bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conjugate Aminocyclization Catalyzed by a Bismuthinidene
Authors: Mato Mauro , Wang Feng , Cornella Josep 
Published: October 2023

AbstractWe disclose how an N,C,N‐bismuthinidene is able to promote an intramolecular conjugate amination that affords cyclic carbamates in 91–97% yields. The reaction proceeds at room temperature in short reaction times, requiring a remarkably low loading of a bismuth(I) complex (0.1 mol%) without the need of an additional Brønsted base. Preliminary mechanistic studies suggest that the reaction takes place through a polar pathway involving the conjugate addition of the nucleophilic bismuthinidene, followed by an intramolecular aza‐Michael reaction.
Balancing Adsorption, Catalysis, and Desorption in Cathode Catalyst For Li–S Batteries
Authors: Zhang Wei , Pan Hui , Han Ning , Feng Shihui , Zhang Xuan , Guo Wei , Tan Pingping , Xie Sijie , Zhou Zhenyu , Ma Qianru , Guo Xiaolong , Vlad Alexandru , Wübbenhorst Michael , Luo Jiangshui , Fransaer Jan 
Published: October 2023

AbstractThe complicated electrochemical catalytic conversion process of polysulfides in metal–sulfur batteries involves three steps: adsorption, catalysis, and desorption process. Even as huge efforts are made for the understanding of the separate steps (especially for the adsorption and catalysis process), research focusing on the entire process is still scarce. Herein, a series of cobalt phosphides (CoP, CoP2, and CoP3) is employed with identical hollow morphology as model electrocatalysts to investigate the significance of the desorption process and discuss the balancing among the adsorption, catalysis, and desorption of lithium polysulfides (LiPSs). The experimental data demonstrate that, compared to CoP and CoP3, CoP2 exhibits moderate adsorption of LiPSs, which enhances the reduction kinetics of S8 to Li2S and regulates the desorption of short‐chain LiPSs. Theoretical calculations further confirm that CoP2 with moderate adsorption of LiPSs exhibits better redox kinetics of LiPSs compared to CoP and CoP3. Moderate adsorption enables the CoP2‐based sulfur cathode to deliver excellent stability with 86% capacity retention (2.6 and 2.0 times higher than CoP and CoP3, respectively) over 1000 cycles at 1 C. All these results indicate that in the adsorption‐catalysis‐desorption chain for LiPSs, all steps need to be considered rather than just focusing on one step of the process.
Surface Cleaning and Passivation Strategy for Durable Inverted Formamidinium–Cesium Triiodide Perovskite Solar Cells
Authors: Wang Jing , Wang Kongxiang , Zhang Chenhui , Liu Siyu , Guan Xiang , Liang Chunjun , Chen Chun‐Chao , Xie Fengxian 
Published: October 2023

AbstractFormamidinium‐cesium triiodide (FAxCs1‐xPbI3) perovskite exhibits excellent phase stability, making it the most promising candidate for commercial perovskite solar cell (PSC) applications, particularly those with inverted structures present a promising contribution to the field of perovskite production. However, this composition often forms small grain sizes and has a large number of defects and PbI2 residues on its surface, which can damage device performance. In this study, a post‐surface engineering strategy called the “clean‐passivation” method is proposed to address the interfacial problem between the perovskite and the electron transport layer (ETL). This method significantly reduces surface and grain boundary defects and eliminates unreacted PbI2, resulting in suppressed iodine decomposition and ion migration during operation. As a result, an excellent power conversion efficiency of 24.27% with superior stability is achieved, as the unencapsulated device maintains 97.12% of its initial efficiency after 1500 h of continuous light soaking. Furthermore, this new surface clean‐passivate strategy can be universally applied to other typical perovskite compositions.
Effect of multi‐tactic weed management on weed suppression and yield in the establishment year of intermediate wheatgrass
Authors: Menalled Uriel D. , Pelzer Christopher J. , DiTommaso Antonio , Ryan Matthew R. 
Published: October 2023

AbstractIntermediate wheatgrass [Thinopyrum intermedium (Host) Barkworth & Dewey] (IWG) is a new perennial grain crop that can be harvested for multiple years. However, IWG grows slower than annual grain crops and is relatively uncompetitive with weeds during its establishment. Using multiple weed management tactics is a foundational principle of ecological weed management that can lead to synergistic interactions between tactics. Red clover intercropping, cultivation, and mowing—applied in isolation and all possible combinations—were assessed in a field experiment conducted at two sites in the northeastern United States. No single tactic or combination of tactics suppressed weeds relative to an untreated control. Likewise, there were no synergistic interactions between weed management tactics, indicating that the multi‐tactic treatments did not reduce weed biomass more than expected from the performance of each single‐tactic treatment in isolation. The lack of weed suppression across treatments likely contributed to their null to negative effect on IWG yield. Additionally, the competition from intercropping and the crop damage from cultivation and mowing may have reduced weed suppression and yield benefits. Although more research is needed to improve weed management in establishment year IWG, the experimental and analytical approach used here provides a framework that can be applied in other systems for evaluating the effects of multi‐tactic weed management and testing for synergistic interactions.
Thin‐film flow technology in controlling the organization of materials and their properties
Authors: Chuah Clarence , Luo Xuan , Tavakoli Javad , Tang Youhong , Raston Colin L. 
Published: October 2023

AbstractCentrifugal and shear forces are produced when solids or liquids rotate. Rotary systems and devices that use these forces, such as dynamic thin‐film flow technology, are evolving continuously, improve material structure‐property relationships at the nanoscale, representing a rapidly thriving and expanding field of research high with green chemistry metrics, consolidated at the inception of science. The vortex fluidic device (VFD) provides many advantages over conventional batch processing, with fluidic waves causing high shear and producing large surface areas for micro‐mixing as well as rapid mass and heat transfer, enabling reactions beyond diffusion control. Combining these abilities allows for a green and innovative approach to altering materials for various research and industry applications by controlling small‐scale flows and regulating molecular and macromolecular chemical reactivity, self‐organization phenomena, and the synthesis of novel materials. This review highlights the aptitude of the VFD as clean technology, with an increase in efficiency for a diversity of top‐down, bottom‐up, and novel material transformations which benefit from effective vortex‐based processing to control material structure‐property relationships.
Toward automatic generation of control structures for process flow diagrams with large language models
Authors: Hirtreiter Edwin , Schulze Balhorn Lukas , Schweidtmann Artur M. 
Published: October 2023

AbstractDeveloping Piping and Instrumentation Diagrams (P&IDs) is a crucial step during process development. We propose a data‐driven method for the prediction of control structures. Our methodology is inspired by end‐to‐end transformer‐based human language translation models. We cast the control structure prediction as a translation task where Process Flow Diagrams (PFDs) without control structures are translated to PFDs with control structures. We represent the topology of PFDs as strings using the SFILES 2.0 notation. We pretrain our model using generated PFDs to learn the grammatical structure. Thereafter, the model is fine‐tuned leveraging transfer learning on real PFDs. The model achieved a top‐5 accuracy of 74.8% on 10,000 generated PFDs and 89.2% on 100,000 generated PFDs. These promising results show great potential for AI‐assisted process engineering. The tests on a dataset of 312 real PFDs indicate the need for a larger PFD dataset for industry applications and hybrid artificial intelligence solutions.
Aging varies greatly within a single genus: A demographic study of Rhododendron spp. in botanic gardens
Authors: Baden H. Maria , Colchero Fernando , Cubey Rob , Dahlgren Johan P. 
Published: October 2023

AbstractPremiseThere is mounting evidence that age matters in plant demography, but also indications that relationships between age and demographic rates may vary significantly among species. Age‐based plant demographic data, however, are time‐consuming to collect and still lacking for most species, and little is known about general patterns across species or what may drive differences.MethodsWe used individual birth and death records for 12 Rhododendron species from botanic gardens and conducted Bayesian survival trajectory analyses to assess how mortality changed with age. We calculated the demographic measures of aging rate, life‐span equality, and life expectancy for each species, and assessed their relationships with the climatic conditions at species’ sites of ancestral origin and with taxonomic group (subgenus).ResultsWe found substantial among‐species variation in survival trajectories, with mortality increasing, decreasing, or remaining constant with advancing age. Moreover, we found no relationships between demographic measures and ancestral climatic conditions but there were statistically significant differences among taxonomic groups in the rate of change in mortality with age (aging rate).ConclusionsWe conclude that demographic consequences of aging can differ qualitatively, even among species in the same genus. In addition, taxonomic trends in aging rates indicate they may be genetically determined, though evolutionary drivers are still unclear. Furthermore, we suggest there is untapped potential in using botanic garden records in future studies on plant life history.
The role of occupation in SARS‐CoV‐2 infection within a Brazilian municipality: A test‐negative case‐control study
Authors: Menezes Fabrício dos Santos , Garcia Leila Posenato , Maeno Maria , Prearo Leandro Campi , Toporcov Tatiana Natasha , Algranti Eduardo 
Published: October 2023

AbstractObjectiveTo investigate the association between occupation and severe acute respiratory syndrome coronavirus 2 (SARS‑CoV‑2) infections within a Brazilian municipality.MethodsIn this test‐negative study, cases and controls were randomly selected among individuals aged 18−65 years that were registered in a primary health care program in São Caetano do Sul, Brazil. Those who had collected samples for RT‐PCR testing between April 2020 and May 2021 were randomly selected to compose the case (positive for SARS‐CoV‐2) and control (negative for SARS‐CoV‐2) groups, frequency‐matched by sex, age group, and month of sample collection. Complementary data were collected through phone interviews. We estimated the residual effect of occupation on SARS‐CoV‐2 infection using multiple conditional logistic regression models incrementally adjusted for confounding variables.Results1724 cases and 1741 controls who reported being at work at the time of RT‐PCR collection were included. Cases were mainly females (52.9%), Whites/Asians (73.3%), and unvaccinated against COVID‐19 (46.6%). Compared to other university‐level professionals, the highest odds of having COVID‐19 were found for workers in police and protective services (odds ratio [OR] 2.21; 95% confidence interval [CI] 1.27−3.84), healthcare and caregiving (OR 1.90; 95% CI 1.34−2.68), and food retail and production (OR 1.88; 95% CI = 1.14−3.11), after adjustment for age, sex, education, means of transport, household crowding, and COVID‐19 vaccination.ConclusionOccupation played an important role in SARS‐CoV‐2 infection. Food retail and production, health care and caregiving, and police and protective services showed the highest odds of SARS‐CoV‐2 infection.
Photoswitchable and Reversible Fluorescent Eutectogels for Conformal Information Encryption
Authors: Li Changchun , Liu Jize , Qiu Xiaoyan , Yang Xin , Huang Xin , Zhang Xinxing 
Published: October 2023

AbstractSmart fluorescent materials that can respond to environmental stimuli are of great importance in the fields of information encryption and anti‐counterfeiting. However, traditional fluorescent materials usually face problems such as lack of tunable fluorescence and insufficient surface‐adaptive adhesion, hindering their practical applications. Herein, inspired by the glowing sucker octopus, we present a novel strategy to fabricate a reversible fluorescent eutectogel with high transparency, adhesive and self‐healing performance for conformal information encryption and anti‐counterfeiting. Using anthracene as luminescent unit, the eutectogel exhibits photoswitchable fluorescence and can therefore be reversibly written/erased with patterns by non‐contact stimulation. Additionally, different from mechanically irreversible adhesion via glue, the eutectogel can adhere to various irregular substrates over a wide temperature range (−20 to 65 °C) and conformally deform more than 1000 times without peeling off. Furthermore, by exploiting surface‐adaptive adhesion, high transparency and good stretchability of the eutectogel, dual encryption can be achieved under UV and stretching conditions to further improve the security level. This study should provide a promising strategy for the future development of advanced intelligent anti‐counterfeiting materials.
Encapsulation of Palladium Carbide Subnanometric Species in Zeolite Boosts Highly Selective Semihydrogenation of Alkynes
Authors: Bai Risheng , He Guangyuan , Li Lin , Zhang Tianjun , Li Junyan , Wang Xingxing , Wang Xiumei , Zou Yongcun , Mei Donghai , Corma Avelino , Yu Jihong 
Published: October 2023

AbstractThe selective hydrogenation of alkynes to alkenes is a crucial step in the synthesis of fine chemicals. However, the widely utilized palladium (Pd)‐based catalysts often suffer from poor selectivity. In this work, we demonstrate a carbonization‐reduction method to create palladium carbide subnanometric species within pure silicate MFI zeolite. The carbon species can modify the electronic and steric characteristics of Pd species by forming the predominant Pd−C4 structure and, meanwhile, facilitate the desorption of alkenes by forming the Si−O−C structure with zeolite framework, as validated by the state‐of‐the‐art characterizations and theoretical calculations. The developed catalyst shows superior performance in the selective hydrogenation of alkynes over mild conditions (298 K, 2 bar H2), with 99 % selectivity to styrene at a complete conversion of phenylacetylene. In contrast, the zeolite‐encapsulated carbon‐free Pd catalyst and the commercial Lindlar catalyst show only 15 % and 14 % selectivity to styrene, respectively, under identical reaction conditions. The zeolite‐confined Pd‐carbide subnanoclusters promise their superior properties in semihydrogenation of alkynes.
Advances in wound dressing based on electrospinning nanofibers
Authors: Zhang Xiaotong , Wang Yanxin , Gao Zhiyuan , Mao Xinhui , Cheng Jiaxuan , Huang Linjun , Tang Jianguo 
Published: October 2023

AbstractIn recent years, there has been a significant focus on bioactive dressings suitable for treating chronic and acute wounds. Electrospinning nanofibers are considered advanced dressing options due to their high porosity and permeability to air and water, effective barrier properties against external pathogens, and excellent resemblance to the extracellular matrix for wound healing and skin regeneration. This article reviews the recent advancements in the application of electrospinning nanofibers for bioactive wound healing. The review begins with an overview of the wound healing process and electrospinning methods. It then explores the advantages and disadvantages of different synthetic and natural polymers used in the preparation of electrospinning wound dressings. The natural polymers discussed in this review include collagen, gelatin, silk fibroin, chitosan, hyaluronic acid, and sodium alginate. Additionally, the review delves into commonly used synthetic polymers like polyvinyl alcohol, polyvinyl chloride, polyethylene lactone, polylactide, and polyurethane for wound dressing applications. Furthermore, the review examines the blending of natural and synthetic polymers to create high‐performance wound dressings. It also explores the incorporation of functional additives, such as antimicrobial agents, growth factors, and natural extracts, into electrospinning nanofibers to expedite wound healing and tissue repair. In conclusion, electrospinning is an emerging technology that provides unique opportunities for designing more effective wound dressings and care products.
Associations Between Rheumatoid Arthritis Clinical Factors and Synovial Cell Types and States
Authors: Weisenfeld Dana , Zhang Fan , Donlin Laura , Jonsson Anna Helena , Apruzzese William , Campbell Debbie ,   Accelerating Medicines Partnership Program: RA/SLE Network, Rao Deepak A. , Wei Kevin , Holers V. Michael , Gravallese Ellen , Moreland Larry , Goodman Susan , Brenner Michael , Raychaudhuri Soumya , Filer Andrew , Anolik Jennifer , Bykerk Vivian , Liao Katherine P. 
Published: October 2023

ObjectiveRecent studies have uncovered diverse cell types and states in the rheumatoid arthritis (RA) synovium; however, limited data exist correlating these findings with patient‐level clinical information. Using the largest cohort to date with clinical and multicell data, we determined associations between RA clinical factors with cell types and states in the RA synovium.MethodsThe Accelerated Medicines Partnership Rheumatoid Arthritis study recruited patients with active RA who were not receiving disease‐modifying antirheumatic drugs (DMARDs) or who had an inadequate response to methotrexate (MTX) or tumor necrosis factor inhibitors. RA clinical factors were systematically collected. Biopsies were performed on an inflamed joint, and tissue were disaggregated and processed with a cellular indexing of transcriptomes and epitopes sequencing pipeline from which the following cell type percentages and cell type abundance phenotypes (CTAPs) were derived: endothelial, fibroblast, and myeloid (EFM); fibroblasts; myeloid; T and B cells; T cells and fibroblasts (TF); and T and myeloid cells. Correlations were measured between RA clinical factors, cell type percentage, and CTAPs.ResultsWe studied 72 patients (mean age 57 years, 75% women, 83% seropositive, mean RA duration 6.6 years, mean Disease Activity Score‐28 C‐reactive Protein 3 [DAS28‐CRP3] score 4.8). Higher DAS28‐CRP3 correlated with a higher T cell percentage (P < 0.01). Those receiving MTX and not a biologic DMARD (bDMARD) had a higher percentage of B cells versus those receiving no DMARDs (P < 0.01). Most of those receiving bDMARDs were categorized as EFM (57%), whereas none were TF. No significant difference was observed across CTAPs for age, sex, RA disease duration, or DAS28‐CRP3.ConclusionIn this comprehensive screen of clinical factors, we observed differential associations between DMARDs and cell phenotypes, suggesting that RA therapies, more than other clinical factors, may impact cell type/state in the synovium and ultimately influence response to subsequent therapies.
Decreased functional concordance in male children with autism spectrum disorder
Authors: Lu Huibin , Wang Sha , Xue Zaifa , Liu Jing , Niu Xiaoxia , Gao Le , Guo Xiaonan 
Published: October 2023

AbstractAutism spectrum disorder (ASD) is an early‐onset neurodevelopmental condition with altered function of the brain. At present, a variety of functional metrics from neuroimaging techniques have been used to explore ASD neurological mechanisms. However, the concordance of these functional metrics in ASD is still unclear. This study used resting‐state functional magnetic resonance imaging data, which were obtained from the open‐access Autism Brain Imaging Data Exchange database, including 105 children with ASD and 102 demographically matched typically developing (TD) children. Both voxel‐wise and volume‐wise functional concordance were calculated by combining the dynamic amplitude of low‐frequency fluctuations, dynamic regional homogeneity, and dynamic global signal correlation. Furthermore, a two‐sample t‐test was performed to compare the functional concordance between ASD and TD groups. Finally, the relationship between voxel‐wise functional concordance and Autism Diagnostic Observation Schedule subscores was analyzed using the multivariate support vector regression in the ASD group. Compared with the TD group, we found that ASD showed decreased voxel‐wise functional concordance in the left superior temporal pole (STGp), right amygdala, and left opercular part of the inferior frontal gyrus (IFGoper). Moreover, decreased functional concordance was associated with restricted and repetitive behaviors in ASD. Our results found altered brain function in the left STGp, right amygdala, and left IFGoper in ASD by functional concordance, indicating that functional concordance may provide new insights into the neurological mechanisms of ASD.
EMEMI: An interference‐free mini‐incubator with integrated electric and magnetic field exposure for real‐time microscopic imaging of field effects
Authors: Alizadeh Farhad , Saviz Mehrdad , Khoraminia Farbod , Talebipour Ali , Imani Rana , Shabani Iman 
Published: October 2023

AbstractUninterrupted microscopic observation and real‐time imaging of cell behavior during exposure to the stimulus, for example, electric and/or magnetic fields, especially for periods of several days, has been a challenge in experimental bioelectromagnetics due to a lack of proper gas/temperature conditions outside the incubator. Conventional mini‐incubators might suffer from stray fields produced by heating elements. We report an in vitro electric and magnetic fields (EMF) exposure system embedded inside a novel under‐the‐microscope mini‐CO2‐incubator with a unique design to avoid electromagnetic interference from the heating and circulation functions while ensuring the requisite temperature. A unique, reconfigurable array of electrodes and/or coils excited by calculated current distributions among array elements is designed to provide excellent field uniformity and controllable linear or circular polarization (even at very low frequencies) of the EMF within the cell culture. Using standard biochemical assays, long‐term cell viability has been verified and compared with a conventional incubator. Cell orientation/migration in three‐dimensional culture made of collagen‐hydrogels has been successfully observed in vitro, in long‐term, and in real‐time under the influence of DC electric fields with the device.
Recent advancements in bionanomaterial applications of peptide nucleic acid assemblies
Authors: Sarkar Srijani 
Published: October 2023

AbstractPeptide nucleic acid (PNA) is a unique combination of peptides and nucleic acids. PNA can exhibit hydrogen bonding interactions with complementary nucleobases like DNA/RNA. Also, its polyamide backbone allows easy incorporation of biomolecules like peptides and proteins to build hybrid molecular constructs. Because of chimeric structural properties, PNA has lots of potential to build diverse nanostructures. However, progress in the PNA material field is still immature compared with its massive applications in antisense oligonucleotide research. Examples of well‐defined molecular assemblies have been reported with PNA amphiphiles, self‐assembling guanine‐PNA monomers/dimers, and PNA‐decorated nucleic acids/ polymers/ peptides. All these works indicate the great potential of PNA to be used as bionanomaterials. The review summarizes the recent reports on PNA‐based nanostructures and their versatile applications. Additionally, this review shares a perspective to promote a better understanding of controlling molecular assembly by the systematic structural modifications of PNA monomers.