrast‐enhanced computed tomography (nCECT), observing a steady increase in vascularization over an 8‐week period, which was confirmed histologically. Next, we estimated relative vascularization changes via T2 mapping with magnetic resonance imaging (MRI) before and after islet transplantation. On the first day post‐transplantation, we measured a slight decrease in T2 values followed by a significant increase by day 14 attributable to islet revascularization. Our findings underscore the potential of non‐invasive imaging techniques to provide insightful information on the readiness of the transplant site within cell encapsulation systems to support cell graft transplantation.
Burden of Antimicrobial Resistance in Adult Hospitalized Patients With Cancer: A Multicenter Analysis
Authors: Gupta Vikas , Satlin Michael J. , Yu Kalvin , Martei Yehoda M. , Sung Lillian , Westblade Lars F. , Howard Scott C. , Ai ChinEn , Flayhart Diane C. 
Published: December 2024

ABSTRACTBackgroundInfections are a leading cause of death in patients with cancer, but the proportion and rate of antimicrobial resistance (AMR) in hospitalized patients with cancer are not well understood.MethodsThis retrospective, cross‐sectional evaluation of AMR assessed hospitalized adult patients in 168 United States (US) healthcare facilities between April 2018 and December 2022. Nonduplicate, noncontaminant Gram‐negative and Gram‐positive bacteria recovered from various samples (blood, respiratory, urine, etc.) were used to assess the rate of AMR pathogens per 1000 admissions and the proportion of AMR among bacterial isolates in patients with and without cancer.FindingsAmong 4,612,620 admissions, 6.4% (297,500) were of patients with cancer and 93.6% (4,315,120) were of patients without cancer. AMR pathogen rates were higher in cancer patients than patients without cancer for most pathogen groups, including vancomycin‐resistant enterococci with incidence rate ratio (IRR), 1.95 (95% confidence interval [CI], 1.84, 2.07), extended‐spectrum beta‐lactamase (ESBL) producers (IRR, 1.48 [95% CI, 1.43, 1.53]), carbapenem‐nonsusceptible Enterobacterales (IRR, 1.46 [95% CI, 1.32, 1.61]), and multidrug‐resistant Pseudomonas aeruginosa (IRR, 1.31 [95% CI, 1.18, 1.45]). The percentage of nonsusceptible isolates in most pathogen groups was lower in patients with versus without cancer except for ESBL producers among Enterobacterales (odds ratio (OR), 1.11 [95% CI, 1.07, 1.15]) and vancomycin resistance among enterococci (OR, 1.22 [95% CI, 1.14, 1.30]), which were higher in cancer patients.ConclusionAMR rates for certain key pathogens were 1.5–2 times greater in hospitalized cancer patients compared to hospitalized noncancer patients. The increased AMR rate in cancer patients highlights the need for enhanced infection prevention and diagnostic stewardship efforts.
From Stimulus to Response: Understanding the Causes and Outcomes of Consumer Activism
Authors: Narayanan Sajith , Singh Guru Ashish 
Published: December 2024

ABSTRACTConsumers are increasingly taking up activism to modify, or at the very least, penalize a company's contentious behavior. This paper presents a systematic literature review of 404 studies on consumer activism published between 1975 and 2023, applying the extended stimulus‐organism‐response‐outcomes (S‐O‐R‐Om) framework. It investigates the underlying causes and significant outcomes of consumer activism. The results reveal how various factors such as political conditions, human rights violations, environmental degradation, religion, and consumer disregard stimulate internal evaluations of perceptual, physical, emotional, and philosophical activities in people. These evaluations often prompt consumers to respond via boycotts, anti‐brand activism, commodity activism, and even buycotts, all of which have varying consequences for different stakeholders. The findings suggest that consumer activism can serve as a powerful tool for societal change, shaping brand strategies and influencing business practices. These insights underscore the necessity for businesses to align their operations with the evolving values and expectations of their consumer base, emphasizing the critical role of ethics in consumer‐brand relationships. This research contributes to the understanding of modern consumer behavior by providing the Consumer Activism framework, which is based on the S‐O‐R‐Om framework. This comprehensive exploration provides valuable insights into the mechanisms driving consumer activism and its significant implications for brand management and consumer behavior research. The study also identifies key research gaps in existing literature and offers a detailed set of recommendations to guide future research on the evolving dynamics of consumer activism.
OSMAC Investigation Directed by Genome Information Led to the Discovery of Additional Five Types of Secondary Metabolites From Deep‐Sea Derived Penicillium Sp. SCSIO sof101
Authors: Wang Songtao , Chen Ting , Yang Jiafan , Song Yongxiang , Yan Yan 
Published: December 2024

ABSTRACTMarine fungi are considered important resources for new lead compounds in One Strain Many Compounds (OSMAC) strategy. In particular, deep‐sea derived fungi have been deemed potent for novel bioactive structures due to their extreme living environment and evolution of special biosynthetic gene clusters (BGCs) for secondary metabolites. Chemical investigations of the deep‐sea derived Penicillium sp. SCSIO sof101 led to the discovery of 5 types of 21 bioactive compounds, including the significant anti‐Gram‐negative bacterial compound sulfoxanthicillin. Bioinformatics analysis of the strain revealed 56 BGCs for the secondary metabolites. This information guided the further culture optimization, which led to the discovery of another five types of secondary metabolites (1–11), including one non‐ribosomal peptide and polyketide (NRP–PK) type compounds (1–3), which included a new compound (1), one NRP type compounds (4–5), and three PK types compounds (6–11). The structure of compound 1 was elucidated by spectral analyses including HR‐ESI‐MS, 1D and 2D NMR, and chemical derivatization approaches. Compound 1 was inactive in the evaluation of antibacterial activity and cytotoxicity. Its biosynthetic pathway was proposed. This finding paves the way for further mining of OSMAC potent from the deep‐sea derived strain.
Dynamic Synergistic Cooperation in the Pt‐Skin Au‐Core Catalyst During CO Oxidation
Authors: Kumar Aditya , Rajkamal Anand , Chatterjee Abhijit 
Published: December 2024

AbstractWe describe a new type of cooperative phenomenon, which we term as the dynamic synergistic cooperation, that can be found in the Pt‐skin Au‐core catalyst. The phenomenon entails three key aspects, namely, (i) a high catalytic activity at Au‐rich surface sites resulting from synergistic effect, (ii) ultrafast Au or Pt segregation effect driven by the mobile adsorbed species, like CO and O, and (iii) dynamic coupling between these two effects. The nature of the catalyst surface during the catalytic CO oxidation reaction (COR) is investigated using a combination of density functional theory (DFT) and kinetic Monte Carlo (KMC) methods. The Pt‐skin Au (111) surface is shown to be composed of a transient patchwork of surface structures, some of which are Pt‐rich and others Au‐rich. These surface structures submerge/resurface at the subreaction timescales in response to the movement of the adsorbed species, which causes the nature of a catalytic site to change with time. The reaction turnover frequency (ToF) is among the emergent properties resulting from the cooperative phenomenon.
Development and validation of a quantitative PCR assay method to assess relative resistance of winter wheat to dwarf bunt at early growth stages
Authors: Yimer Belayneh A. , Patterson Rachel , Krause Margaret R. , Marshall Juliet 
Published: December 2024

AbstractDwarf bunt, caused by Tilletia controversa, is a major biotic constraint and grain contaminant in winter wheat (Triticum aestivum L.) production. The conventional approach for evaluating dwarf bunt resistance in wheat cannot be conducted until maturity. Hence, there is a need to develop a method to determine host resistance at an earlier growth stage. A quantitative polymerase chain reaction (qPCR) assay was developed for the quantification of T. controversa biomass in wheat plants that correlates fungal DNA (fDNA) content in the host tissue with host resistance. A previously developed pathogen primer–probe set and host primer pairs as well as a new host probe were used in this study. The respective primer–probe sets were specific to T. controversa and wheat, respectively. The qPCR assay amplified as little as 0.05 pg of fDNA. The assay was validated in field evaluations conducted in a dwarf bunt nursery in Logan, UT, using susceptible and resistant wheat varieties. The assay detected fDNA in both susceptible varieties at all growth stages. In the resistant varieties, fDNA was detected in the first leaves of all varieties, but only a single plant of the resistant variety Juniper exhibited fDNA at the third leaf stage. There was no fDNA detection in plants beyond the third leaf in any of the resistant varieties. These results established the proof of concept that the qPCR technique is rapid, highly sensitive, and easily applicable for the evaluation of dwarf bunt resistance in wheat at an earlier growth stage and may significantly reduce the time required to develop resistant varieties compared to the conventional method.
BC204, a citrus‐based plant extract, stimulates plant growth in Arabidopsis thaliana and Solanum lycopersicum through regulation and signaling
Authors: Loubser J. , Le Maitre N. C. , Claassens A. P. , Coetzee B. , Kossmann J. , Hills P. N. 
Published: December 2024

AbstractBC204 is a citrus‐based plant extract applied as a plant biostimulant on a variety of plant species in South Africa, China, and Australia. Although there are reports that it elicits physiological responses such as an increase in crop yield, abiotic and biotic stress tolerance, and fruit quality, no molecular data are available to explain the specific mechanisms underlying these effects. In this study, an RNA sequencing approach was adopted to elucidate the effects of BC204 at the molecular level in Arabidopsis thaliana and Solanum lycopersicum. BC204, applied via either a 0.01% (v/v) soil drench to A. thaliana or a 0.05% (v/v) foliar spray to S. lycopersicum, stimulated above‐ground biomass production whilst eliciting a large change in gene expression levels across several primary and secondary biochemical pathways in shoot tissues. Of the entire transcriptomic profile examined, 8.212% of genes were significantly differentially expressed between the treated and control groups in A. thaliana and 18.059% of genes for S. lycopersicum. Most notably, genes involved in photosynthesis, several aspects of cell wall biogenesis, remodeling and restructuring, carbohydrate metabolism, signaling, stress, and secondary metabolism were upregulated, which could explain the observed increase in plant growth. Little correlation in types of gene and pathway induction was observed between the two model organisms. Genes related to transcription and RNA regulation were both strongly up‐ and downregulated, which suggests that BC204 plays a role in inducing and suppressing several pathways. This novel study provides valuable information to be used as a starting point for targeted future research and identifying new targets for enhanced plant growth and vigor.