bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pincer Nickel‐Catalyzed Olefination of Alcohols with Benzylphosphine Oxides
Authors: Duan Yu‐Tong , Yang Bo , Wang Zhong‐Xia 
Published: April 2024

AbstractN,N,P‐Pincer nickel complexes effectively catalyze reaction of alcohols with benzylphosphine oxides to form alkenes in good yields. The protocol suits for a wide scope of substrates and generates only E‐configurated alkenes. The method also shows good compatibility of functional groups. Methoxy, methylthio, trifluoromethyl, ketal, fluoro, chloro, bromo, thienyl, and furyl groups are tolerated. The mechanism studies support that the reaction proceeds through catalytic dehydrogenation of alcohols to aldehydes or ketones followed by condensation with benzyldiphenylphosphine oxides in the presence of KOtBu.
A new passive‐based active disturbance rejection control for PMSG system with saturation constraints
Authors: Yu Dehai , Sun Weiwei , Li Yongshu 
Published: April 2024

AbstractThe disturbance in wind energy conversion system has a serious negative impact on the maximum power tracking performance of the system, and the saturation constraint problem also seriously restricts the stability of the control system. Therefore, a novel model compensation passive‐based active disturbance rejection control strategy is proposed to suppress the disturbance and saturation constraints, thus improving the tracking performance of the permanent magnet synchronous generator system in this paper. Taking advantage of the fact that active disturbance rejection control technology can estimate and compensate for the disturbances of the system in real time, a model compensation active disturbance rejection control method is proposed to make the system more robust to the changes in its own parameters and external disturbance. At the same time, the control input signal of the controller is given. A model compensation passive‐based active disturbance rejection controller is designed by using the passive control method, and the nonlinear sector method is introduced to solve the saturation constraint problem of the system. Simulation results show that the control strategy can effectively reduce overshoot, improve the system's response speed, have a good anti‐interference ability, and effectively suppress the influence of saturation constraints on the system.
Finite‐time sliding mode fault‐tolerant control of PEM fuel cell air supply system
Authors: Wang Zhixiang , Guo Xiaoyu , Dong Zhen , Cao Songyin 
Published: April 2024

AbstractProton exchange membrane (PEM) fuel cell air supply system is primarily responsible for delivering air to the fuel cell at a specific stoichiometric ratio for chemical reaction. The stoichiometric ratio will be impacted by the sudden change in load and system failure. Under the aforementioned circumstances, precise and timely air supply regulation is required to avoid irreparable PEM damage. In order to enhance the robustness and performance of the fuel cell, a cascaded finite time sliding mode fault‐tolerant control method is proposed for the air supply system of PEMFC. The control objective is to adjust the oxygen excess ratio at the cathode flow field, which can avoid the occurrence of oxygen starvation in the PEM fuel cell when the load current changes rapidly or when fault occurs. A cascaded controller structure is introduced, where, in the inner loop, an adaptive sliding mode controller is designed to reconstruct fault signal and track the optimal output trajectory and, in the outer loop, a finite‐time observer is employed to obtain the expected output trajectory. The proposed control scheme is capable of fault‐tolerant tracking of the optimal oxygen excess ratio within finite time. The effectiveness of proposed fault‐tolerant control algorithm is verified through hardware‐in‐the‐loop (HIL) studies.
Adaptive bipartite output containment control of heterogeneous multi‐agent systems against FDI attacks
Authors: Cheng Jie , Wu Jie , Zhan Xisheng , Han Tao , Wu Bo 
Published: April 2024

AbstractThis paper researches the adaptive bipartite output containment control of heterogeneous multi‐agent systems (HMASs) against false data injection (FDI) attacks. The malicious adversaries could inject attacks on the actuator to maximize damage to the HMASs, which in turn causes the compromised followers to be unable to track the output states of the leaders. To address this issue, a resilient layer is introduced that prevents attack signals from affecting the states. Moreover, an adaptive compensator is ingeniously devised to counteract these attacks, thereby ensuring that both cooperative and antagonistic agents adhere to distinct convex hulls. Leveraging the output regulation approach, conducting Lyapunov stability analysis, and drawing upon other pertinent methodologies, we have systematically constructed a robust framework for the realization of bipartite output containment control. Ultimately, the validity of the analytical findings is confirmed through a series of rigorous numerical simulations.
Comparison of Met Office regional model soil moisture with COSMOS‐UK field‐scale in situ observations
Authors: Cooper Elizabeth , Charlton‐Perez Cristina , Ellis Rich 
Published: April 2024

AbstractThe UK Met Office state‐of‐the‐art, deterministic, convection‐permitting, coupled land‐atmosphere, regional weather forecasting system, known as the UKV or UK Variable resolution model (Tang et al. Meteorological Applications, 2013; 20:417–426), has been operational since 2015. Science updates are regularly made to the UKV land surface data assimilation scheme when those updates improve predictions of screen temperature and humidity, since these quantities have a direct impact on atmospheric states and weather forecasts. Less attention has been paid to whether UKV soil moisture analyses are close to independent, in‐situ soil moisture observations, partly because it is difficult to make meaningful comparisons between 1.5 km2 gridded model outputs and traditional point sensor measurements. Soil moisture is recognized to be important when hydrological forecasts for runoff and rivers are required. This is because soil moisture controls the extent to which rainfall can infiltrate the soil, and the amount of surface runoff affects the timing of peak river flows (Ward & Robinson, Principles of Hydrology. McGraw‐Hill Publishing Company; 2000; Singh et al. Water Resources Research, 2021, 57, e2020WR028827). Gómez et al. (Remote Sensing, 2020; 12:3691) report benefits to river flow forecasts when using soil moisture data assimilation in the UKV system instead of a daily downscaled product from the Met Office global model. The Met Office measures soil temperature and soil moisture at Cardington (Osborne & Weedon, Journal of Hydrometeorology, 2021, 22:279–295); there is no other UK Met Office site at which soil moisture is measured. In this study, we use field‐scale (~200 m radius) soil moisture measurements from the UK Centre for Ecology and Hydrology's (UKCEH's) COSMOS‐UK network to provide independent verification and analysis of UKV soil moisture during summer 2018, an unusually dry period in the United Kingdom. We find that the match to COSMOS‐UK soil moisture observations is generally good, and that changes made to the land data assimilation approach during a recent operational upgrade had a generally beneficial impact on UKV soil moisture analyses under very dry conditions.
Residues determination, risk assessment, and dissipation behavior of myclobutanil formulation on apple
Authors: Amin Zakir , Sheikh Parveez Ahmad , Jan Ishrat , Summuna Baby , Dar Alamgir Ahmad , Wani Fazil Fayaz , Bhat Zahoor Ahmad 
Published: April 2024

AbstractThis study aimed to investigate the dissipation pattern, risk assessment, and waiting period of myclobutanil on apple fruit (Malus domestica Borkh.) under temperate conditions in Kashmir, India. The study involved the application of myclobutanil 10 WP at a single recommended dosage (125 g a.i. ha−1) and double dosage (250 g a.i. ha−1) on Red Velox apple trees, 2 months before harvest. GC equipped with an electron capture detector was used to analyze myclobutanil residues in fruit samples. The study revealed that myclobutanil, at both recommended and double recommended doses, dissipated rapidly and became nondetectable after 55 and 60 days, respectively. The waiting period for myclobutanil application was determined to be 12.41 days for the single dose and 25.58 days for the double dose, respectively. These waiting periods were based on the maximum residue limit of 0.6 ppm as prescribed by the Codex Alimentarius Commission, Food Safety and Standards Authority of India, and European Commission. The study concludes that myclobutanil 10 WP is safe for consumers at both recommended and double recommended doses when applied 2 months before harvest. Risk assessment, considering the average daily apple consumption in India and theoretical maximum residue contributions (TMRCs), indicates negligible health hazards even at double the recommended dosage. The calculated TMRC values at Day 0 were significantly below the maximum permissible intake. For average and maximum myclobutanil residues at single and double doses, the TMRC values were found to be 0.0069 and 0.0070 mg day−1 person−1 and 0.0105 and 0.0106 mg day−1 person−1, respectively. These results indicate that myclobutanil, when used according to recommended dosages and waiting periods, poses minimal health risks to consumers. The study emphasizes the importance of prudent fungicide use to minimize fungicide residues on fruits, thereby ensuring their safety for consumption.
Spatiotemporal evolutionary process of osteosarcoma immune microenvironment remodeling and C1QBP‐driven drug resistance deciphered through single‐cell multi‐dimensional analysis
Authors: Wu Xin , Tang Ning , Zhao Qiangqiang , Xiong Jianbin 
Published: April 2024

AbstractThe tumor immune microenvironment has manifested a crucial correlation with tumor occurrence, development, recurrence, and metastasis. To explore the mechanisms intrinsic to osteosarcoma (OS) initiation and progression, this study synthesizes multiple single‐cell RNA sequencing data sets, constructing a comprehensive landscape of the OS microenvironment. Integrating single‐cell RNA sequencing with bulk RNA sequencing data has enabled the identification of a significant correlation between heightened expression of the fatty acid metabolism‐associated gene (C1QBP) and patient survival in OS. C1QBP not only amplifies the proliferation, migration, invasion, and anti‐apoptotic properties of OS but also instigates cisplatin resistance. Subsequent investigations suggest that C1QBP potentially promotes macrophage polarization from monocytes/macrophages toward M2 and M3 phenotypes. Consequently, C1QBP may emerge as a novel target for modulating OS progression and resistance therapy.
Design, Synthesis, and Biological Evaluation of Novel Quinazoline Derivatives Possessing a Trifluoromethyl Moiety as Potential Antitumor Agents
Authors: Chen Mingxiu , Cheng Sha , Dai Xing , Yu Jia , Wang HuiDi , Xu BiXue , Luo Heng , Xu Guangcan 
Published: April 2024

AbstractA novel series of trifluoromethyl‐containing quinazoline derivatives with a variety of functional groups was designed, synthesized, and tested for their antitumor activity by following a pharmacophore hybridization strategy. Most of the 20 compounds displayed moderate to excellent antiproliferative activity against five different cell lines (PC3, LNCaP, K562, HeLa, and A549). After three rounds of screening and structural optimization, compound 10 b was identified as the most potent one, with IC50 values of 3.02, 3.45, and 3.98 μM against PC3, LNCaP, and K562 cells, respectively, which were comparable to the effect of the positive control gefitinib. To further explore the mechanism of action of 10 b against cancer, experiments focusing on apoptosis induction, cell cycle arrest, and cell migration assay were conducted. The results showed that 10 b was able to induce apoptosis and prevent tumor cell migration, but had no effect on the cell cycle of tumor cells.
The PR‐10 Protein Pru p 1 is an Endonuclease that Preferentially Cleaves Single–Stranded RNA
Authors: Röck Manuel , Heel Sarah Viola , Juen Fabian Sebastian , Eidelpes Reiner , Kreutz Christoph , Breuker Kathrin , Tollinger Martin 
Published: April 2024

AbstractPathogenesis–related class 10 (PR‐10) proteins play a crucial role in plant defense by acting as ribonucleases. The specific mechanism of action and substrate specificity of these proteins have remained largely unexplored so far. In this study, we elucidate the enzymatic activity of Pru p 1, a PR‐10 protein from peach. We demonstrate that this protein catalyzes the endonucleolytic backbone cleavage of RNA substrates into short oligonucleotides. Initial cleavage products, identified through kinetic analysis, can bind again, priming them for further degradation. NMR binding site mapping reveals that the large internal cavity of Pru p 1, which is characteristic for PR‐10 proteins, serves as an anchoring site for single–stranded ribonucleotide chains. We propose a structure‐based mechanistic model that accounts for the observed cleavage patterns and the inhibitory effect of zeatin, a nucleoside analog, on the ribonuclease activity of Pru p 1.
Oxide Solid–Solution Catalysts with Good Redox Properties for Liquid–Phase Aerobic Additive–Free Oxidation: A Review
Authors: Tada Shohei , Kondo Masaru , Joutsuka Tatsuya 
Published: April 2024

AbstractIn this review, we discuss liquid–phase redox reactions using oxide solid–solution catalysts. These oxide solid solutions are readily prepared by introducing various elements into the foundational metal oxide template. Doping with metal species leads to the formation of [MOx] clusters with unique coordination structures, which is a remarkable feature that deserves attention. Consequently, oxide solid solutions exhibit catalytic capabilities that extend beyond those of conventional metal–oxide catalysts. Notably, these [MOx] clusters occasionally exhibit exceptional redox activities that can be used to catalyze liquid–phase redox reactions. Hence, we conjecture that a connection exists between catalyst structure and activity. This review delves into oxide solid–solution catalysts through the lenses of organic chemistry, solid catalysts, and computational chemistry, thereby collectively shaping our understanding and prospects in this field.
Photogeneration of Hydrogen: Insights from a Pt(II)‐Complex Incorporated into a Covalent Organic Framework
Authors: Gobbato Thomas , Sicignano Marina , Di Vizio Biagio , De Biasi Federico , Rosa‐Gastaldo Daniele , Bonetto Alessandro , Costa Paolo 
Published: April 2024

AbstractPt(II)‐based molecular catalysts stand as a prototypical system in hydrogen evolution reactions (HER) owing to their consistently elevated activity levels. Their integration into heterogeneous systems thus provides an ideal platform to develop catalytic materials with optimal atom economy. In this work, by rational molecular design, we have synthesized a novel two‐dimensional photoactive Covalent Organic Framework (COF), wherein the pore walls host a quinoline‐based α‐diimine ligand serving as a coordination site for anchoring a Pt(II) molecular catalyst. Thorough structural analyses, employing X‐ray photoelectron spectroscopy (XPS), infrared spectroscopy (FT‐IR), diffuse reflectance spectroscopy (DR), coupled with DFT calculations, distinctly confirm the Pt(II) complexation through the coordination site of the α‐diimine ligand. The Pt(II)‐metalated COF exhibits photocatalytic activity with a hydrogen evolution rate reaching up to 1300 μmol g−1 h−1. Nevertheless, the occurrence of platinum nanoparticles in post‐catalysis samples, along with reduced photocatalytic activity in the presence of chloride ions, suggests that Pt(II) anchored into the COF backbone might not be the primary catalytic site.
Novel Alkane Dehydrogenation Routes via Tailored Catalysts
Authors: Dai Xueya , Qi Wei 
Published: April 2024

AbstractAlkane dehydrogenation to alkene represents a promising alternative route for conventional petroleum cracking processes heavily reliant on fossil resources. This Concept outlines the latest advancements of novel alkane dehydrogenation routes that offer potential solutions to intrinsic problems existing in routine direct dehydrogenation or oxidative dehydrogenation reactions, including CO2 assisted alkane dehydrogenation, chemical looping alkane oxidative dehydrogenation, dual‐path dehydrogenation and auto‐accelerated multiple alkane dehydrogenation route. These novel reaction routes exhibit unique advantages in enhancing the activity, selectivity and stability of the alkane dehydrogenation reaction system. The rational design of novel catalysts and proper choice of the reaction condition that well‐fitted these reaction routes is the key for achieving highly efficient and stable alkane dehydrogenation process. These present examples in this manuscript also highlight the importance of fundamental in‐depth understandings on the mechanism and structure‐function relations, which is the foundation for developing novel alkane dehydrogenation routes for practical applications.
Photoreduction of Trifluoromethyl Group: Lithium Ion Assisted Fluoride‐Coupled Electron Transfer from EDA Complex
Authors: Uchikura Tatsuhiro , Akutsu Fua , Tani Haruna , Akiyama Takahiko 
Published: April 2024

AbstractPhotoinduced single‐electron reduction is an efficient method for the mono‐selective activation of the C−F bond on a trifluoromethyl group to construct a difluoroalkyl group. We have developed an electron‐donor‐acceptor (EDA) complex mediated single‐electron transfer (EDA‐SET) of α,α,α‐trifluoromethyl arenes in the presence of lithium salt to give α,α‐difluoroalkylarenes. The C−F bond reduction was realized by lithium iodide and triethylamine, two common feedstock reagents. Mechanistic studies revealed the generation of a α,α‐difluoromethyl radical by single‐electron reduction and defluorination, followed by the radical addition to alkenes. Lithium salt interacted with the fluorine atom to promote the photoinduced reduction mediated by the EDA complex. Computational studies indicated that the lithium‐assisted defluorination and the single‐electron reduction occurred concertedly. We call this phenomenon fluoride‐coupled electron transfer (FCET). FCET is a novel approach to C−F bond activation for the synthesis of organofluorine compounds.
Small‐Molecule Allosteric Inhibitors of Human Aspartate Transcarbamoylase Suppress Proliferation of Bone Osteosarcoma Epithelial Cells
Authors: Wang Chao , Zhang Bidong , Cong Yingying , Du Xiaochen , Chen Siyao , Visser Lidia , Ruiz‐Moreno Angel J. , Zhang Lili , Reggiori Fulvio , Dömling Alexander S. S. , Groves Matthew R. 
Published: April 2024

AbstractAspartate transcarbamoylase (ATC) is the first committed step in de novo pyrimidine biosynthesis in eukaryotes and plants. A potent transition state analog of human ATCase (PALA) has previously been assessed in clinical trials for the treatment of cancer, but was ultimately unsuccessful. Additionally, inhibition of this pathway has been proposed to be a target to suppress cell proliferation in E. coli, the malarial parasite and tuberculosis. In this manuscript we screened a 70‐member library of ATC inhibitors developed against the malarial and tubercular ATCases for inhibitors of the human ATC. Four compounds showed low nanomolar inhibition (IC50 30–120 nM) in an in vitro activity assay. These compounds significantly outperform PALA, which has a triphasic inhibition response under identical conditions, in which significant activity remains at PALA concentrations above 10 μM. Evidence for a druggable allosteric pocket in human ATC is provided by both in vitro enzyme kinetic, homology modeling and in silico docking. These compounds also suppress the proliferation of U2OS osteoblastoma cells by promoting cell cycle arrest in G0/G1 phase. This report provides the first evidence for an allosteric pocket in human ATC, which greatly enhances its druggability and demonstrates the potential of this series in cancer therapy.
Semi‐automatic algorithm to build finite element numerical models of the human hearing system from Micro‐CT data
Authors: Caminos L. , Chaves G. , Garcia‐Manrique J. , Gonzalez‐Herrera A. 
Published: April 2024

AbstractFinite Element modeling has been an extended methodology to build numerical model to simulate the behavior of the hearing system. Due to the complexity of the system and the difficulties to reduce the uncertainties of the geometric data, they result in computationally expensive models, sometimes generic, representative of average geometries. It makes it difficult to validate the model with direct experimental data from the same specimen or to establish a patient‐oriented modeling strategy. In the present paper, a first attempt to automatize the process of model building is made. The source information is geometrical information obtained from CT of the different elements that compose the system. Importing that data, we have designed the complete procedure to build a model including tympanic membrane, ossicular chain and cavities. The methodology includes the proper coupling of all the elements and the generation of the corresponding finite element model. The whole automatic procedure is not complete, as we need to make some human‐assisted decisions; however, the model development time is reduced from 4 weeks to approximately 3 days. The goal of the modeling algorithm is to build a Finite Element Model with a limited computational cost. Several tasks as contour identification or model decimation are designed and integrated in order to follow a semi‐automated process that allows generating a patient‐oriented model.
Knowledge of risk factors and early detection methods toward breast cancer among healthcare workers in Kinshasa, Democratic Republic of the Congo
Authors: Sulu Stanislas Maseb'a Mwang , Mukuku Olivier , Sulu Arnold Maseb Sul , Massamba Bienvenu Lebwaze , Wembonyama Stanislas Okitotsho 
Published: April 2024

AbstractBackgroundBreast cancer (BC) is the most prevalent cancer among women, and it typically presents late in developing countries like the Democratic Republic of the Congo (DRC), leading to higher mortality rates. Late detection at advanced stages of breast cancer can be attributed to the absence of appropriate screening programs and low levels of awareness.AimsTo evaluate the level of BC knowledge among healthcare workers (HCWs) and identify determinants of good BC knowledge.Methods and resultsAn analytical cross‐sectional survey was conducted from March 1 to 31, 2022 involving HCWs practicing in Kinshasa, DRC. Data were collected using a questionnaire administered through direct interviews. Bivariate and multivariate regression techniques were applied. The study interviewed 543 HCWs, with a median age of 35 years (interquartile range: 29–43). Of these, 61% had good BC knowledge, while 39% had poor BC knowledge. Multivariate analysis revealed that HCWs aged 50 years and over (adjusted odds ratio [aOR] = 2.3 [1.2–4.5]), female HCWs (aOR = 1.8 [1.1–2.4]), HCWs working in public healthcare facilities (aOR = 1.5 [1.1–2.5]), and HCWs who had received training on BC (aOR = 1.9; 95% CI: 1.5–3.3) were determinants of good BC knowledge.ConclusionThis study found that 61% of the surveyed HCWs had good BC knowledge. However, there is still room for improvement in terms of knowledge dissemination. Therefore, it is important to implement continuing medical education programs that focus on raising awareness and improving BC knowledge among HCWs.