bluuebunny/crossref_metadata_2025 huggingface dataset:
Engineering of Polystyrene/BiFeO3 0–3 Thin Film Nanocomposites for Mechanical Energy Harvesting
Authors: Masiuchok Olha , Otulakowski Łukasz , Olszowska Karolina , Chaber Paweł , Foryś Aleksander , Buinova Yevheniia , Kolisnyk Roman , Myalska‐Głowacka Hanna , Szperlich Piotr , Toroń Bartłomiej , Szeluga Urszula , Godzierz Marcin
Published: May 2024

This work describes impact of concentration of BiFeO3 submicrometric particles on piezoelectric performance and structural characteristics of 0–3 polymer composites with a polystyrene matrix. Bismuth ferrite particles are fabricated using reverse co‐precipitation method, followed by ultrasonic dispersion in a solvent to break up agglomerates formed during sintering, resulting in particles with a size of ≈200 nm. It is found that concentrations higher than 10 wt% BiFeO3 lead to a disturbance in natural organization of polystyrene. The hindered organization of side‐groups by submicrometric filler, occurring during solvent evaporation, strongly affects the mechanical properties of the finalcomposite, significantly increasing Young's modulus and tensile strength, but decreasing elongation. Such behavior is detected and described for the firsttime in literature. Piezoelectric examinations show that the thermal depolarization of nanogenerators has a different impact depending on the amountof piezoelectric phase. The study reveals that a voltage of over 4.8 V is generated when dynamic air pressure is applied at 11.54 bar for the composite containing only 2.5 wt% BiFeO3. For composites with 10% weight fraction or lower, decrease in generated voltage after thermal depolarization is about 24%, while for higher weight fractions (15 and 20 wt%) the decrease is around 35%.
Microfabrication through Self‐Ordering of Cracks: Mechanism, Upscaling and Application for Transparent Electrodes
Authors: Thorimbert Fanny , Brachfeld Ambre , Odziomek Mateusz , Boissière Cédric , Amenitsch Heinz , Naumenko Denys , Mattana Giorgio , Baccile Niki , Faustini Marco
Published: May 2024

When drying a colloidal solution, cracks appear in the resulting colloidal film. In certain cases, spontaneous order is observed, and cracks form arrays of periodic patterns. Although this phenomenon might be envisioned as a patterning method, overcoming practical challenges is necessary to transform it into a technological tool for microfabrication. This study explores various technological aspects aimed at leveraging the self‐assembly of cracks as a scalable microfabrication tool for large‐scale device production. Through a series of analyses, including time‐resolved Grazing‐Incidence Small‐Angle X‐Ray Scattering (GISAXS), it is offered novel insights into controlling the crack self‐ordering mechanism, minimizing defects, and implementing strategies for large‐scale patterning and pattern transfer. The process proves to be surprisingly robust, maintaining its efficacy with the same colloidal solution even after two years. By introducing biphasic dip‐coating, large‐scale crack patterns up to 100 cm2, while preserving their periodicity and ordering is achieved. As a proof of concept, the use of crack‐patterned colloidal films as masks for fabricating metallic sub‐micrometer objects, that serve as transparent electrodes with adjustable transparency and conductivity is showcased. Overall, this method presents significant advantages over conventional lithography, being cost‐effective, versatile, environmentally friendly, and scalable, thereby offering new perspectives for diverse applications requiring cost‐effective and large‐scale patterning.
Deep Batch Integration and Denoise of Single‐Cell RNA‐Seq Data
Authors: Qin Lu , Zhang Guangya , Zhang Shaoqiang , Chen Yong
Published: May 2024

Numerous single‐cell transcriptomic datasets from identical tissues or cell lines are generated from different laboratories or single‐cell RNA sequencing (scRNA‐seq) protocols. The denoising of these datasets to eliminate batch effects is crucial for data integration, ensuring accurate interpretation and comprehensive analysis of biological questions. Although many scRNA‐seq data integration methods exist, most are inefficient and/or not conducive to downstream analysis. Here, DeepBID, a novel deep learning‐based method for batch effect correction, non‐linear dimensionality reduction, embedding, and cell clustering concurrently, is introduced. DeepBID utilizes a negative binomial‐based autoencoder with dual Kullback–Leibler divergence loss functions, aligning cell points from different batches within a consistent low‐dimensional latent space and progressively mitigating batch effects through iterative clustering. Extensive validation on multiple‐batch scRNA‐seq datasets demonstrates that DeepBID surpasses existing tools in removing batch effects and achieving superior clustering accuracy. When integrating multiple scRNA‐seq datasets from patients with Alzheimer's disease, DeepBID significantly improves cell clustering, effectively annotating unidentified cells, and detecting cell‐specific differentially expressed genes.
Organic–Inorganic Hybrid Perovskite Ferroelectric Nanosheets Synthesized by a Room‐Temperature Antisolvent Method
Authors: Sha Tai‐Ting , Zhang Xing‐Chen , Zhou Ru‐Jie , Du Guo‐Wei , Xiong Yu‐An , Pan Qiang , Yao Jie , Feng Zi‐Jie , Gao Xing‐Sen , You Yu‐Meng
Published: May 2024

Over the past years, the application potential of ferroelectric nanomaterials with unique physical properties for modern electronics is highlighted to a large extent. However, it is relatively challenging to fabricate inorganic ferroelectric nanomaterials, which is a process depending on a vacuum atmosphere at high temperatures. As significant complements to inorganic ferroelectric nanomaterials, the nanomaterials of molecular ferroelectrics are rarely reported. Here a low‐cost room‐temperature antisolvent method is used to synthesize free‐standing 2D organic–inorganic hybrid perovskite (OIHP) ferroelectric nanosheets (NSs), that is, (CHA)2PbBr4 NSs (CHA = cyclohexylammonium), with an average lateral size of 357.59 nm and a thickness ranging from 10 to 70 nm. This method shows high repeatability and produces NSs with excellent crystallinity. Moreover, ferroelectric domains in single NSs can be clearly visualized and manipulated using piezoresponse force microscopy (PFM). The domain switching and PFM‐switching spectroscopy indicate the robust in‐plane ferroelectricity of the NSs. This work not only introduces a feasible, low‐cost, and scalable method for preparing molecular ferroelectric NSs but also promotes the research on molecular ferroelectric nanomaterials.
Solvent‐Assisted Surface Modification Using Metallocene‐Based Molecules for High‐Efficiency Perovskite/Silicon Tandem Solar Cells
Authors: Wang Chang , Wang Shibo , Shi Wei , Su Zhaojun , Gao Kun , Cao Fengxian , Xu Dacheng , Lou Xinliang , Wang Xinyu , Li Kun , Li WenHao , Chen Xiang , Li Haicheng , Li Wenhao , Tong Anling , Xiao Yongtian , Liu Jiang , Zhang Xiaohong , Yang Juan , Yang Xinbo
Published: May 2024

The presence of a high density of defects at the perovskite/electron transport layer (ETL) interface results in significant nonradiative recombination losses, thus impeding the efficiency enhancement of perovskite/silicon tandem solar cells (TSCs). In this investigation, a metallocene‐based molecule, cobalt (III) dichlorophene hexafluorophosphate (CcPF6), is employed for perovskite surface passivation. To maximize its efficacy, the molecule is dissolved in a mixed solvent of acetonitrile and chlorobenzene, leading to the reconstruction of the perovskite surface and effective passivation of surface defects. This modification strategy substantially enhances the overall efficiency of perovskite/silicon tandem solar cells by mitigating the issue of low fill factor resulting from non‐uniform coating of the top perovskite layer on the textured silicon bottom cell. Leveraging a double‐sided textured silicon heterojunction (HJT) bottom cell, a certified power conversion efficiency (PCE) of 30.43% for a monolithic perovskite/silicon TSC (1.00 cm2) is achieved, featuring an open‐circuit voltage (Voc) of 1.93 V and a fill factor (FF) of 78.43%. After storage in the drying cabinet (5% humidity at 20 °C) for 1000 h, the device retains 94.27% of its initial performance.
Integrating genetic and socioeconomic data to predict the progression of nonalcoholic fatty liver disease
Authors: Rieman‐Klingler Maria C. , Jung Jinho , Tesfai Kaleb , Loomba Rohit , Non Amy L.
Published: May 2024

Objectives

Nonalcoholic fatty liver disease (NAFLD) is the leading cause of chronic liver disease globally, with an estimated prevalence exceeding 25%. Variants in thePNPLA3andHSD17B13genes have been a focus of investigations surrounding the etiology and progression of NAFLD and are believed to contribute to a greater burden of disease experienced by Hispanic Americans. However, little is known about socioeconomic factors influencing NAFLD progression or its increased prevalence among Hispanics.

Materials and Methods

We cross‐sectionally analyzed 264 patients to assess the role of genetic and socioeconomic variables in the development of advanced liver fibrosis in individuals at risk for NAFLD.

Results

Adjusting for age, sex, body mass index, andPNPLA3genotype, lacking a college degree was associated with 3.3 times higher odds of advanced fibrosis (95% confidence interval [CI]: 1.21–8.76,p = 0.019), an effect comparable to that of possessing the majorPNPLA3risk variant. Notably, the effect ofPNPLA3genotype on advanced fibrosis was attenuated to nonsignificance following adjustment for education and other socioeconomic markers. The effect of the protectiveHSD17B13variant, moreover, diminished after adjustment for education (odds ratio [OR]: 0.39 [95% CI: 0.13–1.16,p = 0.092]), while lower education continued to predict advanced fibrosis following multivariable adjustment with an OR of 8.0 (95% CI: 1.91–33.86,p = 0.005).

Discussion

Adjusting for education attenuated the effects of genotype and Hispanic ethnicity on liver fibrosis, suggesting that social factors—rather than genes or ethnicity—may be driving disease severity within some populations. Findings reveal the importance of including socioenvironmental controls when considering the role of genetics or ethnicity in complex disease.
Catalytic Nitrogen Fixation Using Well‐Defined Molecular Catalysts under Ambient or Mild Reaction Conditions
Authors: Tanabe Yoshiaki , Nishibayashi Yoshiaki
Published: May 2024

Ammonia (NH3) is industrially produced from dinitrogen (N2) and dihydrogen (H2) by the Haber–Bosch process, although H2 is prepared from fossil fuels, and the reaction requires harsh conditions. On the other hand, microorganisms have fixed nitrogen under ambient reaction conditions. Recently, well‐defined molecular transition metal complexes have been found to work as catalyst to convert N2 into NH3 by reactions with chemical reductants and proton sources under ambient reaction conditions. Among them, involvement of both N2‐splitting pathway and proton‐coupled electron transfer is found to be very effective for high catalytic activity. Furthermore, direct electrocatalytic and photocatalytic conversions of N2 into NH3 have been recently achieved. In addition to catalytic formation of NH3, selective catalytic conversion of N2 into hydrazine (NH2NH2) and catalytic silylation of N2 into silylamines have been reported. Catalytic C−N bond formation has been more recently established to afford cyanate anion (NCO−) under ambient reaction conditions. Further development of direct conversion of N2 into nitrogen‐containing compounds as well as green ammonia synthesis leading to the use of ammonia as an energy carrier is expected.
Chemoselective and Stereoselective Allylation of Bis(alkenyl)boronates
Authors: Tran Minh‐Khoa , Ready Joseph M.
Published: May 2024

Bis(alkenyl)boronates react with optically active Ir(π‐allyl) species in a process that involves allylation of the more substituted olefin and 1,2‐metalate shift of the less substituted olefin. The method constructs valuable enantioenriched tertiary allylic boronic esters with high chemoselectivity, enantioselectivity and diastereoselectivity. Allylic functionalization reactions transform the 1,3‐stereodiad to 1,5‐ and 1,6‐stereochemical relationships.
Tube‐in‐Tube Structure Design and In‐situ Growth of Fe3C for Efficient Reaction Kinetics in Lithium‐Sulfur Batteries
Authors: Sun Miao , Luo Jin , Wang Shuang , Wang Yinhua , Zhang Haijun , Lei Wen
Published: May 2024

To improve the sulfur reaction kinetics and inhibit the notorious shuttle effects, a tube‐in‐tube structure decorated by carbon nanotubes (CNT) and Fe3C nanoparticles (TIT/Fe3C‐CNT) is designed as sulfur host for lithium‐sulfur batteries (LSBs) in this work. The construction of tube‐in‐tube structure increases the active sites and the specific surface area of the material. Additionally, Fe3C nanoparticles can effectively adsorb the soluble lithium polysulfides and promote their catalytic conversion, thus greatly alleviating the shuttle effects. As a result of these advantages, the TIT/Fe3C‐CNT‐based cathode exhibits a high reversible capacity of 841 mAh g−1 after 200 cycles with a low decay of 0.056 % per cycle at 0.5 C. This work provides a promising and reasonable approach to the rational design of sulfur host for LSBs.
Study on fingerprint and quantitative analysis of Verbena officinalis water extract by LC–MS and HPLC
Authors: Feng Rui , Wang Sheng , Wang Zhu , Liu Tongtong , Zhang Guodong , Xu Songbing , Ma Taotao , Lv Xiongwen , Zhang Lei
Published: May 2024

Verbena officinalis L. as a medical plant has been used to treat many diseases. However, the quality control underlying V. officinalis remains to be studied. HPLC fingerprint analysis and the qualitative and quantitative analysis of water extract from V. officinalis were carried out, and it was found that the quality varies according to habitat and batch. Verbenalin could be a crucial component in the quality evaluation of V. officinalis. This study contributes to better understanding of quality control for V. officinalis.
Terminology of the growing bone: A historical study
Authors: Naňka Ondřej , Bartoníček Jan
Published: May 2024

Division of the growing long bone into individual basic parts, that is, diaphysis, metaphysis, physes and epiphyses, has become generally accepted and used. However, the origin of these terms is almost unknown. Therefore, we have analyzed the literature in order to identify their sources. The terms epiphysis and apophysis have been used since the time of Hippokrates, although with different meanings. During the time of Galen, the term apophysis was used to describe all types of bone processes, and epiphyses denoted articular ends. The term diaphysis denoting the middle cylindrical part of the long bone was used for the first time by Heister in 1717. The first to use the term metaphysis was Theodor Kocher in his books on gunshot wounds and on bone inflammation of 1895. On the basis of Kocher's study, Lexer published a radiological study of the vascular supply to bones in which he defined metaphyseal blood vessels as a separate group supplying a particular part of the long bone. The epiphyseal growth plate had no particular name from the time of its first description in 1836. During the second half of 19th century, this structure acquired different names. The term “physis” was therefore introduced in 1964 by the American radiologist Rubin in order to label the growth structure between metaphysis and epiphysis clearly. One year later, the term physis also appeared in the radiological literature, and during the following decades it spread in the orthopedic literature.
Tropane Alkaloid Isolated from Erythroxylum bezerrae Exhibits Neuropharmacological Potential in an Adult Zebrafish (Danio rerio) Model
Authors: Ribeiro Liberato Hortência , Bezerra Maciel Jéssica , Wlisses Da Silva Antônio , Freitas da Silva Ana Eloysa , San De Oliveira Brito Luana , Silva Jacilene , Sydney Henrique da Silva Francisco , Bezerra Arnaldo S. , Kuerislene Amâncio Ferreira Maria , Machado Marinho Marcia , Silva Marinho Gabrielle , Deusdênia Loiola Pessoa Otília , Goberlânio De Barros Silva Paulo , Noronha Coelho‐de‐souza Andrelina , Florindo Guedes Izabel , Ferreira de Castro Gomes Andreia , Eire Silva Alencar De Menezes Jane , Silva Santos Hélcio
Published: May 2024

This study carried out to investigate the anti‐inflammatory and antinociceptive effect of tropane alkaloid (EB7) isolated from E. bezerrae. It evaluated the toxicity and possible involvement of ion channels in the antinociceptive effect of EB7, as well as its anti‐inflammatory effect in adult zebrafish (Zfa). Docking studies with EB7 and COX‐1 and 2 were also performed. The tested doses of EB7 (4, 20 and 40 mg/kg) did not show any toxic effect on Zfa during the 96h of analysis (LD50>40 mg/kg). They did not produce any alteration in the locomotor behavior of the animals. Furthermore, EB7 showed promising pharmacological effects as it prevented the nociceptive behavior induced by hypertonic saline, capsaicin, formalin and acid saline. EB7 had its analgesic effect blocked by amiloride involving the neuromodulation of ASICs in Zfa. In evaluating the anti‐inflammatory activity, the edema induced by κ‐carrageenan 3.5 % was reduced by the dose of 40 mg/kg of EB7 observed after the fourth hour of analysis, indicating an effect similar to that of ibuprofen. Molecular docking results indicated that EB7 exhibited better affinity energy when compared to ibuprofen control against the two evaluated targets binding at different sites in the cocrystallized COX‐1 and 2 inhibitors.
Carbon Dioxide Capturing in Temperature/Pressure Swing‐Commercial Processes Using Ionic Liquids
Authors: Rather Sami‐ullah , Taimoor Aqeel Ahmad , Saeed Usman , Siddiqui Muhammad Ehtisham , Bamufleh Hisham S.
Published: May 2024

Capturing carbon dioxide is vital for mitigating global warming and supporting chemical processes. Ionic liquids (ILs) have emerged as promising solvents for CO2 capture. Using ASPEN simulation software, this study explores three specific ILs: [emim][triflate], [bmim][MeSO3], and [bmim][NTf2]. Their selection is based on exploitable differences in energy. The study models CO2 solubility and validates it against published data. It also considers the decomposition of ILs using a more accurate vapor loss model. Simulated equations predict CO2 and IL behavior more accurately than published ASPEN studies, optimizing the process for minimal energy consumption. Commercial considerations and rigorous engineering calculations guide the analysis, encompassing energy and economic factors.
Influence of Slip Boundary Conditions on Jeffrey Fluid Flow in Tapered Conduit with Hall Current and Soret–Dufour Effects
Authors: Ramakrishnan Geetha , Bandi Reddappa , Seelam Ravikumar , Pallavarapu Lakshminarayana
Published: May 2024

The present work examines the computational analysis and mathematical modeling of peristaltic blood flow in a tapered channel, taking into account slip boundary conditions, Hall current, and Soret–Dufour forces. By neglecting the wave number and employing a long‐wavelength approximation to analyze the fluid model, the investigation was conducted within the framework of a low Reynolds number regime. The study reveals that the values of the Soret number, Dufour number, Prandtl number, and Schmidt number exhibit an upward trend as the fluid temperature rises. In contrast, a rise in the thermal slip parameter causes the fluid temperature to fall. It has been shown that when the mass slip parameter increases, the fluid's concentration rises. The skin friction coefficient rises within the range of x = 0.55 to x = 1 as the velocity, concentration slip parameter, Soret number, and Dufour number increase. Conversely, the skin friction coefficient decreases as the thermal slip parameter increases. The selected characteristics exhibit realism since they find use in many fields such as medical biology, biomechanics, heat exchangers, gas turbines, and several other domains.
Enhancing Electrochemical Efficiency of Solid Oxide Electrolysis Cells for Carbon Dioxide Reduction Through Nickel‐Doped Titanate‐Based Cathode with Doped Ceria Electrolyte
Authors: Sharma Shivika , Stanley R. , Tiwari Pankaj , Basu Suddhasatwa , Vivekanand Vivekanand , Kumari Neetu
Published: May 2024

Solid oxide electrolysis cell (SOEC) is a potential technology for converting the principal greenhouse gas, carbon dioxide (CO2), into carbon monoxide (CO) by employing renewable energy. SOECs have great potential, including high‐energy efficiency, fast electrode kinetics, and competitive cost; however, this technology still has challenges in developing highly active, robust CO2 cathode electrocatalysts. In this work, we report the Ni‐doped lanthanum strontium calcium titanate (La0.20Sr0.25Ca0.45Ni0.05Ti0.95O3−δ) cathode for application as the cathode of CO2 electrolysis with gadolinia‐doped ceria (Gd0.1Ce0.9O1.95) electrolyte in SOEC. The exsolution of Ni nanoparticles is achieved by a simple in situ growth method at 800 °C. The Ni doping in LSCT significantly improved the electrochemical activity of the catalyst by increasing oxygen vacancies, and the Ni metallic nanoparticles can afford much more active sites for CO2 reduction. The CO2 electrolysis mechanism is studied by the distribution of relaxation time analysis of impedance spectroscopy. Ni‐LSCT renders a higher activity for electrolysis of CO2 with an exceptionally high reduction current density of 3.89 A cm−2 at 2.5 V potential applied and 800 °C temperature with GDC (Gd0.1Ce0.9O1.95) electrolyte. Ni doping is a crucial factor in controlling the electrochemical performance and catalytic activity in SOEC and GDC electrolytes, which is further helped by the high ionic conductivity.
Exploring dopant‐enhanced ionic conductivity of AgCl‐doped Li7P3S11 solid electrolytes: Integrating synchrotron Rietveld analysis, DFT, and ANN‐based molecular dynamics approaches
Authors: Choi Yong‐Seok , Lee Youngin , Ahn Hyuna , Jeong Jiwon , Chung Kyung Yoon , Scanlon David O. , Lee Jae‐Chul
Published: May 2024

The effectiveness of dual‐doping as a method of improving the conductivity of sulfide solid electrolytes (SEs) is not in doubt; however, the atomic‐level mechanisms underpinning these enhancements remain elusive. In this study, we investigate the atomic mechanisms associated with the high ionic conductivity of the Li7P3S11 (LPS) SE and its response to Ag/Cl dual dopants. Synthesis and electrochemical characterizations show that the 0.2 M AgCl‐doped LPS (Li6.8P3Ag0.1S10.9Cl0.1) exhibited an over 80% improvement in ionic conductivity compared with the undoped LPS. The atomic‐level structures responsible for the enhanced conductivity were generated by a set of experiment and simulation techniques: synchrotron X‐ray diffractometry, Rietveld refinement, density functional theory, and artificial neural network‐based molecular dynamics simulations. This thorough characterization highlights the role of dual dopants in altering the structure and ionic conductivity. We found that the PS4 and P2S7 structural motifs of LPS undergo transformation into various PSx substructures. These changes in the substructures, in conjunction with the paddle‐wheel effect, enable rapid Li migration. The dopant atoms serve to enhance the flexibility of PS4–P2S7 polyhedral frameworks, consequently enhancing the ionic conductivity. Our study elucidates a clear structure–conductivity relationship for the dual‐doped LPS, providing a fundamental guideline for the development of sulfide SEs with superior conductivity.
Tandem Four‐Component Reaction to Access Fused Polycycles Exhibiting Aggregation‐Enhanced Through‐Space Charge Transfer Emission
Authors: Meng Xin , Zhang Qing , Lang Xuteng , Zhang Ensheng , Liu Yilin , Cao Ziping
Published: May 2024

Rapid construction of new fluorescence emitters is essential in advancing synthetic luminescent materials. This study illustrated a piperidine‐promoted reaction of chiral dialdehyde with benzoylacetonitrile and malonitrile, leading to the formation of the 6/6/7 fused cyclic product in good yield. The proposed reaction mechanism involves a dual condensation/cyclization process, achieving the formation of up to six bonds for fused polycycles. The single crystal structure analysis revealed that the fused cyclic skeleton contains face‐to‐face naphthyl and cyanoalkenyl motifs, which act as the electronic donor and acceptor, respectively, potentially resulting in through‐space charge transfer (TSCT) emission. While the TSCT emissions were weak in solution, a notable increase in luminescence intensity was observed upon aggregation, indicating bright fluorescent light. A series of theoretical analyses further supported the possibility of spatial electronic communication based on frontier molecular orbitals, the distance of charge transfer, and reduced density gradient analysis. This work not only provides guidance for the one‐step synthesis of complex polycycles, but also offers valuable insights into the design of aggregation‐enhanced TSCT emission materials.
Molecular Hosts for the Sensing and Separation of 99TcO4−
Authors: La Cognata Sonia , Marie Cécile , Guilbaud Philippe , Poggi Antonio , Amendola Valeria
Published: May 2024

In recent years, European Union member states have hastened energy policy deliberations to address supply and sustainability concerns, placing a significant emphasis on nuclear energy as a means to achieve decarbonization goals. However, despite its significant role in power generation, nuclear energy faces significant challenges linked to fuel reprocessing and waste disposal, that hinder its broader expansion. In this context, the separation of technetium represents a concerning issue. Indeed, technetium‘s catalytic activity can impede the extraction of uranium, neptunium, and plutonium, affecting waste reprocessing efficiency. Additionally, the stable form of technetium in aerobic conditions, pertechnetate (TcO4−), poses risks of groundwater contamination due to its mobility and solubility. Hence, sensing and separation of TcO4− is imperative for both nuclear fuel processing and minimising radioactive contamination in the environment. However, the binding of TcO4− and its separation from contaminated solutions present challenges due to the acidic (or basic) waste components and the high ionic strength in real matrices. Supramolecular chemists have addressed these issues by designing receptors inspired by molecular recognition principles. This article explores recent advancements and future directions in TcO4− sensing and separation (using extraction and sorption) with a focus on molecular hosts. Metal‐organic receptors will also be discussed.
The Grain Number Increase 1 alleles GNI‐A1‐105Y and ‐105K increase grain number in spring wheat
Authors: Hale C. O. , Tillett B. J. , Martin J. M. , Hogg A. C. , Cook J. P. , Giroux M. J.
Published: May 2024

Wheat (Triticum aestivum L.) has inflorescences made up of multiple spikelets arranged along a central rachis, with each spikelet producing between one and four grains. The Grain Number Increase 1 (GNI‐A1) gene wheat directly influences grain number per spikelet and grain size. Three naturally occurring alleles have been described previously: GNI‐A1‐105N, 105Y, and 105K. This project's goal was to characterize the impact of these alleles within hard red spring wheat cultivars in Montana, where each of the alleles is common. The 105N allele and the 105K allele were compared through analysis of an F5 Vida by Spring‐Yellowstone recombinant inbred line (RIL) population, and with near isogenic lines (NILs) derived from the same population. The 105N allele and the 105Y allele were compared with NILs derived from an F4 Lanning by Egan RIL population. We analyzed the impact of each of the three alleles and compared their effects on inflorescence architecture, grain size, grain yield, grain quality, and milling quality under Bozeman, MT, field conditions. Data show that either loss‐of‐function alleles (105Y and 105K) increased grain number per spikelet by 5% when compared to the more functional allele (105N) across all years and environments tested. Overall grain size was not significantly reduced and there was also not a significant increase in overall grain yield.
Power Harmonic Suppression based direct vector control for robust DFIG operation during grid voltage distortions
Authors: Bala Krishna Pydi , Asha Rani Mohan Anitha
Published: May 2024

This paper proposes a Power Harmonic Suppression (Damping) (PHS) based reference current generation scheme, which focuses on simultaneous mitigation of harmonic pulsations in electromagnetic torque, stator real and reactive powers, and DC‐link voltage while retaining sinusoidal stator and grid currents and unity power factor at grid side. The crux of this PHS method lies in its ability to eliminate the harmonic powers developed in the DFIG stator and grid at 100Hz, 200Hz, 300Hz, 400Hz, and 600 Hz owing to second, fifth, and seventh harmonic grid voltages. This is achieved as a result of the elimination of natural fluxes developed in the DFIG air gap due to second, fifth, and seventh harmonic distortions in grid voltage. For this, a single concurrent reference current generation technique is developed for RSC and GSC to mitigate the oscillations of electromagnetic torque, stator real and reactive powers, and ripples in DC‐link voltage. Further, the reference rotor currents (positive, negative, fifth, and seventh sequence) are compared with the actual rotor currents using a PI controller to retain sinusoidal stator and grid currents. The proposed scheme's efficacy is validated with PSCAD/EMTDC simulations and using OPAL‐RT OP4510 real‐time simulator, on a 2.3 kVA DFIG.
Binary image embedding and restoration in speech signal
Authors: Ikesugi Shuya , Kawamura Arata
Published: May 2024

In this paper, we propose a method of embedding images into a speech signal. An image is embedded in the high frequency band above 16 kHz of the speech signal to be difficult to perceive for humans. In the proposed method, the image is embedded after being binarized by the error diffusion method. When the image is embedded, we apply an iterative phase restoration method to avoid noise generation. We also investigate a compensation method for an extracted image whose quality degrades due to transmission channel characteristics. Simulation and real‐environmental experiments showed that the proposed method significantly improved the quality of the extracted image on the receiver side.
Human insulin as both antigen and protector in type 1 diabetes
Authors: Amdare Nitin P. , Shultz Leonard D. , Greiner Dale L. , DiLorenzo Teresa P.
Published: May 2024

Type 1 diabetes (T1D) is characterized by T‐cell responses to islet antigens. Investigations in humans and the nonobese diabetic (NOD) mouse model of T1D have revealed that T‐cell reactivity to insulin plays a central role in the autoimmune response. As there is no convenient NOD‐based model to study human insulin (hIns) or its T‐cell epitopes in the context of spontaneous T1D, we developed a NOD mouse strain transgenically expressing hIns in islets under the control of the human regulatory region. Female NOD.hIns mice developed T1D at approximately the same rate and overall incidence as NOD mice. Islet‐infiltrating T cells from NOD.hIns mice recognized hIns peptides; both CD8 and CD4 T‐cell epitopes were identified. We also demonstrate that islet‐infiltrating T cells from HLA‐transgenic NOD.hIns mice can be used to identify potentially patient‐relevant hIns T‐cell epitopes. Besides serving as an antigen, hIns was expressed in the thymus of NOD.hIns mice and could serve as a protector against T1D under certain circumstances, as previously suggested by genetic studies in humans. NOD.hIns mice and related strains facilitate human‐relevant epitope discovery efforts and the investigation of fundamental questions that cannot be readily addressed in humans.
Rational optimization of substituted α‐MnO2 cathode for aqueous zinc‐ion battery
Authors: Le Thanh , Takeuchi Esther S. , Takeuchi Kenneth J. , Marschilok Amy C. , Liu Ping
Published: May 2024

Density functional theory (DFT) is utilized to explore the effects of increasing concentrations of vanadium (V) and chromium (Cr) substitution on the discharge of α‐MnO2 cathode in hydrated zinc‐ion batteries (ZIBs). During H+‐intercalation and Zn2+‐intercalation, Cr‐substitution proves to be more effective than V‐substitution in promoting discharge behaviors. Transitioning from Mn0.875Cr0.125O2, Mn0.75Cr0.25O2 to Mn0.625Cr0.375O2 is found to consistently enhance the discharge voltage, along with improved tunnel structure retention and volume expansion suppression. In comparison, the promoting effect of increasing V‐substitution is relatively small at initial discharge stages and leads to degradation at later stages, primarily due to an increased concentration of unstable Mn2+ ion. The superior effect of Cr‐substitution is attributed to the unique atomic and electronic structures of substituted Cr4+ and reduced Cr3+ ions during discharge. These ions serve as active electron acceptors to limit the formation of Mn3+ and Mn2+ ions, and as anchors to stabilize the α‐MnO2 framework and intercalated H+/Zn2+ ions, respectively. Our study highlights fine‐tuning through substitution to enhance the performance of α‐MnO2‐based cathode materials in ZIBs.
Artificial versus natural intelligence: Overcoming students' cheating likelihood with artificial intelligence tools during virtual assessment
Authors: Akintande Olalekan J.
Published: May 2024

Assessment techniques need to evolve beyond traditional methods in light of the rapidly developing artificial intelligence (AI) tool technologies, such as Copilot, Bard, and ChatGPT. These AI‐powered Chatbot is designed to appear similar to human speech or text and present information conversationally, making them tenable options for student assessment support worldwide. Consequently, to take advantage of the weaknesses in the AI system and foster a creative attitude in their pupils, educators must reconsider their approach to evaluation. The study conducts a comparative experiment on two different assessment methods—the traditional questioning strategy (Experiment I) versus the alternative or modified strategy (Experiment II), to assess how well the AI tools perform in the assessment and how the new technique can deter students from engaging in academic dishonesty. According to the study in Experiment I, the AI‐Chatbot had a 100% positive response correlation, but in Experiment II, it had a shockingly low positive response correlation. Comparably, pupils who use AI‐Chatbot and those who do not have significant performance disparities (α = 0.05, p‐value < 0.001; 1.8331). Inferentially, AI‐Chatbot helped students a lot in Experiment I but did considerably less in Experiment II. In other words, Experiment II's questioning approach outperforms the AI tools' level of competence. The study comes to the conclusion that if AI is effectively harnessed, human natural intelligence will always be able to overcome the challenges posed by these powerful AI technologies.
Lasttransferschichten über pfahlartigen Traggliedern – Überblick und Vergleich analytischer und numerischer Lösungen
Authors: Spirkl Florian , Neidhart Thomas
Published: May 2024

Der Einbau mineralischer, granularer Lasttransferschichten (LTS) zwischen einem Bauwerk und einer Tiefgründung z.B. aus pfahlartigen Traggliedern (PTG) beeinflusst erheblich die Lastaufteilung auf die PTG und den zumeist weichen Boden dazwischen. Eine genaue Kenntnis über die Lastaufteilung ist für die Bemessung der LTS und PTG, aber auch des darauf gegründeten Bauwerks erforderlich. Für die Quantifizierung der Lastaufteilung wurden eine Vielzahl an Berechnungsansätzen entwickelt, welche zumeist auf Modell‐ oder Großversuchen basieren, aus deren Ergebnissen analytische Ansätze entwickelt wurden. Zunächst werden ausgewählte Berechnungsansätze zur Lastaufteilung vorgestellt, dann mithilfe von Finite‐Elemente‐Berechnungen der Einfluss verschiedener Parameter auf die Lastaufteilung veranschaulicht und diskutiert. Für geringe Dicken der LTS ergibt sich dabei eine hohe Übereinstimmung der FE‐Berechnungen mit einem Durchstanzmechanismus. Ab einer bestimmten Dicke der LTS, abhängig von verschiedensten Randbedingungen, bildet sich in den FE‐Berechnungen ein Gewölbe aus. Das Einstanzen der PTG in die LTS kann dann durch einen Grundbruchmechanismus beschrieben und als obere Begrenzung der Lastumlagerung auf die PTG angesehen werden. Anhand zahlreicher Vergleichsberechnungen konnte gezeigt werden, dass die beiden Mechanismen Durchstanzen und Grundbruch in sehr vielen Fällen ausreichen, um die Lastaufteilung auch ohne FE‐Berechnungen abzuschätzen.
IL‐10 and Cdc42 modulate astrocyte‐mediated microglia activation in methamphetamine‐induced neuroinflammation
Authors: Silva Ana Isabel , Socodato Renato , Pinto Carolina , Terceiro Ana Filipa , Canedo Teresa , Relvas João Bettencourt , Saraiva Margarida , Summavielle Teresa
Published: May 2024

Methamphetamine (Meth) use is known to induce complex neuroinflammatory responses, particularly involving astrocytes and microglia. Building upon our previous research, which demonstrated that Meth stimulates astrocytes to release tumor necrosis factor (TNF) and glutamate, leading to microglial activation, this study investigates the role of the anti‐inflammatory cytokine interleukin‐10 (IL‐10) in this process. Our findings reveal that the presence of recombinant IL‐10 (rIL‐10) counteracts Meth‐induced excessive glutamate release in astrocyte cultures, which significantly reduces microglial activation. This reduction is associated with the modulation of astrocytic intracellular calcium (Ca2+) dynamics, particularly by restricting the release of Ca2+ from the endoplasmic reticulum to the cytoplasm. Furthermore, we identify the small Rho GTPase Cdc42 as a crucial intermediary in the astrocyte‐to‐microglia communication pathway under Meth exposure. By employing a transgenic mouse model that overexpresses IL‐10 (pMT‐10), we also demonstrate in vivo that IL‐10 prevents Meth‐induced neuroinflammation. These findings not only enhance our understanding of Meth‐related neuroinflammatory mechanisms, but also suggest IL‐10 and Cdc42 as putative therapeutic targets for treating Meth‐induced neuroinflammation.
Application of boosted trees to the prognosis prediction of COVID‐19
Authors: Molaei Sajjad , Moazen Hadi , Niazkar Hamid R. , Sabaei Masoud , Johari Masoumeh G. , Rezaianzadeh Abbas
Published: May 2024

Background and Aims

The precise prediction of COVID‐19 prognosis remains a clinical challenge. In this regard, early identification of severe cases facilitates the triage and management of COVID‐19 cases. The present paper aims to explore the prognosis of COVID‐19 patients based on routine laboratory tests taken when patients are admitted.

Methods

A data set including 1455 COVID‐19 patients (727 male, 728 female) and their routine laboratory tests conducted upon hospital admission, age, Intensive Care Unit (ICU) admission, and outcome were gathered. The data set was randomly split into the train (75% of the data) and test data set (25% of the data). The explainable boosting machine (EBM) and extreme gradient boosting (XGBoost) were used for predicting the mortality and ICU admission of COVID‐19 cases. Also, feature importance was extracted using EBM and XGBoost.

Results

The EBM and XGBoost achieved 86.38% and 88.56% accuracy in the test data set, respectively. In addition, EBM and XGBoost predicted the ICU admission with an accuracy of 89.37%, and 79.29% in the test data set for COVID‐19 patients, respectively. Also, obtained models indicated that aspartate transaminase (AST), lymphocyte, blood urea nitrogen (BUN), and age are the most significant predictors of COVID‐19 mortality. Furthermore, the lymphocyte count, AST, and BUN level were the most significant ICU admission predictors of COVID‐19 patients.

Conclusions

The current study indicated that both EBM and XGBoost could predict the ICU admission and mortality of COVID‐19 cases based on routine hematological and clinical chemistry evaluation at the time of admission. Also, based on the results, AST, lymphocyte count, and BUN levels could be used as early predictors of COVID‐19 prognosis.
The effect of maternal age on still birth in Africa: A systematic review and meta‐analysis
Authors: Abate Mengistu , Arefaynie Mastewal , Muche Amare , Molla Asressie , Wodajo Shambel , Temesgen Kibir , Fentaw Zinabu , Tefera Zenebe , Habtewold Tesfa D.
Published: May 2024

Background and Aims

Stillbirth is a public health as well as a development problem in low and middle‐income countries. The studies that found out maternal age as a factor for the risk of stillbirth reported different findings. This systematic review and meta‐analysis is believed to fill the inconclusiveness of these findings. Hence, the aim of this systematic review and meta‐analysis is to estimate the pooled effect of advanced maternal age on stillbirth in Africa.

Methods

PubMed & HINARY databases and Google Scholar search engine were searched to access the primary studies. The extracted data using Microsoft excel was exported to Stata 15 software for analysis. The presence of heterogeneity was checked using Cochran's Q statistic and the I2 test. Publication bias was examined by using funnel plot and Egger's test. The pooled effect measure with DerSimonian and Laird method of random‐effect model was reported using odds ratio (OR) with respective 95% confidence interval.

Results

Totally, 14 articles are included for the systematic review and meta‐analysis. The stillbirth reported by the studies ranges from 15 to 146.7 per 1000 births. The overall OR of advanced maternal age (≥35 years) on stillbirth is 1.42 (1.18, 1.71) when compared with the age group of 20–35 years. The cumulative effect of getting pregnant at advanced age on stillbirth was slightly increasing from year to year.

Conclusion

Advanced maternal age is a risk factor for stillbirth. Health Information Communication on the risk of getting pregnant at the advanced ages on stillbirth should be well addressed to all women of reproductive age group.
Clinical effects of online cognitive behavioral group therapy for chronic pain patients and developing a therapeutic alliance: A pre–post pilot trial
Authors: Yoshino Atsuo , Yokoyama Satoshi , Kurata Akiko , Nakamura Ryuji , Nagami Tatsuro , Taguchi Shima , Yamawaki Shigeto
Published: May 2024

Background and Aims

Research suggests that various psychosocial factors influence chronic pain, with psychotherapies like cognitive behavioral therapy  proving effective. However, the limited availability and accessibility have prolonged suffering among patients with chronic pain. This challenge has led to a growing demand for accessible online interventions. We developed an online cognitive behavioral group therapy (CBGT) program, building upon our existing face‐to‐face CBGT program. We compared the scores obtained by patients during the treatment‐as‐usual (TAU) period with those collected at the beginning and at the end of the intervention. 

Methods

Patients with chronic pain (N = 22) agreed to participate in the online CBGT program, which was conducted once a week for 12 sessions. The sample size was decided based on the effect sizes of our past face‐to‐face CBGT. We assessed pain intensity [Visual Analogue Scale (VAS)], pain catastrophizing [pain catastrophizing scale (PCS)] and psychiatric assessment [Beck Depression Inventory‐Second Edition (BDI)‐II], State‐Trait‐Anxiety Inventory (STAI), and Short Form Health Survey (SF‐36) at three points: entry, pretreatment, and posttreatment. We also evaluated the participants' therapeutic alliance with the treatment staff [short‐form version of the Working Alliance Inventory (WAI‐S)]. We utilized analyses of variance, Friedman test, paired t‐tests, Wilcoxon signed‐rank test, and Pearson correlation analysis for data evaluation.

Results

Results indicated a significant posttreatment improvement in VAS, PCS, and BDI‐II scores compared to the TAU period. Furthermore, posttreatment WAI‐S scores increased significantly compared to pretreatment scores. Also, positive correlations were observed among pre‐ and posttreatment changes in WAI‐S, pain intensity, and pain catastrophizing scores.

Conclusion

There is a possibility that a therapeutic alliance can be established, and therapeutic effects achieved through an online CBGT intervention; however, additional research is required to substantiate this potential. We have registered this clinical trial in UMIN‐CTR on 04/21/2021 with the number UMIN000043982.
Ecotoxicological effects of polystyrene nanoplastics on common carp: Insights into blood parameters, DNA damage, and gene expression
Authors: Acar Ümit , İnanan Burak Evren , Zemheri‐Navruz Fahriye
Published: May 2024

Plastics are ubiquitous in modern society due to their cost‐effectiveness, lightweight nature, and versatility. However, their extensive use and inadequate recycling have led to a significant environmental challenge, with plastic waste accumulating rapidly and causing ecological and health problems, especially in aquatic environments. Nanoplastics, particles ranging from 1 to 100 nm, have emerged as a particularly concerning subset due to their ability to easily penetrate biological barriers and accumulate in tissues. In this study, we investigated the toxicity of carboxylate‐modified polystyrene nanoplastics (PS‐NPs) on common carp (Cyprinus carpio), a species often used in ecotoxicology research due to its ability to accumulate pollutants. The PS‐NPs were characterized, and their effects on DNA damage gene expression related to oxidative stress and immunity were examined. PS‐NPs with a diameter of 20–30 nm were found to possess a spherical shape and negatively charged surfaces. Exposure to PS‐NPs led to significant DNA damage in the blood and brain cells of common carp, with higher concentrations resulting in more severe damage. Additionally, PS‐NP exposure influenced the expression of genes related to antioxidative defense and stress response in the liver. Specifically, genes encoding superoxide dismutase (SOD), catalase (CAT), and heat shock protein 70 (Hsp70) showed upregulation, while glutathione peroxidase (GPx) and glutathione S‐transferase (GST) exhibited downregulation at higher PS‐NP concentrations. Furthermore, the immune‐related genes interleukin‐1ß (IL‐1ß), interleukin‐8 (IL‐8), and tumor necrosis factor‐α (TNF‐α) displayed dose‐dependent downregulation in the liver tissue. These findings suggest that exposure to PS‐NPs induces oxidative stress, disrupts immune responses, and causes DNA damage in common carp. The results highlight the need for further research on the environmental impacts of PS‐NPs and underscore the importance of proper waste management and recycling practices to mitigate plastic pollution.
Tinned: A symbolic library for response theory and high‐order derivatives
Authors: Gao Bin
Published: May 2024

A symbolic C++ library—Tinned—has been developed for symbolic differentiation and manipulation in response theory. By recognizing different key building blocks in the density matrix‐based (Thorvaldsen et al., J. Chem. Phys. 2008, 129, 214108) and coupled‐cluster response theories, we have implemented their corresponding C++ symbolic classes, including but not limited to one‐ and two‐electron operators, exchange‐correlation energy and potential, and coupled‐cluster operator. Formulas of response theory can be well expressed in terms of the symbolic classes in the library Tinned. Their high‐order perturbation‐strength derivatives can be straightforwardly computed and extracted afterwards for numerical evaluation. The library Tinned will greatly facilitate the development work of response theory and may lead to a unified framework for response theory at different levels of electronic structure theory.