bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and application of Setaria viridis‐like heterostructures using nickel phyllosilicate decorating polyaniline nanorods: Toward the robust and wear‐resisting epoxy‐based composites
Authors: Jiang Liu , Nie Shibin , Yang Jinian , Dong Jie 
Published: September 2023

AbstractPerformance improvement to epoxy (EP)‐based composites is imperative yet a challenge for the application of high‐quality tribo‐materials. In this study, we reported the successful construction of a Setaria viridis‐like heterostructure using the fine nickel phyllosilicate lamellae to decorate the rod‐shaped polyaniline, and the corresponding polymer composites involving diverse mass ratios of EP resin and the heterostructures were prepared successively. The dry‐sliding tests confirmed the created composites had a significantly enhanced resistance to wear, and a concentration of 5% heterostructures dropped the wear rate to the lowest value of 1.5 × 10−5 mm3/Nm, which was ca. 78.6% lower than pure resin. The augmented wear resistance should be closely related to the enhanced strength, stiffness, and hardness. Moreover, the introduced heterostructures also improved the thermal stabilities of EP‐based composites, shifting the thermal decomposition to higher temperatures and restraining the mass loss rate to some extent. This study offered a promising pathway to develop high‐quality polymeric tribo‐materials.Highlights
A Setaria viridis‐like heterostructures of PANI@NiPS were facilely synthesized.
Adequate PANI@NiPS enhanced the tensile properties and hardness moderately.
PANI@NiPS showed a considerable positive influence on wear resistance.
PANI@NiPS improved the thermal stabilities of EP composites.
Chemical crosslinking regulating microstructure of lignin‐derived hard carbon for high‐performance sodium storage
Authors: He Jun , Lan Nan , Yu Huaibo , Du Dayue , He Hanna , Zhang Chuhong 
Published: September 2023

AbstractLignin, a biomass derived polymer, has gained considerable recognition as a highly promising precursor of hard carbon primarily due to its ample reserve, eco‐friendliness, and cost‐effectiveness. However, lignin‐derived hard carbon via direct carbonization generally yields suboptimal performance for sodium storage due to the unsuitable microstructure. Herein, a simple phytic acid activation combined high‐temperature annealing strategy is proposed to regulate the microstructure of lignin‐derived hard carbon for high‐performance sodium‐ion batteries (SIBs) anode. Phytic acid activation not only reduces the ordering and creates abundant closed pores through improving the crosslinking degree and thermal stability of lignin but also introduces P heteroatoms to effectively expand the interlayer spacing of the derived hard carbon. High‐temperature carbonization further increases the size of closed pores, leading to a more favorable sodium storage in the plateau region. Consequently, the optimal phytic acid activating lignin derived hard carbon (PLHC 1300) delivers a high capacity of 380.3 mAh g−1 with an enhanced plateau capacity ratio of near 68.1% at 30 mA g−1, and achieves a capacity retention of near 100% after 150 cycles at 1 A g−1. This work significant advances the application of lignin in energy storage and contributes to the progression of commercial SIBs.
Self‐organized pattern formation and plasma diagnosis in atmospheric pressure helium glow discharges with a liquid anode
Authors: Qin Xiaoru , Feng Bowen , Wang Ruoyu , Ma Yupengxue , Zhang Qing , Zhong Xiaoxia 
Published: September 2023

AbstractA negative DC high voltage is used to generate plasma at ambient condition. Self‐organized patterns (SOPs) are formed on the surfaces of the liquid anodes. With increased current or gap distance or reduced gas flow rate, the diameters of SOPs increase and SOPs become more complex, coinciding along with an increases of gas temperature and plasma radius and a decrease of electron density. Both plasma expansion and liquid evaporation in terms of gas temperature, lead to a drop of electron density and pattern formation. Our research elucidates the correlation between SOPs evolution and plasma properties and clarifies the physical process of SOPs formation based on the interaction between atmospheric pressure plasma and liquid anodes.
How large must a dose‐optimization trial be?
Authors: Norris David C. 
Published: September 2023

AbstractRecently promulgated Draft Guidance from the US Food and Drug Administration Oncology Center of Excellence (OCE) recommends randomized, parallel dose–response trials for “dose optimization,” but with vaguely stated aims that engage none of the statistical principles which typically attend randomization. Here, I advance a criterion for reasonable precision of such trials, and examine its implications for minimum enrollment, within a utility‐based framework that acknowledges interindividual heterogeneity simultaneously in pharmacokinetics/pharmacodynamics and in the subjective evaluation of efficacy‐toxicity trade‐offs. Even when designed and conducted under ideal circumstances, reasonably sized trials of the kind advocated by OCE may need to enroll many hundreds of participants.
Flavonoids as promising anticancer therapeutics: Contemporary research, nanoantioxidant potential, and future scope
Authors: Gupta Mukta , Ahmad Javed , Ahamad Javed , Kundu Snehashis , Goel Archit , Mishra Awanish 
Published: September 2023

AbstractFlavonoids are natural polyphenolic compounds considered safe, pleiotropic, and readily available molecules. It is widely distributed in various food products such as fruits and vegetables and beverages such as green tea, wine, and coca‐based products. Many studies have reported the anticancer potential of flavonoids against different types of cancers, including solid tumors. The chemopreventive effect of flavonoids is attributed to various mechanisms, including modulation of autophagy, induction of cell cycle arrest, apoptosis, and antioxidant defense. Despite of significant anticancer activity of flavonoids, their clinical translation is limited due to their poor biopharmaceutical attributes (such as low aqueous solubility, limited permeability across the biological membranes (intestinal and blood‐brain barrier), and stability issue in biological systems). A nanoparticulate system is an approach that is widely utilized to improve the biopharmaceutical performance and therapeutic efficacy of phytopharmaceuticals. The present review discusses the significant anticancer potential of promising flavonoids in different cancers and the utilization of nanoparticulate systems to improve their nanoantioxidant activity further to enhance the anticancer activity of loaded promising flavonoids. Although, various plant‐derived secondary metabolites including flavonoids have been recommended for treating cancer, further vigilant research is warranted to prove their translational values.
Density functional theory study of the isomerization conversion of the cluster ConMoS (n = 1–5)
Authors: Wang Zhi‐Yao , Fang Zhi‐Gang , Wang Jie , Liu Li‐E , Wu Ting‐Hui , Song Jia 
Published: September 2023

AbstractTo investigate the isomerization transition of cluster ConMoS (n = 1–5), we employ density functional theory and transition state theory methods in this study. The cluster is optimized at the B3LYP/def2tzvp quantum chemical level. The results reveal eight isomerization reactions for the clusters ConMoS (n = 3, 5). Analyzing the activation energies shows a greater propensity for the isomerization transformation in the forward reaction compared to the reverse reaction. At room temperature, six isomerization transformation processes exhibit rapid conversion to the product configurations. Investigation of the equilibrium constants and application of the Arrhenius formula demonstrate that the cluster isomerization reactions are primarily driven by the forward reactions, with four reactions displaying efficient reactant to product conversion rates. Furthermore, there exists a consistent relationship between the structural complexity of the cluster and the change in entropy value. This study provides theoretical insights into reaction rates and optimization of reaction pathways, facilitating mutual validation and development between experimental and theoretical approaches.
Defining the term “Brownfield” in India
Authors: Verma Nihal S. , Banerji Haimanti 
Published: September 2023

AbstractBrownfields are viewed as an opportunity for sustainable development. Researchers across the world have argued about the benefits of brownfield redevelopment. However, India is still in the initial stages of defining brownfields, as no attempts have ever been made by researchers to define it and no definition is available for it in the Indian context. The main objective of this study is to derive a definition for a brownfield and fill the gap. We used the Delphi technique involving a panel of experts from relevant fields posted in governmental agencies and organizations. A list of eight keywords, derived from the definition of brownfields from various countries, and two keywords recommended by experts were rated in multiple rounds. Statistical validation for the responses was established using gray relational analysis and relative to identified distribution (RIDIT) analysis. A significant finding of this study is the importance given by the Indian experts to the “condition of the land” while attempting to define a brownfield. With a proposed definition “previously used, derelict, or polluted land is identified as a brownfield,” this research represents an attempt to provide further avenues for research on brownfields for sustainable cities in India.
Classification of longitudinal profiles using semi‐parametric nonlinear mixed models with P‐Splines and the SAEM algorithm
Authors: Márquez Maritza , Meza Cristian , Lee Dae‐Jin , De la Cruz Rolando 
Published: September 2023

AbstractIn this work, we propose an extension of a semiparametric nonlinear mixed‐effects model for longitudinal data that incorporates more flexibility with penalized splines (P‐splines) as smooth terms. The novelty of the proposed approach consists of the formulation of the model within the stochastic approximation version of the EM algorithm for maximum likelihood, the so‐called SAEM algorithm. The proposed approach takes advantage of the formulation of a P‐spline as a mixed‐effects model and the use of the computational advantages of the existing software for the SAEM algorithm for the estimation of the random effects and the variance components. Additionally, we developed a supervised classification method for these non‐linear mixed models using an adaptive importance sampling scheme. To illustrate our proposal, we consider two studies on pregnant women where two biomarkers are used as indicators of changes during pregnancy. In both studies, information about the women's pregnancy outcomes is known. Our proposal provides a unified framework for the classification of longitudinal profiles that may have important implications for the early detection and monitoring of pregnancy‐related changes and contribute to improved maternal and fetal health outcomes. We show that the proposed models improve the analysis of this type of data compared to previous studies. These improvements are reflected both in the fit of the models and in the classification of the groups.
Direct Determination of the Aluminum Content in Antiperspirants Using Digital Image Colorimetry
Authors: Teixeira Gustavo G. , Virgilio Alex , Santos Poliana M. 
Published: September 2023

AbstractIn this work a dilute‐and‐shoot procedure using digital image colorimetry (DIC) was evaluated for the determination of aluminum in antiperspirants. Derivatization was performed by means of the reaction between Al(III) and Alizarin Red S (ARS) reagent. Digital images were acquired using a table scanner and the average values for red, green and blue channels (RGB) were obtained. Optimal conditions were set at pH=4.5, ARS concentrations 10‐fold higher than Al(III) and using the G channel. The method presented linearity in the 2.0–10.0 mg L−1 range, the limit of detection (LOD) was 1.1 mg L−1 and precision was better than 2.55 %. Accuracy was checked by the analysis of spiked samples at 2.0 and 4.0 mg L−1 Al(III), and good recoveries (82.6–117.5 %) were obtained. Eight samples of roll‐on antiperspirants were analyzed by the proposed colorimetric method and the well‐stablished flame atomic absorption spectrometry (FAAS) comparative method. The obtained results were not statistically different at 95 % confidence level. An analytical greenness assessment was performed for both methods and the procedure based on digital image colorimetry was proven to be a greener approach due to miniaturization, low sample consumption, least amount of waste and high sample throughput.
Recent Synthetic and Biological Developments on 1,2,4‐Triazolopyrimidines
Authors: Kaushik Parul , Kumar Ravinder , Khokhar Shiwani , Dhiman Sukhvinder , Kamal Raj 
Published: September 2023

Abstract1,2,4‐Triazolopyrimidines scaffold spaciously acknowledged with anticancer, antimalarial, antitubercular and many other fascinating biological applications in recent years (2015–2022). Moreover, numerous mild synthetic methodologies reported, which has been summarized as (i) condensation of 2‐amino‐1,2,4‐triazole or 5‐amino‐1,2,4‐triazole with 1,3‐dielectrophilic equivalents like 1,3‐diketones, β‐ketoester (ii) oxidative‐cyclization of hydrazones or related analogues. This review would flourish the synthetic and medicinal chemist to design more bioactive 1,2,4‐triazolopyrimidines molecules for drug development with enhanced binding interactions, structural features with the help discussed SAR and cost effective methodologies in the coming years.
A CoFe2 Alloy‐Functionalized Few‐Layer Graphene Sheet Nanocomposite as an Electrocatalyst of the Oxygen Reduction Reaction
Authors: Guo Xiqiong , Yuan Fangying , Wang Peixi , Li Runqiu , Zheng Hui 
Published: September 2023

AbstractSearching for a high‐efficiency, recycled and cheap catalytic material for oxygen reduction reaction (ORR) is urgently needed in fuel cells. In this study, we successfully fabricated a nanocomposite consisting of CoFe2 alloy functionalized few‐layer graphene sheets (CoFe2/FLGs) by employing ferric nitrate, cobalt nitrate, and glucose as precursors. Various measurements conducted in this research confirm that the nanosized CoFe2 alloy particles are evenly dispersed within the FLGs and possess significant magnetism. Electrochemical measurements reveal that the CoFe2/FLGs exhibit a high positive onset potential (0.901 V), follow a four‐electron pathway, display a low Tafel slope (77.21 mV/dec), possess a low charge‐transfer resistance (∼72 Ω), and exhibit strong methanol tolerance. Consequently, the resulting CoFe2/FLGs nanocomposite demonstrates excellent electrocatalytic performance and recyclability for the ORR, positioning it as a promising catalyst for fuel cells.
α‐Hydrogen spirocyclic alkoxyamines synthesis: ESR verified Nitroxides generation and their potential application in NMP polymerization
Authors: Guerrero‐Caicedo Alejandro , Pardo‐Tamayo Juan S. , Romero Elkin L. , Zuluaga Fabio , Echegoyen Luis , Jaramillo‐Gómez Luz M. 
Published: September 2023

AbstractHerein, we report a synthetic methodology towards the construction of new cylic alkoxyamines without the prior obtention of their respective nitroxides. These systems are constituted by an indene core connected to a pyrrolidine nucleus through a spiro carbon atom, containing an adjacent α‐hydrogen to the N atom, in order to exhibit the 1‐azaspiro[4.4]nonane frame. Alkoxyamines were synthesised by a free radical‐based spirocyclization, starting from functionalized oxime ethers, involving aryl and neutral alkoxyaminyl radicals in 16–40 % yields. Then, the novel spirocyclic aminoxyl radicals (nitroxides) were detected in ESR spectra, when alkoxyamines were subjected by the thermal homolytic cleavage of their −C−O−N− bond. In general, the temperatures found were in accordance with the increase in the stability of the carbon‐centred radical for the same type of nitroxides. In addition, a spirocyclic alkoxyamine 8 b with α‐hydrogen was employed as initiators/mediators in the styrene bulk homopolymerization, obtaining high conversions and relatively narrow dispersity (Ð~1.5). This suggests that the synthetic methodology used in this research work to obtain α‐hydrogen spirocyclic alkoxyamines would have the potential to be applied in nitroxide‐mediated polymerization (NMP).
AIE‐Active ‘Turn‐On’ Sensors for Highly Selective Detection of Bovine Serum Albumin**
Authors: Gawade Vilas K. , Jadhav Ratan W. , Singh Prabhat K. , Bhosale Sheshanath V. 
Published: September 2023

AbstractTetraphenylethylene (TPE)‐based, two molecular ‘Turn‐On’ probes i. e. 4,4′,4′′,4′′′‐(ethene‐1,1,2,2‐tetrayl)tetraphenol (tetrahydroxy‐TPE, coded as: TPE‐1) 4,4′,4′′,4′′′‐(ethene‐1,1,2,2‐tetrayl)tetraaniline and tetraamino‐TPE, coded as: TPE‐2) have been successfully reported for the selective detection of bovine serum albumin (BSA) over its other biological competitors. The BSA sensing has been investigated using UV‐Vis absorption and fluorescence emission spectroscopy, where the fluorescence of probes tetrahydroxy‐TPE and tetra‐amino‐TPE was significantly enhanced in the presence of BSA. The BSA sensing was also characterized by visual eye detection, where a significant color change of probe tetrahydroxy‐TPE and tetra‐amino‐TPE was observed with BSA. The detection limit for BSA was calculated to be 0.2 nM and 1.41 nM for using probes tetrahydroxy‐TPE and tetra‐amino‐TPE, respectively. The binding constant was observed to be1.8×103 M and 1.4×103 M for probes tetrahydroxy‐TPE and tetra‐amino‐TPE, respectively. A molecular docking study is also performed to investigate the detailed interactions between probes tetrahydroxy‐TPE and tetra‐amino‐TPE with BSA. The lowest binding energy conformation for probes tetrahydroxy‐TPE and tetra‐amino‐TPE was found at −8.1 kcal/mol and −8.2 kcal/mol, respectively.
Vanadium Hexacyanoferrate Prussian Blue Analogs for Aqueous Proton Storage: Excellent Electrochemical Properties and Mechanism Insights
Authors: Yang Jun , Hou Wenxiu , Ye Lingqian , Hou Guoyu , Yan Chao , Zhang Yu 
Published: September 2023

AbstractThe significant attraction toward aqueous proton batteries (APBs) is attributable to their expedited kinetics, elevated safety profile, and economical feasibility. Nevertheless, their practical implement is significantly blocked by the unsatisfactory energy density due to the limited cathode materials. Herein, vanadium hexacyanoferrate Prussian blue analog (VOHCF) is introduced as a potentially favorable cathode material for APBs. The findings demonstrate that this VOHCF electrode exhibits a notable reversible capacity of 102.7 mAh g−1 and exceptional cycling stability, with 95.4% capacity retention over 10 000 cycles at 10 A g−1. It is noteworthy that this is the detailed instance of VOHCF being proposed as a cathode for APBs. Combining the in situ characterization techniques and theoretical simulations, the origins of excellent proton storage performance are revealed as the multiple redox mechanisms with double active centers of ─C≡N group and V═O bond in VOHCF as well as the robust structure stability. A proton full cell with excellent performance is further achieved by coupling the VOHCF cathode and diquinoxalino[2,3‐a:2′,3′‐c] phenazine (HATN) anode, demonstrating the great potential of VOHCF in practical applications. This work could provide fundamental understanding to the development of feasible cathode materials for proton storage device.
In situ observation of electrochemical reaction of Zn primer steel plate in NaCl solution using confocal micro‐x‐ray fluorescence imaging
Authors: Matsuyama Tsugufumi , Sonoda Shota , Fuchita Tomoki , Sakashita Shinji , Tsuji Kouichi 
Published: September 2023

AbstractSteel plates have been widely used in bridges, vehicle bodies, guardrails, and so forth. Generally, to improve corrosion resistance, the surface of a steel plate is coated with a Zn layer. However, when the coated steel plate is scratched by external factors, the corrosion resistance decreases. Therefore, it is important to elucidate the elution processes of elements in coated layers and steel plates to develop new coated films and improve corrosion‐resistant techniques. During corrosion, an elution reaction between the coated metal and Fe (anodic reaction) and a reduction reaction of oxygen (cathodic reaction) occur. Confocal micro‐x‐ray fluorescence imaging was employed to visualize the elution processes at the anodic and cathodic steel plates. A Zn primer steel plate was scratched and then immersed in sodium chloride solution. The Zn elution process at the anodic side was observed when a constant current was applied to the two steel plates by a galvanostat. The Fe elution process did not occur, and we believe that the sacrificial protection of Zn inhibited the process. The elutions of Zn and Fe were not observed on the cathodic side of the steel plate. Using the proposed method, we successfully visualized the elemental distributions at the anodic and cathodic sides of the steel plates.
A Concept of Precise VLBI/GNSS Ties with Micro-VLBI
Authors: Petrov Leonid , York Johnathan , Skeens Joe , Ji-Cathriner Richard , Munton David , Herrity Kyle 
Published: September 2023

AbstractWe present here a concept of measuring local ties between collocated GNSS and VLBI stations using the microwave technique that effectively transforms a GNSS receiver to an element of a VLBI network. This is achieved by modifying the signal chain that allows to transfer voltage of the GNSS antenna to a digitizer via a coaxial cable. We discuss the application of this technique to local tie measurement. We have performed observations with a GNSS antenna and FD-VLBA radiotelescope and detected a strong interferometric signal from both radiogalaxies and GNSS satellites.