bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fluoromethylketone‐Fragment Conjugates Designed as Covalent Modifiers of EcDsbA are Atypical Substrates
Authors: Doak Bradley C. , Whitehouse Rebecca L. , Rimmer Kieran , Williams Martin , Heras Begoña , Caria Sofia , Ilyichova Olga , Vazirani Mansha , Mohanty Biswaranjan , Harper Jason B. , Scanlon Martin J. , Simpson Jamie S. 
Published: May 2024

AbstractDisulfide bond protein A (DsbA) is an oxidoreductase enzyme that catalyzes the formation of disulfide bonds in Gram‐negative bacteria. In Escherichia coli, DsbA (EcDsbA) is essential for bacterial virulence, thus inhibitors have the potential to act as antivirulence agents. A fragment‐based screen was conducted against EcDsbA and herein we describe the development of a series of compounds based on a phenylthiophene hit identified from the screen. A novel thiol reactive and “clickable” ethynylfluoromethylketone was designed for reaction with azide‐functionalized fragments to enable rapid and versatile attachment to a range of fragments. The resulting fluoromethylketone conjugates showed selectivity for reaction with the active site thiol of EcDsbA, however unexpectedly, turnover of the covalent adduct was observed. A mechanism for this turnover was investigated and proposed which may have wider ramifications for covalent reactions with dithiol‐disulfide oxidoreducatases.
Deuterated Alkyl Sulfonium Salt Reagents; Importance of H/D Exchange Methods in Drug Discovery
Authors: Ogasahara Riku , Ban Kazuho , Mae Miyu , Akai Shuji , Sawama Yoshinari 
Published: May 2024

AbstractDeuterated drugs (heavy drugs) have recently been spotlighted as a new modality for small‐molecule drugs because the pharmacokinetics of pharmaceutical drugs can be enhanced by replacing C−H bonds with more stable C−D bonds at metabolic positions. Therefore, deuteration methods for drug candidates are a hot topic in medicinal chemistry. Among them, the H/D exchange reaction (direct transformation of C−H bonds to C−D bonds) is a useful and straightforward method for creating novel deuterated target molecules, and over 20 reviews on the synthetic methods related to H/D exchange reactions have been published in recent years. Although various deuterated drug candidates undergo clinical trials, approved deuterated drugs possess CD3 groups in the same molecule. However, less diversification, except for the CD3 group, is a problem for future medicinal chemistry. Recently, we developed various deuterated alkyl (dn‐alkyl) sulfonium salts based on the H/D exchange reaction of the corresponding hydrogen form using D2O as an inexpensive deuterium source to introduce CD3, CH3CD2, and ArCH2CD2 groups into drug candidates. This concept summarises recent reviews related to H/D exchange reactions and novel reagents that introduce the CD3 group, and our newly developed electrophilic dn‐alkyl reagents are discussed.
A capacitor voltage ripple suppression method employing bidirectional‐switching channel for the MMC driven pumped storage system operating at low‐speed stage
Authors: Yao Fei , Chen Enze , Zhang Jie 
Published: May 2024

SummaryThe Modular Multilevel Converter (MMC) has gained the widespread application in the DC power transmission, owing to the advantages such as modularity and low output current harmonic content. However, its adoption in variable‐speed pumped storage systems remains limited due to the significant voltage fluctuations in its sub‐module capacitors during the low‐speed operation. In this paper, a capacitor voltage ripple suppression method employing bidirectional‐switching channel is proposed. It aims to improve the driving performance of MMC when the variable‐speed pumped storage motor operates at low speed. The proposed method creates bidirectional‐switching channels between the sub‐modules of the upper and lower bridge arms and moves the sub‐module capacitors that originally fixed to the upper and lower bridge arms into the channels. By controlling the bidirectional‐switching channel, the same capacitor can be put into the sub‐modules of different bridge arms. At the same time, a threshold switching control method is proposed to reduce the switching loss. Without introducing the common mode voltage, the capacitor voltage fluctuation can be substantially suppressed when the pumped storage motor operates at low speed. Experimental and simulation results verify the effectiveness of the proposed method.
Study on the variation of the permeability coefficient of soil–rock mixtures in fault zones under different stress states
Authors: Tan Wenhui , Liang Shuang , Ma Xuewen , Wang Pengfei 
Published: May 2024

AbstractAs the first gold mine discovered at the sea in China and the only coastal gold mine currently mined there, Sanshandao Gold Mine faces unique challenges. The mine's safety is under continual threat from its faulted structure coupled with the overlying water. As the mining proceeds deeper, the risk of water inrush increases. The mine's maximum water yield reaches 15 000 m3/day, which is attributable to water channels present in fault zones. Predominantly composed of soil–rock mixtures (SRM), these fault zones' seepage characteristics significantly impact water inrush risk. Consequently, investigating the seepage characteristics of SRM is of paramount importance. However, the existing literature mostly concentrates on a single stress state. Therefore, this study examined the characteristics of the permeability coefficient under three distinct stress states: osmotic, osmotic–uniaxial, and osmotic–triaxial pressure. The SRM samples utilized in this study were extracted from in situ fault zones and then reshaped in the laboratory. In addition, the micromechanical properties of the SRM samples were analyzed using computed tomography scanning. The findings reveal that the permeability coefficient is the highest under osmotic pressure and lowest under osmotic–triaxial pressure. The sensitivity coefficient shows a higher value when the rock block percentage ranges between 30% and 40%, but it falls below 1.0 when this percentage exceeds 50% under no confining pressure. Notably, rock block percentages of 40% and 60% represent the two peak points of the sensitivity coefficient under osmotic–triaxial pressure. However, SRM samples with a 40% rock block percentage consistently show the lowest permeability coefficient under all stress states. This study establishes that a power function can model the relationship between the permeability coefficient and osmotic pressure, while its relationship with axial pressure can be described using an exponential function. These insights are invaluable for developing water inrush prevention and control strategies in mining environments.
Substantial variation of the two‐dimensional spectrum of senescent leaf in subalpine forest along elevational gradients
Authors: Long Chunyan , Chang Kaikui , Guan Na , Cheng Xiaoli 
Published: May 2024

AbstractLeaf senescence have shed light on its contribution to the recovery of nutrients and signaling of the transition from the active to the dormant stage in winter. The manner by which climatic and edaphic factors and plant phylogeny affect the senescent leaf economics spectrum (more mineral elements included) of different growth habits along elevational gradients in mountain ecosystems is highly uncertain. To fill this knowledge gap, we examined 15 representative subalpine forest species' senescent leaf functional traits (i.e., specific leaf area [SLA], leaf dry matter content [DMC], pH, carbon [C], nitrogen [N], phosphorus [P], potassium [K], calcium [Ca], sodium [Na], magnesium [Mg], manganese [Mn], aluminum [Al], iron [Fe], C:N, N:P, and C:P ratios) to determine the senescent leaf economics spectrum along elevational gradients in the Hengduan Mountains, China. Our results demonstrate that all the functional traits of senescent leaf showed strong correlations with one another, and K was observed as the hub for the leaf economics spectrum. Irrespective of the difference among growth habits (arbor vs. shrub), leaf habits (deciduous vs. evergreen), and leaf types (broad vs. needle), the variations in the two‐dimensional spectrum of the senescent leaf trait exhibited uniformly positive associations with elevation, primarily attributed to climatic drivers. However, the modulation of the senescent leaf economics spectrum by soil properties and plant phylogeny was surprisingly modest. Collectively, our results revealed that the resource trade‐off of senescent leaf showed a trend from acquisition to conservation along elevational gradients, which could broaden the plant economics spectrum to include senescent leaf.
Electrochemical determination of ibuprofen by batch‐injection analysis using a BORON‐doped ultrananocrystalline diamond electrode
Authors: Carolyne Prete Maiyara , Rianne da Rocha Luana , Gava Segatelli Mariana , Antigo Medeiros Roberta , Swain Greg M , Tarley César Ricardo Teixeira 
Published: May 2024

AbstractIn this paper, the evaluation of a boron‐doped ultrananocrystalline diamond (BD‐UNCD) electrode for the determination of ibuprofen (IBU) in pharmaceutical formulations using batch‐injection analysis with amperometric detection (BIA‐AD) is presented. The BD‐UNCD electrode was characterized by Raman spectroscopy and the electrochemical measurements were carried out before and after anodic pretreatment. An improved electrochemical response for IBU oxidation was observed using BD‐UNCD as compared to commercial boron‐doped diamond electrode. The optimized method based on the BIA‐AD system was carried out by using 2.0 V as the detection potential, a dispensing rate of 211.9 μL s−1, and an injection volume of 40 μL in an electrochemical cell containing 30.0 mL of 1.0 mol L−1 HClO4 as the supporting electrolyte. The proposed method provided an analytical curve within a linear dynamic range from 1.84 to 20.0 μmol L−1 (R2=0.9967) and a limit of detection of 0.55 μmol L−1. The intra‐day (n=10) and inter‐day (n=2) precisions for IBU concentrations of 5.0 and 10.0 μmol L−1 assessed as relative standard deviation (%RSD) ranged from 2.65 to 5.84 %. The accuracy of the method was assessed through the determination of IBU in pharmaceutical samples (tablets and solutions), yielding results that were consistent with those obtained through the comparative method (HPLC‐DAD).
A carbon price ensemble prediction model based on secondary decomposition strategies and bidirectional long short‐term memory neural network by an improved particle swarm optimization
Authors: Zou Shaohui , Zhang Jing 
Published: May 2024

AbstractTo further enhance the precision of carbon trading price forecasting, this research proposes a combined forecasting model, CEEMDAN–VMD–IPSO–BiLSTM, considering the unsatisfactory high‐frequency sequence decomposition and the reliance on unidirectional neural networks in current carbon price‐prediction models. First of all, the original sequence of carbon prices is decomposed into multiple independent subsequences through the completely ensemble empirical mode decomposition with adaptive noise (CEEMDAN) technique. The sample entropy values of each subsequence are calculated to reconstruct them as high‐frequency, low‐frequency, and trend sequences. Second, we employ the variational mode decomposition (VMD) approach to decompose the high‐frequency series. The obtained subsequences, along with the low‐frequency and trend sequences, are separately input into an improved particle swarm optimization (IPSO) optimized bidirectional long short‐term memory neural network (BiLSTM) model for forecasting. Finally, an IPSO–BiLSTM model is used to integrate the forecasting outcomes from the previous step, yielding the ultimate results for predicting carbon prices. The case studies reveal that compared with the benchmark model, this model exhibits superior predictive precision and universality. It offers theoretical support for optimizing carbon market operations and fostering low‐carbon economic growth, holding practical importance.
Performance study on mixed solvent for post‐combustion carbon capture using rotating packed bed technology
Authors: Joel Atuman Samaila , Aliyu Umar Farouk , Olubajo Olumide Olu , Isa Yusuf Makarfi 
Published: May 2024

AbstractModeling of CO2 removal in a rotating packed bed using a mixed amine solution of piperazine and methyldiethanolamine with various molar concentration ratios was done with Aspen Plus® and dynamically linked with Intel® Visual Fortran. In addition to the mass and energy balances, all the necessary correlations for the rotating packed bed were written in Intel® Visual Fortran. The developed model was validated, and the result showed good agreement with a percentage error of less than 10%. The model was scaled‐up to absorb CO2 from the flue gas composition of a typical 6.4 MWe biomass power plant with the goal of producing net negative CO2 emissions. The effect of process parameters such as temperature, rotation speed, liquid‐gas ratio, methyl diethanolamine concentration, and piperazine concentration on capture efficiency and regeneration energy was investigated. It was discovered that increasing the rotational speed results in an improvement in the separation efficiency. Increasing the temperature of the lean solvent causes a decrease in separation efficiency, which is due to a decrease in solubility as the temperature increases. Increasing the liquid‐to‐gas ratio leads to an increase in CO2 absorption efficiency because more hydroxide ions are present to react with the CO2. Piperazine is a reactive compound and increasing its concentration in the mixed solvent leads to an increase in CO2 absorption efficiency. Finally, the results of the study demonstrated that a solvent mixture consisting of piperazine and methyldiethanolamine has the potential to be utilized in post‐combustion CO2 capture using rotating packed bed technology. © 2024 Society of Chemical Industry and John Wiley & Sons, Ltd.
Do physicians' attitudes toward prioritization predict poor‐health patients' access to care?
Authors: Oxholm Anne Sophie , Gyrd‐Hansen Dorte 
Published: May 2024

AbstractPhysicians often face tight resource constraints, meaning they have to make trade‐offs between which patients they care for and the amount of care received. Studies show that patients requiring many resources disproportionately suffer a loss of care when resources are constrained. This study uncovers whether physicians' attitudes toward prioritization of healthcare predicts poor‐health patients' access to care. We combine unique survey data on Danish GPs' preferred prioritization principle with register data on their patients' contacts in general practice. We consider different types of contacts as the required effort could impact the need for prioritization. Our results show variation in GPs' prioritization principles, where a majority prefers a principle that may lead to an unequal distribution of services. We further find that GPs' attitudes toward prioritization predict some poor‐health patients' access to general practice. GPs who state they prefer the principle of prioritizing patients in the poorest health state when resources tightened provide more contacts to poor‐health patients. The additional contacts are typically high‐effort contacts such as annual status meetings and home visits, but also low‐effort contacts such as emails. Our findings indicate inequity in poor‐health patients' access to care across general practices.
Accelerating cardiac diffusion tensor imaging using Swin transformer with octave convolution
Authors: Li Rui , Mo Chong , Wang Guanglai , Wang Hexiang , Huang Jianping , Song Wenlong 
Published: May 2024

AbstractCardiac diffusion tensor imaging (cDTI) is a promising and noninvasive magnetic resonance imaging (MRI) technique for assessing myocardial fiber microstructure. However, its clinical application is hampered by lengthy scanning and susceptibility to motion artifacts. This study proposes a cDTI reconstruction model (OSDTI), which leverages octave convolution (OctConv) and Swin Transformer to reconstruct diffusion‐weighted (DW) images from undersampled k‐space data. Our model capitalizes on the strengths of both OctConv and Swin Transformers. Specifically, the OctConv module excels at capturing intricate details and texture information within DW images, while the residual‐connected Swin Transformer module facilitates information retention across various feature extraction stages, thereby enhancing overall image comprehension and reconstruction accuracy. The evaluation of OSDTI using a human ex vivo heart dataset robustly validated the generalization ability of the model. Comparative analyze against existing deep‐learning methods demonstrated OSDTI's superior performance in both DW image quality and diffusion tensor metrics.
Peri‐implant diseases and systemic inflammation: A preliminary analysis from a cross‐sectional survey of patients with hypertension
Authors: Orlandi Marco , Pranno Nicola , Patel Vipul , Papi Piero , Di Murro Bianca , Pompa Giorgio , Polimeni Antonella , Letizia Claudio , Suvan Jeanie , D'Aiuto Francesco 
Published: May 2024

AbstractBackgroundThe aim of this study was to investigate the association between peri‐implant diseases and systemic inflammation assessed by serum C‐reactive protein (CRP) levels in a sample of patients with hypertension.MethodsA total of 151 participants with hypertension were included in a cross‐sectional study. The population was divided into six groups according to their peri‐implant and periodontal status (healthy controls, mucositis, peri‐implantitis, periodontitis, periodontitis and mucositis, periodontitis, and peri‐implantitis). Linear, logistic regression, and correlation analyses were performed.ResultsCRP levels were statistically significantly higher in participants with periodontitis alone (median 3.2 mg/L, interquartile range [IQR] 1.8, p = 0.012), combined with mucositis (3.10 mg/L, IQR 2.35, p < 0.001) or peri‐implantitis (2.7 mg/L, IQR 2.53, p = 0.002) when compared to the healthy controls (1 mg/L, IQR 1.2). This association was independent of age, sex, smoking status, and adiposity differences. Participants with periodontitis with and without peri‐implant diseases had the greatest odds of exhibiting CRP > 3 mg/L (odds ratio = 7.3, 95% confidence interval 1.6–33.9).ConclusionsPeri‐implant diseases are associated with systemic inflammation, but the nature of the association should be further investigated.
Proteomic Analysis of Surgery‐induced Stress Post‐Tracheal Transplantation Highlights Changes in Matrisome
Authors: Calyeca Jazmin , Hallak Diana , Hussein Zakarie , Dharmadhikari Sayali , Liu Lumei , Chiang Tendy 
Published: May 2024

ObjectiveInvestigate the impact of Surgery‐induced stress (SIS) on the normal airway repair process after airway reconstruction using a mouse microsurgery model, mass spectrometry (MS), and bioinformatic analysis.MethodsTracheal tissue from non‐surgical (N = 3) and syngeneic tracheal grafts at 3 months post‐replacement (N = 3) were assessed using mass spectrometry. Statistical analysis was done using MASCOT via Proteome Discoverer™. Proteins were categorized into total, dysregulated, suppressed, and evoked proteins in response to SIS. Dysregulated proteins were identified using cut‐off values of −1 <log2FoldChange >1 and t‐test (p value <0.05). Enriched pathways were determined using STRING and Metascape.ResultsAt the three‐month post‐operation mark, we noted a significant increase in submucosal cellular infiltration (14343 ± 1286 cells/mm2, p = 0.0003), despite reduced overall thickness (30 ± 3 μm, p = 0.01), compared to Native (4578 ± 723 cells/mm2; 42 ± 6 μm). Matrisome composition remained preserved, with proteomic analysis identifying 193 commonly abundant proteins, encompassing 7.2% collagens, 34.2% Extracellular matrix (ECM) glycoproteins, 6.2% proteoglycans, 33.2% ECM regulators, 14.5% Extracellular matrix‐affiliated, and 4.7% secreted factors. Additionally, our analysis unveiled a unique proteomic signature of 217 “Surgery‐evoked proteins” associated with SIS, revealing intricate connections among neutrophils, ECM remodeling, and vascularization through matrix metalloproteinase‐9 interaction.ConclusionsOur study demonstrated the impact of SIS on the extracellular matrix, particularly MMP9, after airway reconstruction. The novel identification of MMP9 prompts further investigation into its potential role in repair.Level of EvidenceNA Laryngoscope, 134:4052–4059, 2024
Experimental Evaluation of Mechanical Properties, Thermal Analysis, Morphology, Printability, and Shape Memory Performance of the Novel 3D Printed PETG‐EVA Blends
Authors: Ali Saeed J. A. , Rahmatabadi Davood , Baghani Mostafa , Baniassadi Majid 
Published: May 2024

AbstractPolyethylene terephthalate glycol (PETG) is a novel amorphous shape memory polymer with excellent printability for 4D printing. In this article, ethylene‐vinyl acetate (EVA) is used as a biocompatible and non‐toxic copolymer to improve plasticity and shape memory performance of PETG. PETG‐EVA blends are prepared and 3D printed using a melt mixing method and an upgraded fused deposition modeling (FDM) with a pneumatic feeding system. The results of the thermal analysis show that the blends exhibit two tan‐delta peaks, each related to their components, and morphology images confirm that they are biphasic and immiscible with good compatibility. The morphology of both EVA10 and EVA30 matrix droplets is observed, with the droplets being larger for EVA30. The use of a pneumatic feeding system, along with the ability to control the output melt flow, results in the best printing ability for EVA30, with minimal microholes between the grids and interlayer cracks. The tensile strength of PETG‐EVA blends ranged from 25.38 to 20.14 MPa, with the highest tensile strength achieved for EVA30. The shape memory performance of all three blends is similar; with shape recovery exceeding 90% in 20 s. Blends with higher EVA content exhibited faster shape recovery within the first 10 s.
Omnidirectional circularly polarized base station antenna with high gain and wide band
Authors: Li Hui , Xu Jiawen , Wu Sirao , Chen Qiang 
Published: May 2024

AbstractIn this paper, an omnidirectional circularly polarized (OCP) antenna is designed for base stations, providing high gain and wide axial ratio (AR) bandwidth. The six‐stage OCP antenna is built from cascaded spiral rings and vertical dipoles. To improve the roundness and enlarge the AR bandwidth, spirals in shunt are utilized in proximity to the feeding. Then, network characteristic mode theory is employed to provide frequency reconfiguration, to further expand AR bandwidth. Four internal ports are introduced at the current maximums of the OCP antenna. With proper reactive loads at the internal ports, the CP performances with omnidirectional patterns are reconstructed at a higher frequency band. As a result, the OCP antenna operates at the band of 3.3–3.78 GHz, with a maximum gain of 7.38 dBic. The out‐of‐roundness of pattern is less than 2.5 dB, indicating robust omnidirectional radiation performances.