bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interfacial insight of core@double‐shell Mo@MoO3@PS/PVDF composites towards prominently meliorative dielectric performances
Authors: Wang Fang , Zhou Wenying , Chen Xiaolong , Kong Fanrong , Lin Shuangquan , Yang Yating , Cai Jiangtao , Cai Huiwu 
Published: July 2023

AbstractPolymer dielectrics with synergistically large dielectric permittivity (ε') and breakdown strength (Eb) but prohibited loss is of crucial applications in the electronic devices and power equipment. In this study, we aim to elevate the integrated dielectric performances of molybdenum (Mo)/polyvinylidene fluoride (PVDF) by constructing a semiconducting molybdenum oxide (MoO3) shell and insulating polystyrene (PS) shell on the Mo surface through high‐temperature oxidation followed by suspension polymerization. The resulting core@double‐shell Mo@MoO3@PS particles were compounded with PVDF to achieve high ε' and Eb while minimizing the loss. The results reveal that the Mo@MoO3@PS/PVDF composites indicate simultaneously ameliorative ε' and Eb along with restrained loss owing to the existence of the MoO3@PS double‐shell, which not only prominently enhances the interfacial compatibility and interactions between fillers and PVDF, but significantly inhibits the conductivity and loss through impeding the long‐distance motion of carrier charges. The dielectric capabilities could be improved by adjusting the thickness of the PS interlayer. The Havriliak‐Negami equation was used to fit the experimental results, which showed the impact of the PS shell on the polarization mechanism and how it inhibits carrier migration. The Mo@MoO3@PS/PVDF with high ε' and Eb yet exceptionally low loss exhibit potential applications in microelectronics and electrical industries.
Inert Transition Metal Ion Complexes in Organic Synthesis: Protection and Activation
Authors: Donnelly Paul S. , Harrowfield Jack M. , Koutsantonis George A. , Lengkeek Nigel A. , Ling Irene , Nealon Gareth L. , McInnes Lachlan E. , Skelton Brian W. , Sobolev Alexandre N. , White Allan H. , White Jonathan M. 
Published: July 2023

AbstractSingle‐crystal X‐ray diffraction studies for a variety of metal ion complexes of functionalised sarcophagines (sarcophagine=sar=3,6,10,13,16,19‐hexa‐azabicyclo[6.6.6]icosane) have further confirmed not only that the form of the metal ion/sar unit is unique for each metal, albeit with a sensitivity of the conformation to the associated counter anions, but also that for any given metal and ligand substituent, the dimensions (bond lengths and angles) of the complex and the substituent at the secondary nitrogen centres do not differ significantly from those of the isolated components. Despite this, where the substituent contains reactive sites, the reactivity differs markedly from that of their form in an uncoordinated substrate. Rationalisations are offered for these differences, in part through the use of Hirshfeld surface analysis of the intermolecular interactions. The kinetic inertness of the complexes means that the metal ions can be considered to act as regioselective protecting groups.
Robust nonlinear MPC without terminal constraint for tracking changing setpoints in the presence of non‐additive unknown disturbance
Authors: Zamani Abbas , Bolandi Hossein 
Published: July 2023

AbstractThis paper develops a novel robust tracking model predictive control (MPC) without terminal constraint for discrete‐time nonlinear systems capable to deal with changing setpoints and unknown non‐additive bounded disturbances. The MPC scheme without terminal constraint avoids difficult computations for the terminal region and is thus simpler to design and implement. However, the existence of disturbances and/or sudden changes in a setpoint may lead to feasibility and stability issues in this method. In contrast to previous works that considered changing setpoints and/or additive slowly varying disturbance, the proposed method is able to deal with changing setpoints and non‐additive non‐slowly varying disturbance. The key idea is the addition of tightened input and state (tracking error) constraints as new constraints to the tracking MPC scheme without terminal constraints based on artificial references. In the proposed method, the optimal tracking error converges asymptotically to the invariant set for tracking, and the perturbed system tracking error remains in a variable size tube around the optimal tracking error. Closed‐loop input‐to‐state stability and recursive feasibility of the optimization problem for any piece‐wise constant setpoint and non‐additive disturbance are guaranteed by tightening input and state constraints as well as weighting the terminal cost function by an appropriate stabilizing weighting factor. The simulation results of the satellite attitude control system are provided to demonstrate the efficiency of the proposed predictive controller.
Sensitivity analysis and adaptive mutation strategy differential evolution algorithm for optimizing enzymes' turnover numbers in metabolic models
Authors: Fan Xingcun , Cao Lingfeng , Yan Xuefeng 
Published: July 2023

AbstractGenome‐scale metabolic network model (GSMM) based on enzyme constraints greatly improves general metabolic models. The turnover number () of enzymes is used as a parameter to limit the reaction when extending GSMM. Therefore, turnover number plays a crucial role in the prediction accuracy of cell metabolism. In this work, we proposed an enzyme‐constrained GSMM parameter optimization method. First, sensitivity analysis of the parameters was carried out to select the parameters with the greatest influence on predicting the specific growth rate. Then, differential evolution (DE) algorithm with adaptive mutation strategy was adopted to optimize the parameters. This algorithm can dynamically select five different mutation strategies. Finally, the specific growth rate prediction, flux variability, and phase plane of the optimized model were analyzed to further evaluate the model. The enzyme‐constrained GSMM of Saccharomyces cerevisiae, ecYeast8.3.4, was optimized. Results of the sensitivity analysis showed that the optimization variables can be divided into three groups based on sensitivity: most sensitive (149 c), highly sensitive (1759 ), and nonsensitive (2502 ) groups. Six optimization strategies were developed based on the results of the sensitivity analysis. The results showed that the DE with adaptive mutation strategy can indeed improve the model by optimizing highly sensitive parameters. Retaining all parameters and optimizing the highly sensitive parameters are the recommended optimization strategy.
Characteristics of dough prepared with coconut oil
Authors: Nemoto Kaho , Kobayashi Fumiyuki , Odake Sachiko 
Published: July 2023

AbstractBackground and objectivesThis study investigated the use of coconut oil as an alternative to butter and shortening in bread making by analyzing the dough characteristics for feasibility.FindingsIn the fermentation test, the pH of the dough containing oils and fats was reduced to <5.1 of the threshold, which deteriorated the extensibility. The pH further decreased with an increased CO2 emission rate from the dough. In the compression test, the stress of the dough containing oils and fats was lower than that without it. However, the stress on gluten‐containing oils and fats was significantly high and differed based on the type of oils and fats. A large network structure of gluten with distributed starch granules was observed using scanning electron microscopy in the dough containing oils and fats. Numerous starch granules were uniformly distributed in the spaces of the gluten network structure, making the dough softer.ConclusionsIt was recognized that the characteristics of the dough containing coconut oil were similar to that of the dough containing butter or shortening.Significance and noveltyThis study suggested that coconut oil can be used as an alternative oil and fat to butter or shortening for bread making.
Corn and soybean planting order decisions impact farm gross revenue
Authors: Mourtzinis Spyridon , Conley Shawn P. 
Published: July 2023

AbstractThe inter‐annual corn (Zea mays L.)–soybean [Glycine max (L.) Merr.] rotation field is a well‐known management practice that increases the yield of both crops across the midwestern United States. Each spring, farmers must decide which crop will be planted first. Prioritizing the planting of one crop can delay planting of the other, which can result in substantial yield loss and reduced associated revenue. The objective of this work was to assess how gross farm revenue (corn + soybean acres) can be affected by crop planting order (corn first, soybean second, and vice versa). The impact of variable planting dates on the yield of each crop was simulated for 310 fields across the United States. Gross farm revenue was estimated as a function of crop planting date, order, input costs and crop prices. In a randomly chosen field in south central Wisconsin, 1 out of the 310, delaying planting after May 1 reduced yield of each crop and subsequently suppressed gross farm revenue. Crop planting order determined farm revenue due to a variable loss in per day yield rate within the nominal planting timeframe associated with the two crops. In addition, the degree to which management intensified for each crop relative to crop yield potential accruing with earlier planting varied by state and further impacted farm revenue. Overall results suggest that to determine planting order, US farmers need to be aware of the comparative yield trends associated with delayed planting of corn vs. soybean for their specific farms and cropping systems and should also account for projected crop selling prices.
Barrier‐forming, drug‐free nasal spray reduces allergic symptoms induced by house dust mite allergen
Authors: Couroux Patricia , Grosse Nicole , Salapatek Anne Marie , Goyal Yasmeen , Pfaar Oliver , Hohenfeld Ilja P. 
Published: July 2023

AbstractBackgroundHouse Dust Mite (HDM) is the most common indoor allergen triggering allergic symptoms. First‐line pharmacotherapy treatment is recommended in international guidelines, while the avoidance of allergens represents a still unmet guideline principle. AM‐301 is a new non‐pharmacological nasal spray that creates a protective gel‐like barrier on the nasal mucosa, preventing the contact with the allergens.MethodsThis randomized, open‐label, 3‐period crossover study assessed the efficacy and safety of AM‐301. The objective was to determine whether AM‐301 reduces allergic rhinitis (AR) symptoms in patients exposed to HDM allergens. Adults with confirmed Perennial Allergic Rhinitis (PAR; n = 37) were exposed to HDM allergen in a controlled Allergen Exposure Chamber before and during a treatment course of AM‐301 (in six different sequences) within 3 weeks (A: One spray AM‐301 per nostril/B: Two sprays AM‐301 per nostril/C: no treatment). For the primary efficacy analysis, data from the total nasal symptom score (TNSS) were pooled from treatment A + B (D) and analyzed with Analysis of Covariance Model. As secondary endpoints, single time points, visits and symptoms were analyzed.ResultsThe primary endpoint (overall change in TNSS from baseline over all three visits) showed significant results (p = 0.0085). A comparable alleviation of all four symptoms (itchy nose, nasal congestion, runny nose, sneezing) by the protective layer started to emerge after 40 min and lasted up to 180 min (end of challenge). AM‐301 resulted to be safe and well‐tolerated.ConclusionAM‐301 significantly reduced HDM‐related allergic symptoms in a standardized allergen challenge. Protection was observed to last up to 180 min.
Promoting lung cancer screening of high‐risk patients by primary care providers
Authors: Colamonici Marco , Khouzam Nader , Dell Catherine , Auge‐Bronersky Kristin , Pacheco Esther , Rubinstein Israel , Recht Bradley 
Published: July 2023

AbstractBackgroundLung cancer screening (LCS) with low‐dose computed tomography (LDCT) of the chest of eligible patients remains low. Accordingly, augmentation of appropriate LCS referrals by primary care providers (PCPs) was sought.MethodsThe quality improvement (QI) project was performed between April 2021 and June 2022. It incorporated patient education, shared decision‐making (SDM) with PCPs, and tracking of initial LDCT completion. In each case, lag time (LT) to LCS and pack‐years (PYs) were calculated from initial LCS eligibility. The cohort’s scores were compared to national scores. Patient zip codes were used to create a geographic map of our cohort for comparison with public health data.ResultsAn immediate and sustained increase in weekly LCS referrals from PCPs was recorded. Of 337 initial referrals, 95% were men, consisting of 66.2% Black, 28.4% White, and 5.4% other. Mean PY was less for minorities (45.3 vs. 37.3 years; p = .0002) but mean LT was greater for Whites (7.9 vs. 6.2 years; p = .03). Twenty‐five percent of veterans failed to report to their scheduled screening, and two declined referrals. Notably, most no‐show patients lived in transit deserts. Furthermore, Lung‐RADS scores 4B/4X were more than double the expected prevalence (p = .008).ConclusionsThe PCPs in this study successfully augmented LCS referrals. A substantial proportion of these patients were no‐shows, and our data suggest complex racial and socioeconomic factors as contributing variables. In addition, a higher‐than‐expected number of initial Lung‐RADS scores 4B/4X were reported. A large, multisite QI project is warranted to address overcoming potential transportation barriers in high‐risk patient populations.
Clinic choice of long or short segment pedicle screw‐rod fixation in the treatment of thoracolumbar burst fracture: From scan data to numerical study
Authors: Xu Jiangping , Yin Zhijun , Li Yang , Xie Yanqiu , Hou Jiangping 
Published: July 2023

AbstractBased on computerized tomography scanning images of human lumbar vertebrae, finite element (FE) analysis is performed to predict the stress of pedicle screws, rods, and fractured vertebra as well as the displacement of fractured vertebra after internal fixation treatment of thoracolumbar burst fracture. A three‐dimensional FE model of L1–L5 lumbar vertebrae with L3 burst fracture has been established and four fixation methods, namely, short segment cross‐ and trans‐injured vertebrae, long segment cross‐ and trans‐injured vertebrae fixations, have been adopted to perform posterior pedicle fixation. The stress distributions of the screws, rods, and fractured vertebra and the total deformation of the fractured vertebra are investigated under six different physiological motions. From the view of the stress on the screw‐rod system and the deformation of the fractured vertebral body, the long segment cross‐injured vertebra fixation has the best mechanical performance, followed by the long segment trans‐injured vertebra fixation, and then the short segment fixation trans‐injured vertebra. The short segment fixation cross‐injured vertebra performs the worst. Among the six motions, the forward flexion movement has the greatest impact on the screw‐rod system and the fractured vertebra. However, the rotation motion greatly affects the stress of the screw in the long segment fixation. This indicates that the longer the fixed segment is, the more susceptible it is to human rotation. Thus, for patients with severe fracture, the long segment cross‐injured vertebra is preferred. On the contrary, the short segment trans‐injured vertebra fixation is optimal.
Single‐step Production of Photocatalytic Surfaces via Direct Laser Interference Patterning of Titanium
Authors: Fox Tobias , Maria Delfino Pablo , Cortés Francisco , Pauly Christoph , Wyn Müller Daniel , Briesenick Max , Kickelbick Guido , Mücklich Frank 
Published: July 2023

AbstractState of the art approaches to produce photocatalytic surfaces generally require multiple processing steps to achieve highly active surfaces. Following recent trends to facilitate the production of active surfaces, this work presents a single‐step method to create porous photocatalytic surfaces via direct laser interference patterning (DLIP) of a titanium substrate with pulses in the picosecond range. The resulting surfaces contain a variety of titanium oxides while both their composition and morphology can be controlled through the laser process parameters. This makes it possible to tailor these surfaces for specific applications such as antimicrobial surfaces, implant materials or water treatment. Surface characterization was executed by applying scanning electron microscopy complemented by focused ion beam cross‐sectioning and energy dispersive X‐ray spectroscopy as well as gracing incidence X‐ray diffractometry. The photocatalytic activity achieved by different laser parameters is assessed by methylene blue degradation under UV‐A light. As DLIP is already established in industrial applications, this approach could greatly facilitate the use of photocatalytic surfaces for water treatment or medical applications, as it does not require nanoparticle synthesis or additional coating steps.
High‐level ab initio evidence of bipyramidal Cu5 clusters as fluxional Jahn‐Teller molecules
Authors: Mitrushchenkov Alexander O. , Pilar de Lara‐Castells María 
Published: July 2023

AbstractNovel highly selective synthesis techniques have enable the production of atomically precise monodisperse metal clusters (AMCs) of subnanometer size. These AMCs exhibit ‘molecule‐like’ structures that have distinct physical and chemical properties, significantly different from those of nanoparticles and bulk material. In this work, we study copper pentamer Cu5 clusters as model AMCs by applying both density functional theory (DFT) and high‐level (wave‐function‐based) ab initio methods, including those which are capable of accounting for the multi‐state multi‐reference character of the wavefunction at the conical intersection (CI) between different electronic states and augmenting the electronic basis set till achieving well‐converged energy values and structures. After assessing the accuracy of a high‐level multi‐multireference ab initio protocol for the well‐known Cu3 case, we apply it to demonstrate that bypiramidal Cu5 clusters are distorted Jahn‐Teller (JT) molecules. The method is further used to evaluate the accuracy of single‐reference approaches, finding that the coupled cluster singles and doubles and perturbative triples CCSD(T) method delivers the results closer to our ab initio predictions and that dispersion‐corrected DFT can outperform the CCSD method. Finally, we discuss how JT effects and, more generally, conical intersections, are intimately connected to the fluxionality of AMCs, giving them a ‘floppy’ character that ultimately facilitates their interaction with environmental molecules and thus enhances their functioning as catalysts.
Polydopamine‐Derived Carbon Catalysts with Optimized Structure‐Activity Design towards Electrochemical CO2 Reduction to CO
Authors: Liang Chenglu , Ye Nini , Li Weiyi , Dai Xiangrui , Huang Yuanpeng , Chen Jinxiang , Liu Yang 
Published: July 2023

AbstractElectrochemical reduction of CO2 into chemical feedstocks has been regarded as an attractive way to reconstruct the carbon cycle. In this work, nitrogen‐doped carbon was prepared by high temperature pyrolysis using polydopamine (PDA) microspheres as precursors. The effects of doped nitrogen units, surface hydrophilicity and pore structures of the N‐Carbon catalysts on the CO2 reduction reaction (CO2RR) activities were systematically investigated. It was demonstrated that the competition between the hydrogen evolution reaction (HER) and the CO2RR under reduction potentials was modified by the nature of surface hydrophilicity/hydrophobicity and the doped nitrogen units. The CO2RR activities were further optimized via the pore structures regulation. Results showed that pore structure with size below 1 nm was favorable for CO2RR and the developed N‐Carbon catalysts with optimized nitrogen units, hydrophilicity, and pore structure achieved a high CO2 to CO Faradaic efficiency of 95 % in the H‐cell.
Effect of vitamin D deficiency on postorthodontic relapse: An animal study
Authors: Khamees Asmaa M. , Al Groosh Dheaa H. 
Published: July 2023

AbstractObjectivesThis study aims to evaluate the effect of vitamin D deficiency (VDD) on orthodontic tooth movement (OTM), retention, and relapse and to assess the effect of systemic administration of vitamin D (VD) in a rat model.Materials and MethodsA total of 32 male Wistar rats were divided into two groups, a control group of 11 rats and an experimental group of 21 rats with VDD, after enhancement using a custom diet. Of the VDD group, 11 rats were supplemented with systemic vitamin D3 and categorized as vitamin (VD supplement [VDS]) groups. The VDS group received 40,000 IU/kg via intramuscular injection on Days 1 and 15 of the orthodontic treatment period. A modified orthodontic appliance was fitted to apply 0.5 N of force to move the maxillary right first molars mesially for 14 days, followed by retention and relapse periods for 7 days. Space created during OTM was measured and reassessed after the retention and relapse periods. The relapse ratio was estimated, and histomorphometric analysis was performed to assess the number of osteoblasts, osteoclast bone cells, and bone area.ResultsA significant increase in the relapse ratio and a reduction in osteoblast cells and bone area were observed in the VDD group. By contrast, the amount of tooth movement was significantly higher together with osteoblast cells and bone marrow in VDS with a significant reduction in relapse ratio.ConclusionVDD was associated with a significant reduction in osteoblast cell count and total bone area in addition to a significant increase in relapse ratio. Routine screening of VD may be beneficial before commencing orthodontic treatment.
The effects of abnormal visual experience on neurodevelopmental disorders
Authors: Fakheir Yara , Khalil Reem 
Published: July 2023

AbstractNormal visual development is supported by intrinsic neurobiological mechanisms and by appropriate stimulation from the environment, both of which facilitate the maturation of visual functions. However, an offset of this balance can give rise to visual disorders. Therefore, understanding the factors that support normal vision during development and in the mature brain is important, as vision guides movement, enables social interaction, and allows children to recognize and understand their environment. In this paper, we review fundamental mechanisms that support the maturation of visual functions and discuss and draw links between the perceptual and neurobiological impairments in autism spectrum disorder (ASD) and schizophrenia. We aim to explore how this is evident in the case of ASD, and how perceptual and neurobiological deficits further degrade social ability. Furthermore, we describe the altered perceptual experience of those with schizophrenia and evaluate theories of the underlying neural deficits that alter perception.