bluuebunny/crossref_metadata_2025 huggingface dataset:
Enantioselective Synthesis of Indole‐Derivated Axially Chiral Frameworks via CpXRh(III)‐Catalyzed Domino Cyclization/C3‐Arylation of 2‐Alkynylanilines with 1‐Diazonaphthoquinones
Authors: Ye Junwei , Song Qingwei , Pan Dongping , Zeng Zhongyi , Gao Hui , Xu Huiying , Yi Wei , Zhou Zhi
Published: January 2024

We report herein a chiral CpXRh(III)‐catalyzed domino cyclization/C3‐arylation process using 2‐alkynylanilines and 1‐diazonaphthoquinones as viable substrates, delivering indole‐based derivatives endowed with axial chirality. The method features high enantioselectivity, broad substrate scope, and robust functional group tolerance. Subsequent functionalization of the synthesized scaffolds underlines the practicality of this approach in the design of indole‐derivated axially chiral frameworks, demonstrating its substantial promise in synthetic and medicinal chemistry applications.
Base/DMSO‐Promoted Synthesis of Benzo[4,5]imidazo[2,1‐a]isoquinolines via C−C Bond Formation
Authors: Lee Seong Weon , Dao Pham Duy Quang , Lim Ho‐Jin , Cho Chan Sik
Published: January 2024

In this study, a synthetic method to access benzo[4,5]imidazo[2,1‐a]isoquinolines is developed by the reaction of 2‐(2‐bromoaryl)benzimidazoles with 1,3‐diketones under basic conditions. A reaction pathway involving the initial formation of a C−C coupled intermediate by nucleophilic aromatic substitution and subsequent deacylative cyclocondensation is proposed for this process.
Enantioselective Flow Synthesis of a Tetrahydroquinoline SERM Enabled by Immobilized Chiral Phosphoric Acid Catalysis and Diboronic Acid Mediated Selective Nitro Reduction
Authors: Nagy Bence S. , Maestro Aitor , Chaudhari Moreshwar B. , Kappe C. Oliver , Ötvös Sándor B.
Published: January 2024

An asymmetric enantioselective flow process is reported for the formal synthesis of a 1,2,3,4‐tetrahydroquinoline selective estrogen receptor modulator. Starting from an easily available 2‐nitrochalcone, the first part of the process comprised a telescoped nitro reduction/intramolecular cyclocondensation sequence using diboronic acid as a simple reductant. Subsequent enantioselective transfer hydrogenation in the presence of an immobilized phosphoric acid organocatalyst followed by telescoped N‐alkylation furnished the targeted chiral intermediate. The approach ensures flexibility regarding the scale of the synthesis, whilst minimizing the need for intermediate purifications and ensuring environmentally benign metal‐free conditions.
Performance Analysis and Restrictor Structure Improvement of an Internal Feedback Hydrostatic Turntable Oil Pad Considering Internal Flow
Authors: Yang Congbin , Shao Shuaihua , Li Ying , Liu Zhifeng , Zhao Yongsheng , Ma Honglie
Published: January 2024

This paper provides a comprehensive exploration of the operational mechanism of an internal feedback hydrostatic turntable. It employs a self‐compensating gap restrictor mechanism, resulting in heightened load capacity and stiffness. In this paper, the concept of internal flow is innovatively introduced. Subsequently, the Reynolds equation is solved using the finite difference method. This methodology offers a more precise and efficient assessment of the load‐bearing performance of the oil pad within the turntable. Then this paper further investigates the influence of the internal flow coefficient and pressure ratio on oil pad performance, encompassing aspects like load capacity, stiffness, and flow rate. Ultimately, optimal parameters are selected to improve the structure of the gap restrictor, considering various operational scenarios. In conclusion, the method adopted in this study not only improves the calculation accuracy and efficiency but also improves the structure and performance of the oil pad.
High‐Throughput Exploration of Phase Evolution in (Pb1−XBaX)ZrO3 Thin Films
Authors: Su Peipei , Ren Chuanlai , Zeng Lingping , An Feng , Li Minghuan , Chen Qianxin , Zhang Yuan , Tan Yangchun , Wang Jinbin , Zhong Xiangli , Huang Mingqiang , Zhong Gaokuo
Published: January 2024

Antiferroelectric thin films hold significant potential for bringing novel physics phenomena and fascinating properties. Their applications are often intertwined with the antiferroelectric‐ferroelectric phase transition, which is contingent on the chemical compositions of the constituent material. Nevertheless, the prevailing trial‐and‐error‐based research methodology is ill‐suited for the exploration of the relationship between chemical compositions and the antiferroelectric‐ferroelectric phase transition. To address this challenge, a high‐throughput synthesis strategy for antiferroelectric thin films is presented, which is enabled by an advanced high‐throughput pulsed laser deposition technology. The effectiveness of this synthesis strategy using (Pb1−XBaX)ZrO3 and achieving precise control over the parameter X is showcased. This approach allows for the deposition of (Pb1−XBaX)ZrO3 thin films encompassing nine chemical compositions ranging from X = 0 to X = 0.08. Based on this high‐throughput method, the composition that corresponds to the phase transition of (Pb1−XBaX)ZrO3, falling within the range of X = 0.04 to X = 0.06 is pinpointed. Furthermore, a temperature‐dependent correlation between the phase transition and chemical composition is established. This work not only presents a practical routine for establishing a comprehensive map of material chemical composition in relation to the properties of antiferroelectric thin films but also offers a method for the high‐throughput exploration of complex oxide thin films.
A Wearable Bracelet for Simultaneous Monitoring of Transcutaneous Carbon Dioxide and Pulse Rates
Authors: Cui Yaoxuan , Cao Qingpeng , Zheng Xubin , Dong Hao , Wang Jin , Xu Feng , Qian Libin , Wang Di
Published: January 2024

Daily monitoring of psychological parameters, encompassing chemical and physical signals, has become increasingly valuable for the management of chronic diseases. Among various vital signs, carbon dioxide exchange and pulse rate (PR) serve as critical indicators for the comprehensive assessment of the cardiopulmonary system. However, simultaneous monitoring of these chemical and physical signals in a nonintrusive manner is challenging. This study presents a wearable bracelet that enables simultaneous monitoring of transcutaneous carbon dioxide (TcCO2) and PR using a nanomaterials‐modified lensless CMOS imager. The proposed bracelet exhibits exceptional sensitivity, selectivity, and anti‐humidity interference in TcCO2 detection, and achieves reliable tracking of TcCO2 and PR fluctuations induced by daily activities, demonstrating great potential in the comprehensive assessment of cardiopulmonary system. In addition, the proposed compact imaging approach is multiplexed and extensible, providing a promising sensing platform for the future development of multifunctional wearable devices.
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

Transition 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

Introduction/Purpose

Ultrasound 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.

Methods

Echocardiography 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.

Results

The 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.

Conclusion

Free 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

Directional 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

Sequential 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

LiPF6 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

Modifying 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

The 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

Polyurethane 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

Smart 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

Industrial 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

A 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

Water 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

Enhanced 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

A 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

In 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

The 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.
Estimation of odds ratio from group testing data with misclassified exposure
Authors: Roy Surupa , Adhya Sumanta , Rana Subrata
Published: January 2024

For low prevalence disease, we consider estimation of the odds ratio for two specified groups of individuals using group testing data. Broadly the two groups may be classified as “the exposed” and “the unexposed.” Often in observational studies, the exposure status is not correctly recorded. In addition, diagnostic tests are rarely completely accurate. The proposed model accounts for imperfect sensitivity and specificity of diagnostic tests along with the misclassification in the exposure status. For model identifiability, we make use of internal validation data, where a subsample of reasonably small size is selected from the original sample by simple random sampling without replacement. Pseudo‐maximum likelihood method is employed for the estimation of the model parameters. The performance of group testing methodology is compared with individual testing for different parametric configurations. A limited data study related to COVID‐19 prevalence is performed to illustrate the methodology.
Mediation analysis with case–control sampling: Identification and estimation in the presence of a binary mediator
Authors: Doretti Marco , Genbäck Minna , Stanghellini Elena
Published: January 2024

With reference to a stratified case–control (CC) procedure based on a binary variable of primary interest, we derive the expression of the distortion induced by the sampling design on the parameters of the logistic model of a secondary variable. This is particularly relevant when performing mediation analysis (possibly in a causal framework) with stratified case–control (SCC) data in settings where both the outcome and the mediator are binary. Despite being designed for parametric identification, our strategy is general and can be used also in a nonparametric context. With reference to parametric estimation, we derive the maximum likelihood (ML) estimator and the M‐estimator of the joint outcome–mediator parameter vector. We then conduct a simulation study focusing on the main causal mediation quantities (i.e., natural effects) and comparing M‐ and ML estimation to existing methods, based on weighting. As an illustrative example, we reanalyze a German CC data set in order to investigate whether the effect of reduced immunocompetency on listeriosis onset is mediated by the intake of gastric acid suppressors.
Functional analysis screening for inappropriate mealtime behavior
Authors: Saini Valdeep , Broto Joan , Robbins Meaghan , Totino Micaela , Zorzos Carobeth
Published: January 2024

Inappropriate mealtime behavior (IMB) is a class of food refusal behavior that is commonly observed in children with neurodevelopmental disorders or avoidant/restrictive food intake disorder. An abundance of research has demonstrated that IMB is commonly maintained by negative reinforcement in the form of escape from food or drink presentation. Given the common association between IMB and escape as a reinforcer, more efficient methods of conducting functional analyses have been called for. The present study examined the extent to which indirect assessments and a functional analysis screening process reliably predicted an escape function in three children with autism spectrum disorder who engaged in IMB. The results of the two assessments were then compared to a standard functional analysis. For all participants, the functional analysis identified an escape function, which corresponded with both the indirect assessment and screening. Additionally, within‐session analyses of screening sessions further validated the screening process. The functional analysis screening of IMB is discussed in terms of its efficiency, practicality, and experimental design. The results of this study offer a framework for efficiently assessing the function of IMB, while providing recommendations for future research.
Close but Not Cozy: How Robust Conversations between the Chair and the CEO Can Enhance Board Performance
Authors: Bishop Kathryn
Published: January 2024

Kathryn Bishop is Associate Fellow at the Said Business School at the University of Oxford and co‐author of Board Talk: 18 crucial conversations that count inside and outside the boardroom. In this article, she explores the key aspects of the CEO/board chair relationship in effective organizations.
Assessment of early scientific research skills training for medical undergraduates in China
Authors: Liu Xueer , Chen Huiyu , Liu Xiaoying , Teng Teng , Li Xuemei , Zhu Dan , Zhou Xinyu
Published: January 2024

The medical field is facing a physician‐scientist shortage, threatening future medical research and development. Medical institutions can contribute to developing physician‐scientists by stimulating students' involvement in research. In this study, a medical undergraduate teaching module to develop research skills and encourage interest in research was held in Chongqing, China. Undergraduate medical students at Chongqing Medical University completed research skills training. Before and after the training, an online, anonymous, self‐reported questionnaire was administered. The self‐reported questionnaire investigated students' demographic characteristics, students' perception of attitudes toward conducting research, research skills (e.g., identifying and utilizing information, critical appraisal of literature, paper writing, and understanding of research), and feedback on scientific research training. The module was implemented with 25 students from July 2019 to October 2019, and 96.0% (N = 24) of participants responded to the questionnaire both prior to and after the training. In the evaluation of research skills, results showed that use of appropriate tools for research (Z = −3.340,p < 0.01), students' ability to undertake a focused literature search (Z = −3.40,p < 0.01), identifying and utilizing information (Z = −3.34,p < 0.01), and paper‐writing skills (Z = −3.49,p < 0.01) were significantly improved after the undergraduates participated in the scientific research training. A qualitative analysis of the feedback showed that students found that the training helped to enhance their knowledge, improve their study scores, and motivate them to conduct research in the future. Early scientific research ability training strengthened the research skills of medical undergraduates and motivated them to pursue research.
Multi‐focused laboratory experiments based on Quorum Sensing and Quorum Quenching for acquiring Microbial Physiology concepts
Authors: Torres Mariela Analía , Valdez Alejandra Leonor , de Lourdes Olea Carolina , Figueroa María Fernanda , Nieto‐Peñalver Carlos Gabriel
Published: January 2024

After a time away from the classrooms and laboratories due to the global pandemic, the return to teaching activities during the semester represented a challenge to both teachers and students. Our particular situation in a Microbial Physiology course was the necessity of imparting in shorter time, laboratory practices that usually take longer. This article describes a 2‐week‐long laboratory exercise that covers several concepts in an interrelated way: conjugation as a gene transfer mechanism, regulation of microbial physiology, production of secondary metabolites, degradation of macromolecules, and biofilm formation. Utilizing a Quorum Quenching (QQ) strategy, the Quorum Sensing (QS) system of Pseudomonas aeruginosa is first attenuated. Then, phenotypes regulated by QS are evidenced. QS is a regulatory mechanism of microbial physiology that relies on signal molecules. QS is related in P. aeruginosa to several virulence factors, some of which are exploited in the laboratory practices presented in this work. QQ is a phenomenon by which QS is interrupted or attenuated. We utilized a QQ approach based on the enzymatic degradation of the P. aeruginosa QS signals to evidence QS‐regulated traits that are relevant to our Microbial Physiology course. Results obtained with the same test performed by a random group of students before and after the activities show the positive effectiveness of the approach presented in this work.
Development of an ultra‐high‐performance liquid chromatography–tandem mass spectrometry method for the simultaneous determination of crassicauline A, fuziline, karacoline, and songorine in rat plasma and application in their pharmacokinetics
Authors: Chen Fan , Wang Ziyue , Luo Lvqi , He Yifan , Ma Yizhe , Wen Congcong , Wang Xianqin , Shen Xiuwei
Published: January 2024

In this paper, an ultra‐high‐performance liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) method was developed for quantifying the levels of crassicauline A, fuziline, karacoline, and songorine in rat plasma. After processing the rat plasma, the proteins in the plasma were separated by extracting the analytes with acetonitrile–methanol (9:1, v/v). The chromatographic column used was the UPLC HSS T3 column, and the mobile phase (methanol–water with 0.1% formic acid) under a gradient elution profile was used to separate the four compounds, with elution times for each analyte being less than 5 min. Electrospray ionization in positive‐ion mode and operating in multiple reaction monitoring mode was used for quantitative analysis. Crassicauline A, fuziline, karacoline, and songorine were administered to 48 rats (n = 6 per group) orally (5 mg/kg) and intravenously (0.5 mg/kg). The standard curves demonstrated excellent linearity in the range of 1–2500 ng/mL, wherein all r values were greater than 0.99. The UPLC–MS/MS method for the determination of crassicauline A, fuziline, karacoline, and songorine in rat plasma was successfully applied in determining their pharmacokinetics parameters, from which their oral bioavailabilities were calculated to be 18.7%, 4.3%, 6.0%, and 8.4%, respectively.
Advanced strategies for combinational immunotherapy of cancer based on polymeric nanomedicines
Authors: You Kaisheng , Wang Qi , Osman Mohamed Syazwan , Kim Dongpyo , Li Qian , Feng Chao , Wang Lei , Yang Kuikun
Published: January 2024

Although immunotherapy has revolutionized cancer therapy by providing efficient tumor growth suppression, long‐term protection from recurrence as well as minimized side effects, the low response rate significantly limits the clinical application of immunotherapy in board types of solid tumors. In order to improve the therapeutic efficacy, conventional therapies including radiotherapy, chemotherapy, phototherapy and chemodynamic therapy are employed to combine with immunotherapy to elicit stronger antitumor immune responses. Polymer nanomedicines are frequently utilized in synergistic immunotherapy and other therapies owing to their tunable physiochemical properties, high drug loading capacity, ease of modification and low toxicity. With elaborate design and tailored properties, polymer nanomedicines can significantly enhance antitumor efficacy by enhancing tumor specificity, priming immune cells and amplifying immune responses in tumors. However, until now, there is no review solely dedicated to the comprehensive development of polymer‐based platforms for combinational immunotherapy of cancers. Herein, this paper summarizes latest advances in the design, fabrication and application of polymer nanomedicines in combinational immunotherapy and traditional antitumor strategies including radiotherapy, chemotherapy, photothermal therapy, photodynamic therapy and other therapies. An outlook on the trajectory and potential challenges of polymer nanomedicines in bridging the gap between immunotherapy and conventional therapies is also discussed.
How can organizations measure the integration of environmental, social, and governance (ESG) criteria? Validation of an instrument using item response theory to capture workers' perception
Authors: Barbosa Anrafel de Souza , Crispim Maria Cristina , da Silva Luiz Bueno , da Silva Jonhatan Magno Norte , Barbosa Aglaucibelly Maciel , Morioka Sandra Naomi
Published: January 2024

Evaluation of corporate sustainability parameters has become part of organizational management. Item Response Theory (IRT) serves as a valuable approach for quantifying and exploring observable variables associated with these parameters. Therefore, this article aims to propose, apply, and validate an instrument utilizing IRT to measure environmental, social, and governance (ESG) impacts on corporate sustainability performance, using the perspective of workers. Workers were chosen as key stakeholders for the present study, as they were pointed by previous research as central to corporate sustainability decisions. The present paper addresses a literature gap by introducing, implementing, and validating a research instrument, along with a comparative scale, to assess the effects of integrating ESG criteria on corporate sustainability performance. Workers of two major Brazilian electricity sector companies were respondents for this instrument. Multigroup IRT method was used to assess item discrimination and difficulty levels, and to construct a scale reflecting workers' perceptions of integrating ESG criteria. The questionnaire consisted of 15 items, demonstrating Content Validity Coefficients (CVC) above .97, confirming the instrument's content effectiveness. Cronbach's Alpha and McDonald's Omega were greater than .94 for both companies. Questionnaire items demonstrated satisfactory discrimination ability and varying difficulty levels, resulting in a five‐level scale to gauge the impacts of ESG criteria. This research contributes through the introduction and validation of the research instrument, the latent trait assessment scale, and the evaluation of workers' perceptions regarding ESG criteria impacts on corporate sustainability performance. In conclusion, the proposed instrument showed robust psychometric properties, displaying favorable reliability and validity parameters. It effectively measures the impacts of ESG criteria, providing interpretable levels aligned with the unique characteristics of its constituent items
Pressures for sub‐supplier sustainability compliance: The importance of target markets in textile and garment supply chains
Authors: Fontana Enrico , Atif Muhammad , Sarwar Huma
Published: January 2024

We propose that sub‐supplier sustainability compliance in developing economies' textile and garment supply chains can be more effectively realized by understanding sub‐suppliers' target markets. We introduce the concept of sub‐suppliers' customer share of production as the share of production that sub‐suppliers sell to “exporting” direct suppliers that cater to the international market vis‐à‐vis “local” direct suppliers that cater to the domestic market. Through this concept and qualitative evidence, we offer a model outlining that as sub‐suppliers sell more to exporting direct suppliers, they encounter increased coercive, competitive, and collaborative pressures for sustainability compliance. This article contributes to the multi‐tier sustainable supply chain management literature by illustrating how target markets exert pressures for sub‐supplier sustainability compliance, and why some sub‐suppliers are more inclined to invest in sustainability compliance, some decouple from it, and others invest beyond compliance. We conclude with business strategy guidelines for managers in textile and garment supply chains.
Cellular metabolism: A key player in cancer ferroptosis
Authors: Jiang Xianjie , Peng Qiu , Peng Mingjing , Oyang Linda , Wang Honghan , Liu Qiang , Xu Xuemeng , Wu Nayiyuan , Tan Shiming , Yang Wenjuan , Han Yaqian , Lin Jinguan , Xia Longzheng , Tang Yanyan , Luo Xia , Dai Jie , Zhou Yujuan , Liao Qianjin
Published: January 2024

Cellular metabolism is the fundamental process by which cells maintain growth and self‐renewal. It produces energy, furnishes raw materials, and intermediates for biomolecule synthesis, and modulates enzyme activity to sustain normal cellular functions. Cellular metabolism is the foundation of cellular life processes and plays a regulatory role in various biological functions, including programmed cell death. Ferroptosis is a recently discovered form of iron‐dependent programmed cell death. The inhibition of ferroptosis plays a crucial role in tumorigenesis and tumor progression. However, the role of cellular metabolism, particularly glucose and amino acid metabolism, in cancer ferroptosis is not well understood. Here, we reviewed glucose, lipid, amino acid, iron and selenium metabolism involvement in cancer cell ferroptosis to elucidate the impact of different metabolic pathways on this process. Additionally, we provided a detailed overview of agents used to induce cancer ferroptosis. We explained that the metabolism of tumor cells plays a crucial role in maintaining intracellular redox homeostasis and that disrupting the normal metabolic processes in these cells renders them more susceptible to iron‐induced cell death, resulting in enhanced tumor cell killing. The combination of ferroptosis inducers and cellular metabolism inhibitors may be a novel approach to future cancer therapy and an important strategy to advance the development of treatments.