bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractOver 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

AbstractThe 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

AbstractObjectivesNonalcoholic 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 MethodsWe 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.ResultsAdjusting 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).DiscussionAdjusting 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

AbstractAmmonia (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

AbstractBis(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

AbstractTo 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

AbstractVerbena 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

AbstractDivision 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

AbstractThis 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

AbstractCapturing 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

AbstractThe 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

AbstractSolid 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

AbstractThe 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

AbstractRapid 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

AbstractIn 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

AbstractWheat (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.