bluuebunny/crossref_metadata_2025_split huggingface dataset:
Surface Engineering through In Situ Construction of CoxB‐Spinel Dual Coating Layers for High‐Voltage Stable Sodium‐Ion Batteries
Authors: Feng Sheng , Lu Yan , Lu Xiaoyue , Chen Huan , Wu Xiangwei , Wu Meifen , Xu Fangfang , Wen Zhaoyin 
Published: January 2024

AbstractTransition metal layered oxides (NaxTMO2), boasting a high theoretical specific capacity and affordability, have emerged as prominent cathodes for sodium‐ion batteries (SIBs). Their potential, however, is hindered when operating at higher voltage range (4.0–4.3 V) due to irreversible phase transition, heterogeneous surface reconstruction, and side reaction. Herein, using a straightforward room‐temperature liquid‐phase reductive method, a dual conformal protective layer is in situ constructed on the surface of NaNi1/3Fe1/3Mn1/3O2(NFM). This layer comprises both a spinel structure and an amorphous CoxB coating, thereby achieving a layered‐spinel‐CoxB configuration. The spinel structure provides 3D Na+ transport channels and works as a pillar to anchor the intrinsic layered structure. Simultaneously, the external CoxB layer effectively mitigates O loss, transition metal ion dissolution, and undesired side reactions on the surface. Benefiting from the synergistic effects on both the material's bulk and surface, the 1wt% CoxB coated cathode displays superior stability. After 300 cycles, the capacity retention is 79.6% between 2 and 4 V, significantly outperforming pristine‐NFM's(p‐NFM) 51.4%. When charged to 4.3 V, its capacity retention stands at 70%, much higher than that of p‐NFM (51.2%). This work provides new insights into exploiting high‐voltage stable cathode through constructing a dual conformal protective layer for high energy density SIBs.
Use of an ultrasound picture archiving and communication system to answer research questions: Description of data cleaning methods
Authors: Moore Matthew K , Whalley Gillian , Jones Gregory T , Coffey Sean 
Published: January 2024

AbstractIntroduction/PurposeUltrasound picture archiving and communication system (PACS) databases are useful for quality improvement and clinical research but frequently contain free text that is not easily readable. Here, we present a method to extract and clean a semi‐structured echocardiography (cardiac ultrasound) PACS database.MethodsEchocardiography studies between 1 January 2010 and 31 December 2018 were extracted using a data mining tool. Numeric variables were recoded with extreme values excluded. Analysis of free text, including descriptions of the heart valves and right and left ventricular size and function, was performed using a rule‐based system. Different levels of free text variables were initially identified using commonly used phrases and then iteratively developed. Randomly selected sets of 100 studies were compared to the electronic health record to validate the data cleaning process.ResultsThe data validation step was performed three times in total, with Cohen's kappa ranging between 0.88 and 1.00 for the final set of data validation across all measures.ConclusionFree text cleaning of semi‐structured PACS databases is possible using freely available open‐source software. The accuracy of this method is high, and the resulting dataset can be linked to administrative data to answer research questions. We present a method that could be used to answer clinical questions or to develop quality improvement initiatives.
HClO‐Mediated Photoelectrochemical Epoxidation of Alkenes with Near 100 % Conversion Rate and Selectivity by Regulating Lattice Chlorine Cycle
Authors: Yang Yan , Yuan Xiaojia , Wang Qian , Wan Shipeng , Lin Cheng , Lu Siyu , Zhong Qin , Zhang Kan 
Published: January 2024

AbstractDirectional organic transformation via a green, sustainable catalytic reaction has attracted a lot of attention. Herein, we report a photoelectrochemical approach for highly selective epoxidation of alkenes in a salt solution using Co2(OH)3Cl (CoOCl) as a bridge of photo‐generated charge, where the lattice Cl− of CoOCl can be oxidized to generate HClO by the photo‐generated holes of BiVO4 photoanode and be spontaneously recovered by Cl− of a salt solution, which then oxidizes the alkenes into the corresponding epoxides. As a result, a series of water‐soluble alkenes, including 4‐vinylbenzenesulfonic acid sodium, 2‐methyl‐2‐propene‐1‐sulfonic acid sodium, and 3‐methyl‐3‐buten‐1‐ol can be epoxidized with near 100 % conversion rate and selectivity. Through further inserting a MoOx protection layer between BiVO4 and CoOCl, the stability of CoOCl−MoOx/BiVO4 can be maintained for at least 120 hours. This work opens an avenue for solar‐driven organic epoxidation with a possibility of on‐site reaction around the abundant ocean.
Stereoselective Synthesis of Complex Polyenes through Sequential α‐/β‐C−H Functionalization of trans‐Styrenes
Authors: Zhu Yuhang , Wang Yini , Shen Wenzhou , Chen Xiaoyu , Liu Qiuhua , Yang Limin , Zhong Guofu , Zhang Jian 
Published: January 2024

AbstractSequential C−H functionalization of molecules containing multiple C−H bonds can efficiently lead to structural diversity. Herein we present the first chelation‐assisted sequential α‐/β‐C−H functionalization of E‐styrenes with simple alkenes and alkynes in excellent regio‐ and stereo‐selectivity. The process involves α C−H functionalization by six‐membered exo‐cyclopalladation to result in tri‐ and tetrasubstituted 1,3‐dienes and β C−H functionalization through seven‐membered endo‐cyclopalladation to produce tetra‐ and pentasubstituted 1,3,5‐trienes in up to 97 % yield with up to >99/1 E/Z selectivity, both enabled by the chelation assistance of pyrazinamide. The protocol is demonstrated to be widely applicable, tolerant to a wide range of functional groups and bioactive fragments, and suitable for gram‐scale synthesis as well as one‐pot and two step preparation of trienes. Mechanistic experiments and density functional theory (DFT) calculations were performed to elucidate the selectivity and reactivity.
LiNO3‐Based Electrolytes via Electron‐Donation Modulation for Sustainable Nonaqueous Lithium Rechargeable Batteries
Authors: Chen Hui , Chen Kean , Luo Laibing , Liu Xingwei , Wang Zhi , Zhao Along , Li Hui , Ai Xinping , Fang Yongjin , Cao Yuliang 
Published: January 2024

AbstractLiPF6 as a dominant lithium salt of electrolyte is widely used in commercial rechargeable lithium‐ion batteries due to its well‐balanced properties, including high solubility in organic solvents, good electrochemical stability, and high ionic conductivity. However, it suffers from several undesirable properties, such as high moisture sensitivity, thermal instability, and high cost. To address these issues, herein, we propose an electron‐donation modulation (EDM) rule for the development of low‐cost, sustainable, and electrochemically compatible LiNO3‐based electrolytes. We employ high donor‐number solvents (HDNSs) with strong electron‐donation ability to dissolve LiNO3, while low donor‐number solvents (LDNSs) with weak electron‐donation ability are used to regulate the solvation structure to stabilize the electrolytes. As an example, we design the LiNO3‐DMSO@PC electrolyte, where DMSO acts as an HDNS and PC serves as an LDNS. This electrolyte exhibits excellent electrochemical compatibility with graphite anodes, as well as the LiFePO4 and LiCoO2 cathodes, leading to stable cycling over 200 cycles. Through spectroscopy analyses and theoretical calculation, we uncover the underlying mechanism responsible for the stabilization of these electrolytes. Our findings provide valuable insights into the preparation of LiNO3‐based electrolytes using the EDM rule, opening new avenues for the development of advanced electrolytes with versatile functions for sustainable rechargeable batteries.
Modifying the Oxidative Potentials of Imines in a Dye Loaded Capsule for Photocatalytic Cyclization with Hydrogen Evolution
Authors: Yang Yang , Li Hanning , Shi Youpeng , Wu Yuchen , Jing Xu , Duan Chunying 
Published: January 2024

AbstractModifying redox potential of substrates and intermediates to balance pairs of redox steps are important stages for multistep photosynthesis but faced marked challenges. Through co‐clathration of iridium photosensitizer and imine substrate within one packet of a metal‐organic capsule to shift the redox potentials of substrate, herein, we reported a multiphoton enzymatic strategy for the generation of heterocycles by intramolecular C−X hydrogen evolution cross‐couplings. The cage facilitated a pre‐equilibrium substrate‐involving clathrate that cathodic shifts the oxidation potential of the substrate‐dye‐host ternary complex and configuration inversion of substrate via spatial constraints in the confined space. The new two photon excitation strategy enabled the precise control of the multistep electron transfer between each pair (photosensitizer, substrate and the capsule), endowing the catalytic system proceeding smoothly with an enzymatic fashion. Three kinds of 2‐subsituted (−OH, −NH2, and −SH) imines and N‐aryl enamines all give the corresponding cyclization products efficiently under visible light irradiation, demonstrating the promising of the microenvironment driven thermodynamic activation in the host‐dye‐substrate ternary for synergistic combination of multistep photocatalytic transformations.
Creation of periodic structures in a thick photopolymerizing layer
Authors: Mensov Sergey N. , Polushtaytsev Yuri V. 
Published: January 2024

AbstractThe possibility of optical creation of polymer structures with a periodic distribution of the refractive index in a layer of a photopolymerizing composition, the thickness of which significantly exceeds the depth of field of the used projection system, is considered. Nonlinear wave processes in such an irreversible photorefractive medium for grating‐forming radiation are considered. Using computer simulation, modes of stable self‐channeling of closely propagating light beams have been found, as a result of which regular extended waveguide tracks can be obtained. The results of experiments on the creation of thick polymer gratings using a conventional incoherent projection system are demonstrated. In a composition based on industrial monomer OCM‐2, gratings with a period of 10 μm and a thickness of more than 1 mm were obtained.
A comparative study of polyurethane foam by substituting LBA using green polyurethane foam CFA‐1
Authors: Li Xin‐Chao , Bi Yu‐Sui , Bi Ge‐Hua 
Published: January 2024

AbstractPolyurethane foams are well‐known optimal thermal‐insulating materials, which have good thermal insulation performance, high strength, and lightweight properties. Here, we describe a chlorine‐free and fluorine‐free polyurethane chemical foaming agent (CFA‐1) that can react with isocyanate to release CO2 gas and foam polyurethane. We systematically studied its application performance in the field of polyurethane spraying by substituting the current most advanced and environment‐friendly physical foaming agent 1‐chloro‐3,3,3‐trifluoroprop‐1‐ene in different proportions. The results show that highly competitive mechanical properties lead to economical, environment‐friendly, and efficient features. The lower thermal conductivity, more compact and smaller bubble structure, and excellent compression strength were achieved by tuning the proportion of CFA‐1 from 20% to 60%. Thus, a promising material system was established for the development of the rigid polyurethane foam industry.
ROS‐sensitive selenium‐containing cationic brush polymer with potent gene transfection efficiency and biocompatibility
Authors: Zhai Yonghua , Wu Lili , Gao Jie , Zhou Jingsheng , Du Longhai , Fu Xiaoda , Gao Yang , Zhang Tinglin , Zhang Mengya , Lu Weihong , Wu Yan 
Published: January 2024

AbstractSmart gene delivery vectors are gaining increasing attention in gene therapy, owing to their low cytotoxicity and intrinsic responsiveness. Our previously fabricated novel cationic brush polymer, comprising CSe bonds and tertiary amine EGIn‐g‐PDMAEMA, shows potential for gene transfection. In this study, its high efficiency for siRNA/pDNA transfection and low cytotoxicity in reactive oxygen species (ROS)‐rich microenvironments is substantiated in vitro. Its superior binding capacity with siRNA/pDNA is confirmed by agarose gel electrophoresis assay. The threshold weight ratios for siRNA/pDNA migration delay are 15 and 3 (polymer‐to‐nucleic acid, w/w), respectively. Fluorescence microscopy and ribonucleotide reductase regulatory subunit M2 gene silencing essay verify the biodegradability and responsive control release of nucleic acids under hydrogen peroxide stimulation in Huh‐7 cells. Compared with the gold standard, polyethylenimine 25 kDa, the target polymer displays superior transfection efficiency in ROS‐rich tumor cells under serum‐free conditions. Furthermore, the vector–nucleic acid complexes exhibit over 90% cell viability at a high concentration of 12 μg mL−1 and good colloidal stability in phosphate‐buffered saline (PBS) and 10% fetal bovine serum‐PBS for 24 h. The efficient control release and expression of nucleic acids in ROS environments and reduced cytotoxicity highlight the superiority of EGIn‐g‐PDMAEMA as a gene delivery platform for tumor gene therapy.
An all‐green cellulose acetate/corn cob composite membrane filter: A critical evaluation of its morphology and adsorption characteristics for dyes and heavy metals
Authors: Aswathy N. R. , Sen Rituparna , Mongaraj Snehashree , Sudha G. S. , Mohapatra Aswini Kumar 
Published: January 2024

AbstractIndustrial wastewater from various manufacturing sectors poses a significant environmental concern due to the release of dyes, heavy metals, and pollutants into natural water streams. Effective treatment of large volumes of industrial wastewater is crucial to mitigate this issue. Conventional industrial wastewater filtration systems often prove to be inefficient, necessitating the exploration of alternative and cost‐effective water filtration methods. In this study, we drew inspiration from the natural adsorption and purification properties of corncob to develop a novel green composite membrane filter. The composite membrane filters, named MCAPCB and MCATPCB, were formulated by incorporating powdered corncob (PCB) and alkali/hydrogen peroxide‐treated powdered corncob (TPCB) into cellulose acetate. The adsorption properties of the composite filters were evaluated using UV–Vis spectrophotometry for dye adsorption and inductively coupled plasma optical emission spectroscopy (ICP‐OES) and atomic absorption spectroscopy (AAS) for heavy metal adsorption. The results demonstrated that MCATPCB20, incorporating 20 wt% TPCB, exhibited remarkable performance in the removal of methylene blue dye, with an adsorption efficiency of 97.46%. In comparison, MCAPCB20, incorporating 20 wt% PCB, achieved a dye adsorption efficiency of 80.15%. Moreover, MCATPCB20 displayed exceptional heavy metal removal capabilities, effectively rejecting 98% and 95% of cadmium and lead, respectively, from water samples containing 1 ppm of each metal. The composite filter membranes containing 20 wt% TPCB exhibited superior adsorption efficiency, flexibility, and stability. This enhanced performance can be attributed to the higher carboxyl content in TPCB, achieved through alkali treatment, which significantly increased the adsorption capacity of MCATPCB20. Characterization studies employing XRD, SEM, contact angle, BET, ICP‐OES, and UV measurements further supported the efficacy of MCATPCB as an effective filter system for water purification.
Synthesis and evaluation of febrifugine derivatives as anticoccidial agents
Authors: Tang Da , Chen Xiao‐Hu , Yu Yuan‐Di , Deng Yu 
Published: January 2024

AbstractA series of new febrifugine derivatives with a 4(3H)‐quinazolinone scaffold were synthesized and evaluated for their anticoccidial activity both in vitro and in vivo. The targets' in vitro activity against Eimeria tenella was studied using quantitative real‐time reverse transcription polymerase chain reaction and Madin‐Darby bovine kidney cells. Most of these compounds demonstrated anticoccidial efficacy, with inhibition ratios ranging from 3.3% to 85.7%. Specifically, compounds 33 and 34 showed significant inhibitory effects on the proliferation of E. tenella and exhibited lower cytotoxicity compared to febrifugine. The IC50 values of compounds 33 and 34 were 3.48 and 1.79 μM, respectively, while the CC50 values were >100 μM for both compounds. Furthermore, in a study involving 14‐day‐old chickens infected with 5 × 104 sporulated oocysts, treatment with five selected compounds (22, 24, 28, 33, and 34), which exhibited in vitro inhibition rate of over 50% at 100 μM, at a dose of 40 mg/kg in daily feed for 8 consecutive days showed that compound 34 possessed moderate in vivo activity against coccidiosis, with an anticoccidial index of 164. Structure–activity relationship studies suggested that spirocyclic piperidine may be a preferable substructure to maintain high effectiveness in inhibiting Eimeria spp., when the side chain 1‐(3‐hydroxypiperidin‐2‐yl)propan‐2‐one was replaced.
Water vs. Organic Solvents: Water‐Controlled Divergent Reactivity of 2‐Substituted Indoles
Authors: Hashidoko Airu , Kitanosono Taku , Yamashita Yasuhiro , Kobayashi Shū 
Published: January 2024

AbstractWater is not a good solvent for most organic compounds, yet water can offer many benefits to some organic reactions, hence enriching organic chemistry. Herein, the unique divergent reactivity of 2‐substituted indoles with ⋅NO sources is presented. The amount of water solvent was harnessed for a scalable, benign, and expedient synthesis of indolenine oximes, albeit with water's inability to dissolve the reactants. 2‐Methoxyethyl nitrite, which has been tailored for reactions in water, empowered this protocol by enhancing the product selectivity. We further report on chemoselective transformations of the products that rely on their structural features. Our findings are expected to offer access to an underexplored chemical space. The platform is also applicable to oximinomalonate synthesis. Mechanistic studies revealed the important role of water in the reversal of stability between oxime and nitroso compounds, promoting the proton transfer.
Ferrocene‐Boosted Nickel Sulfide Nanoarchitecture for Enhanced Alkaline Water Splitting
Authors: Hassan Abeera , Komal Zafar Hafiza , Shahid Ashraf Raja , Arfan Muhammad , Rezaul Karim Mohammad , Wahab Md A. , Sohail Manzar 
Published: January 2024

AbstractEnhanced electrocatalysts that are cost‐effective, durable, and derived from abundant resources are imperative for developing efficient and sustainable electrochemical water–splitting systems to produce hydrogen. Therefore, the design and development of non–noble–based catalysts with more environmentally sustainable alternatives in efficient alkaline electrolyzers are important. This work reports ferrocene (Fc)‐incorporated nickel sulfide nanostructured electrocatalysts (Fc−NiS) using a one–step facile solvothermal method for water–splitting reactions. Fc−NiS exhibited exceptional electrocatalytic activity under highly alkaline conditions, evident from its peak current density of 345 mA cm−2, surpassing the 153 mA cm−2 achieved by the pristine nickel sulfide (NiS) catalysts. Introducing ferrocene enhances electrical conductivity and facilitates charge transfer during water–splitting reactions, owing to the inclusion of iron metal. Fc−NiS exhibits a very small overpotential of 290 mV at 10 mA cm−2 and a Tafel slope of 50.46 mV dec−1, indicating its superior charge transfer characteristics for the three–electron transfer process involved in water splitting. This outstanding electrocatalytic performance is due to the synergistic effects embedded within the nanoscale architecture of Fc−NiS. Furthermore, the Fc−NiS catalyst also shows a stable response for the water–splitting reactions. It maintains a steady current density with an 87% retention rate for 25 hours of continuous operation, indicating its robustness and potential for prolonged electrolysis processes.
Cascade Synthesis of New Indole‐Containing Pentacyclic Scaffolds Mediated by Aryl and Iminyl Radicals
Authors: Abonia Rodrigo , García Andres C. , Hurtado Eduin A. , Jaramillo‐Gómez Luz M. , Insuasty Braulio , Quiroga Jairo , Nogueras Manuel , Cobo Justo 
Published: January 2024

AbstractA five‐step approach, starting from simple 1,5‐disubstituted indoles, has been implemented for the synthesis of diversely substituted indole‐pyrido‐indene pentacyclic compounds up to 54 % yield via domino radical‐mediated processes in the presence of the radical reagents DLP/TTMSS and AIBN/TTMSS. Reactions proceeded with diverse key starting radical cyano‐precursors strategically synthesized which were subsequently transformed into the target pentacyclic compounds through an aryl/iminyl radical‐mediated domino reactions sequence. In addition to the routine spectroscopic techniques, the structure of radical precursors, as well as, the target pentacyclic products were unequivocally established by single crystal X‐ray diffraction, confirming the effectiveness of the proposed synthetic sequence.
Teachers taking perceptions of student attributes into consideration when formulating track recommendations?
Authors: van Leest Anne , Hornstra Lisette , van Tartwijk Jan , van de Pol Janneke 
Published: January 2024

AbstractIn some tracked educational systems, track recommendations are formulated by primary school teachers to determine the secondary school level that students will be allocated to. While teachers mostly base their track recommendations on students’ prior achievement, the extent to which teachers also consider perceived student attributes, such as students’ perceived work habits or parental involvement, and the extent to which these perceived student attributes are predictive for secondary school performance is unclear. Therefore, we first investigated the extent to which teachers consider their perceptions of student attributes in their track recommendations (RQ1). Differences between students from different backgrounds and differences between teachers were taken into account. Second, we examined the extent to which primary school teachers’ perceptions of student attributes are predictive for their secondary school performance (RQ2). Participants were 17,953 Grade 6 students from 1105 Dutch primary school teachers (RQ1) and 4150 Grade 9 students from 1289 Dutch secondary school classes (RQ2). Data used in this research were analysed using multilevel models. Findings indicated that teacher‐perceived student attributes played only a minor role in track recommendations and secondary school performance. Yet the extent to which these attributes were considered by teachers differed based on students’ background and differed between teachers. For secondary school performance, teacher‐perceived student attributes to have limited predictive value. The limited predictive value of teacher‐perceived student attributes for students’ performance in secondary education suggests that teachers may need to be careful with taking perceived student attributes into account when formulating track recommendations.
Neutralise: An open science initiative for neutral comparison of two‐sample tests
Authors: Kodalci Leyla , Thas Olivier 
Published: January 2024

AbstractThe two‐sample problem is one of the earliest problems in statistics: given two samples, the question is whether or not the observations were sampled from the same distribution. Many statistical tests have been developed for this problem, and many tests have been evaluated in simulation studies, but hardly any study has tried to set up a neutral comparison study. In this paper, we introduce an open science initiative that potentially allows for neutral comparisons of two‐sample tests. It is designed as an open‐source R package, a repository, and an online R Shiny app. This paper describes the principles, the design of the system and illustrates the use of the system.