bluuebunny/crossref_metadata_2025_split huggingface dataset:
Emergent Ferroelectric Nematic and Heliconical Ferroelectric Nematic States in an Achiral “Straight” Polar Rod Mesogen
Authors: Nishikawa Hiroya , Okada Daichi , Kwaria Dennis , Nihonyanagi Atsuko , Kuwayama Motonobu , Hoshino Manabu , Araoka Fumito 
Published: August 2024

AbstractFerroelectric nematic liquid crystals (NFLCs) are distinguished by their remarkable polarization characteristics and diverse physical phenomena, sparking significant interest and excitement within the scientific community. To date, over 150 NFLC molecules are developed; however, there are no reports regarding straight linear polar molecules with a parallel alignment of the permanent dipole moment and the molecular axis. The straight polar mesogen nBOE exhibits an enantiotropic NF phase with a wide temperature window (up to 100 K) despite having a longer alkyl chain (up to n = 6) than the critical alkyl chain length of conventional models. Interestingly, nBOE with a medium‐length alkyl chain displays an exotic phase sequence of NF–HCNF–SmXF during the elimination of positional displacement among adjacent molecules. Furthermore, the reflective color modulation of the HCNFLC over the entire VIS‐NIR spectral regime by ultralow E‐field (up to 0.14 V µm−1) is demonstrated.
Design, Synthesis, and Characterization of Al‐Containing Multicomponent Alloys for Hydrogen Storage and Compression
Authors: Marques Felipe , Zepon Guilherme , Petersen Hilke , Felderhoff Michael 
Published: August 2024

AbstractIn this paper, compositions within the TiZrAlCrMn, TiZrAlCrFe, and TiZrAlMnFe alloy systems that form the C14 Laves phase are investigated. The design, synthesis, structural, and hydrogen storage characterizations for an equiatomic and a non‐equiatomic composition for each alloy system are presented. Additionally, the further development of a thermodynamic method for the calculation of pressure‐composition‐isotherms (PCIs) is presented of C14 Laves phase alloys that absorb hydrogen by solid solution. Overall, the results shown in this paper indicate that Al‐containing multicomponent alloys can present promising hydrogen storage performance under high pressures. Nonetheless, high concentrations of aluminum in highly concentrated (equiatomic) alloys can have a negative impact on the hydrogenation properties. The Ti0.29Zr0.05Al0.05Cr0.26Mn0.35 composition showed promising hydrogenation/dehydrogenation properties. The gravimetric capacity of this alloy is ≈1.76 wt.% H2 and the PCIs measured indicate that this material has potential for high‐pressure hydrogen storage and compression applications. The use of the presented thermodynamic model for the design of multicomponent alloys is suggested.
The Combination of Electronic Structure and Lattice Strain Engineering for Multi‐Powered Hydrazine‐Assisted Seawater Electrolysis System at High Current Densities
Authors: Wang Hao‐Yu , Yan Fengxiao , Wang Hao , Zhai Sixiang , Ren Jin‐Tao , Wang Lei , Sun Minglei , Yuan Zhong‐Yong 
Published: August 2024

AbstractThe utilization of hydrazine in aiding water electrolysis presents a promising avenue for achieving highly efficient hydrogen production through energy conversion. Herein, bifunctional electrocatalyst of urchin‐like iron, nickle‐codoped cobalt phosphide supported on Ni foam (FeNi‐CoP/NF) is reported. Benefitting from the combined electronic structure and lattice strain engineering by Fe and Ni‐ codoping, the hydrazine‐assisted seawater electrolysis assembled with FeNi‐CoP/NF as both electrodes can achieve an industrial‐level current density of 1.5 A cm−2 at a record‐setting voltage of 163 mV at 70 °C and sustain stable operation for hundreds of hours in seawater environment. The existence of a potential coincidence region lends credibility to the feasibility of implementing self‐activated hydrazine‐assisted seawater electrolysis. Based on theoretical calculations, the separate and synergistic effects of electronic structure and lattice strain engineering are investigated and an integrated illustration of these two strategies on enhancing hydrogen evolution and hydrazine oxidation activity is provided. Moreover, an innovative multi‐powered hydrogen generation system featuring a direct hydrazine fuel cell, rechargeable Zn‐hydrazine battery, and hydrazine‐assisted seawater electrolysis is proposed, underscoring the unique advantages of hydrazine oxidation reaction and its prospective contribution to electrochemical energy conversion technologies powered by sustainable sources.
Polymorph‐Dependent Multi‐Level Supramolecular Self‐Assembly and Local Charge Transport of a Conjugated Polymer in Solution and Solid States
Authors: Deng Junyang , Zheng Wenhao , Wang Yun , Cheng Miao , Jin Qingqing , Ke Yubin , Zheng Zilong , Janssen René A. J. , Li Ling , Liu Ming , Wang Hai I. , Li Mengmeng 
Published: August 2024

AbstractThe polymorphic behavior of conjugated polymers enables tunable optoelectronic properties, but their transport mechanism remains elusive due to the inherent complexity and uncontrollability of polymorphic self‐assembly behaviors and electronic processes at various length scales, alongside the ambiguous relationship between solution and solid states. Herein, precise control of multi‐level supramolecular self‐assembly of a polymorphic conjugated polymer, N‐PDPP4T‐HD with two distinct semi‐crystalline aggregated phases (β1 and β2) via solvent engineering is demonstrated. β1 forms 1D worm‐like nanostructures in solution, whereas β2 generates 2D nanoscale lamellar configuration, confirmed by experimental observation and molecular dynamic simulation. Such solution‐state features are inherited in the solid state (1D nanofibers for β1 and 2D granular‐like structures for β2). X‐ray characterizations reveal larger crystalline domains on the nanometer scale, reduced π‐stacking distance on the Ångstrom scale, and diminished paracrystallinity disorder for solid‐state β2. Going beyond conventional DC transistor characterizations, contact‐free ultrafast terahertz spectroscopy to unveil AC short‐range, intrinsic transport properties is employed. Longer charge carrier scattering time and thus intrinsic mobility of β2 result in threefold higher short‐range photoconductivity than β1. This work establishes the “solution structure – solid structure – local transport” relation in polymorphic conjugated polymers and provides new opportunities for high‐performance plastic electronic devices.
DNA‐Intercalating Supramolecular Hydrogels for Tunable Thermal and Viscoelastic Properties
Authors: Hughes Shaina M. , Aykanat Aylin , Pierini Nicholas G. , Paiva Wynter A. , Weeks April A. , Edwards Austin S. , Durant Owen C. , Oldenhuis Nathan J. 
Published: August 2024

AbstractPolymeric supramolecular hydrogels (PSHs) leverage the thermodynamic and kinetic properties of non‐covalent interactions between polymer chains to govern their structural characteristics. As these materials are formed via endothermic or exothermic equilibria, their thermal response is challenging to control without drastically changing the nature of the chemistry used to join them. In this study, we introduce a novel class of PSHs utilizing the intercalation of double‐stranded DNA (dsDNA) as the primary dynamic non‐covalent interaction. The resulting dsDNA intercalating supramolecular hydrogels (DISHs) can be tuned to exhibit both endothermically or exothermically driven binding through strategic selection of intercalators. Bifunctional polyethylene glycol (MW~2000 Da) capped with intercalators of varying hydrophobicity, charge, and size (acridine, psoralen, thiazole orange, and phenanthridine) produced DISHs with comparable moduli (500–1000 Pa), but unique thermal viscoelastic responses. Notably, acridine‐based cross‐linkers displayed invariant and even increasing relaxation times with temperature, suggesting an endothermic binding mechanism. This methodology expands the set of structure‐properties available to biomass‐derived DNA biomaterials and promises a new material system where a broad set of thermal and viscoelastic responses can be obtained due to the sheer number and variety of intercalating molecules.
Synergistic C2H2 Binding Sites in Hydrogen‐Bonded Supramolecular Framework for One‐Step C2H4 Purification from Ternary C2 Mixture
Authors: Ji Zhenyu , Li Qing , Zhou Yunzhe , Krishna Rajamani , Hong Maochun , Wu Mingyan 
Published: August 2024

AbstractPurification of C2H4 from the ternary C2 hydrocarbon mixture in one step is of critical significance but still extremely challenging according to its intermediate physical properties between C2H6 and C2H2. Hydrogen‐bonded organic frameworks (HOFs) stabilized by supramolecular interactions are emerging as a new kind of adsorbents that facilitate green separation. However, it remains a problem to efficiently realize the one‐step C2H4 purification from C2H6/C2H4/C2H2 mixture because of the low C2H2/C2H4 selectivity. We herein report a robust microporous HOF (termed as HOF‐TDCPB) with dense O atoms and aromatic rings distributed on the pore surface which provide C2H6 and C2H2 preferred environment simultaneously. Dynamic breakthrough experiments indicate that HOF‐TDCPB can not only obtain high‐purity C2H4 from binary C2 mixture, but also firstly realize one‐step C2H4 purification from ternary C2H6/C2H4/C2H2 mixture, with the C2H4 productivity of 3.2 L/kg (>99.999 %) for one breakthrough cycle. Furthermore, HOF‐TDCPB displays outstanding stability in air, organic solvents and water, which endow it excellent cycle performance even under high‐humidity conditions. Theoretical calculations indicate that multiple O sites on pore channels can create synergistic binding sites for C2H2, thus affording overall stronger multipoint interactions.
Facile one‐pot synthesis of N‐pyridinylaminonaphthol derivatives and their antibacterial evaluation against multidrug‐resistant Staphylococcus aureus
Authors: Bakchi Bulti , Maddipatla Sarvan , Gupta Khushi , Singampalli Anuradha , Saxena Deepanshi , Maitra Rahul , Agnivesh Puja K. , Kalia Nitin P. , Nanduri Srinivas , Chopra Siddharth , Yaddanapudi Venkata M. 
Published: August 2024

AbstractThe escalating severity of the menace posed by bacterial resistance has rendered the existing antibiotics less effective, thus necessitating the discovery of new antibacterial agents. The current study reports the exploration of substituted N‐pyridinylaminonaphthols produced by a straightforward, one‐pot multicomponent reaction process as antibacterial agents. The synthesized derivatives were assessed in vitro for their antibacterial properties against a panel of bacterial pathogens. The analogs 4b, 4g, 4h, 4i, 4j, 4l, 4r, and 4t exhibited potent inhibitory activity with minimum inhibitory concentration (MIC) values of 1–2 µg/mL. Notably, 4b, 4l, and 4t displayed an excellent selectivity index. Additionally, they were active against the multidrug‐resistant bacterial strains, with 4l exhibiting the best activity against methicillin‐resistant Staphylococcus aureus and vancomycin resistant staphylococcus aureus with a MIC of 1 µg/mL. 4l showed synergism with gentamycin and showed bactericidal property in a concentration‐dependent manner. Furthermore, the molecule 4l inhibited the DNA gyrase supercoiling activity. Absorption, distribution, metabolism, excretion/toxicity parameters and pharmacokinetic properties were assessed via in silico techniques, which elucidate the potential mode of action. These findings demonstrate the potential of the N‐pyridinylaminonaphthol derivatives as antibacterial agents against multidrug‐resistant S. aureus.
Synthesis, in vitro anticancer activity, and pharmacokinetic profiling of the new tetrahydropyrimidines: Part I
Authors: Milović Emilija , Ristovski Jovana Trifunović , Stefanović Srđan , Petronijević Jelena , Joksimović Nenad , Matić Ivana Z. , Đurić Ana , Ilić Bojana , Klisurić Olivera , Radan Milica , Nikolić Katarina , Janković Nenad 
Published: August 2024

AbstractDifferent vanillin‐based aldehydes were used to synthesize novel tetrahydropyrimidines (THPMs) via conventional Biginelli reaction. The THPMs were tested against human normal cells (MRC‐5) and cancer cell lines (HeLa, K562, and MDA‐MB‐231). With IC50 values of 10.65, 10.70, and 12.76 µM, compounds 4g, 4h, and 4i exerted the strongest cytotoxic effects against K562 cells. The best activity was achieved for 4g on MDA‐MB‐231 cells (IC50 = 9.20 ± 0.14 µM). The effects of compounds 4g, 4h, and 4i on the cell‐cycle phase distribution of K562 cells were analyzed. Principal component analysis was carried out for the chemometrics analysis to comprehend the relationship between the anticancer activity of the THPMs, pharmacokinetic properties, and partition coefficients, as well as the relationship between the chromatographic behavior and retention parameters. The highest retention rates are found for molecules 4g, 4h, and 4i, which have the longest carbon chains, indicating that the length of the alkyl chain positively affects the molecule's anticancer activity but only if the number of carbon atoms is not higher than seven. Additionally, molecular docking analysis was performed to determine the preferred binding modes of the investigated ligands (4g, 4h, and 4i) with a DNA dodecamer and bovine serum albumin.
The logic behind cyberchondria: Longitudinal relations among risk perception, health anxiety, and online health information seeking
Authors: Song Yanhui , Min Deyu 
Published: August 2024

AbstractThe cyberchondria phenomenon presents a significant health concern, yet there remains a relative scarcity of research on the formation mechanisms of cyberchondria and its longitudinal studies. Based on the RISP model and C‐A‐C framework, this study aimed to examine the longitudinal associations between risk perception, health anxiety, and online health information seeking (OHIS) within the context of Chinese social media. We used a three‐wave longitudinal survey with 514 participants at one‐month intervals starting September 2023, employing the Random Intercept Cross‐Lagged Panel Model (RI‐CLPM) for data analysis. At the between‐person level, we solely observed significant negative associations between health anxiety and OHIS. At the within‐person level, (1) positively bidirectional associations were noted among the three main variables; (2) causal relationships were identified between risk perception and OHIS, as well as between health anxiety and OHIS; (3) Health anxiety partially mediated the relationship between risk perception and OHIS, and OHIS fully mediated the relationship between health anxiety at T1 and T3; and (4) multi‐group analyses showed that gender differences in RI‐CLPM were significant, while age differences were insignificant. The results offer theoretical and practical insights for health practitioners, information seekers, and social media platforms.
A comprehensive review on fructosyl peptide oxidase as an important enzyme for present hemoglobin A1c assays
Authors: Rahmatabadi Seyyed Soheil , Bashiri Hoda , Soleymani Bijan 
Published: August 2024

AbstractGlycated proteins are generated by binding of glucose to the proteins in blood stream through a nonenzymatic reaction. Hemoglobin A1c (HbA1c) is a glycated protein with glucose at the N‐terminal of β‐chain. HbA1c is extensively used as an indicator for assessing the blood glucose concentration in diabetes patients. There are different conventional clinical methods for the detection of HbA1c. However, enzymatic detection method has newly obtained great attention for its high precision and cost‐effectiveness. Today, fructosyl peptide oxidase (FPOX) plays a key role in the enzymatic measurement of HbA1c, and different companies have marketed HbA1c assay systems based on FPOX. Recent investigations show that FPOX could be used in assaying HbA1 without requiring HbA1c primary digestion. It could also be applied as a biosensor for HbA1c detection. In this review, we have discussed the recent improvements of FPOX properties, different methods of FPOX purification, solubility, and immobilization, and also the use of FPOX in HbA1c biosensors.
The interplay between doxorubicin chemotherapy, antioxidant system, and cardiotoxicity: Unrevealing of the protective potential of tannic acid
Authors: Kansu Guldemet , Ozturk Neslihan , Karagac Medine Sibel , Yesilkent Esra Nur , Ceylan Hamid 
Published: August 2024

AbstractCardiotoxicity is the leading side effect of anthracycline‐based chemotherapy. Therefore, it has gained importance to reveal chemotherapy‐supporting strategies and reliable agents with their mechanisms of action. Tannic acid (TA), a naturally occurring plant polyphenol, has diverse physiological effects, including anti‐inflammatory, anticarcinogenic, antioxidant, and radical scavenging properties. Therefore, this study was designed to investigate whether TA exerts a protective effect on mechanisms contributing to anthracycline‐induced cardiotoxicity in rat heart tissues exposed to doxorubicin (DOX). Rats were randomly divided into control and experimental groups and treated with (18 mg/kg) DOX, TA (50 mg/kg), and DOX + TA during the 2 weeks. Cardiac gene markers and mitochondrial DNA (mtDNA) content were evaluated in the heart tissues of all animals. In addition to major metabolites, mRNA expression changes and biological activity responses of components of antioxidant metabolism were examined in the heart tissues of all animals. The expression of cardiac gene markers increased by DOX exposure was significantly reduced by TA treatment, whereas mtDNA content, which was decreased by DOX exposure, was significantly increased. TA also improved antioxidant metabolism members' gene expression and enzymatic activity, including glutathione peroxidase, glutathione s‐transferase, superoxide dismutase, catalase, and thioredoxin reductase. This study provides a detailed overview of the current understanding of DOX‐induced cardiotoxicity and preventive or curative measures involving TA.
A potent formula against triple‐negative breast cancer—sorafenib‐carbon nanotubes‐folic acid: Targeting, apoptosis triggering, and bioavailability enhancing
Authors: Nabawi Hossam M. S. , Abdelazem Ahmed Z. , El Rouby Waleed M. A. , El‐Shahawy Ahmed A. G. 
Published: August 2024

AbstractTriple‐negative breast cancer (TNBC) has short survival rates. This study aimed to prepare a novel formula of sorafenib, carbon nanotubes (CNTs), and folic acid to be tested as a drug delivery system targeting versus TNBC compared with free sorafenib and to evaluate the formula stability, in vitro pharmacodynamic, and in vivo pharmacokinetic properties. The formula preparation was done by the synthesis of polyethylene glycol bis amine linker, CNT PEGylation, folic acid attachment, and sorafenib loading. The prepared formula has been characterized using X‐ray diffraction, Flourier‐transform infrared, 1HNMR, UV, high resolution–transmission electron microscope, field emission scanning electron microscopy, and Zeta potential. In vitro studies included drug release determination, MTT assay, flow cytometry to determine the apoptotic stage with percent, cell cycle analysis, and apoptotic marker assays for caspase‐3, 8, 9, cytochrome c, and BCL‐2. The in vivo study was performed to determine bioavailability and half‐life in rats. The in vitro MTT antiproliferative assay revealed that the formula was threefold more cytotoxic toward TNBC cells than free sorafenib, and the flow cytometry showed a significant increase in apoptosis and necrosis. The formula has a greater inhibitory effect on BCL‐2 and a lessening effect on cytochrome c and caspases 3, 8, and 9 than free sorafenib. In vivo experiments proved that our novel formula was superior to free sorafenib by increasing bioavailability by eight times and prolonging the half‐life by three times. These results confirmed the successful preparation of the desired formula with better pharmacodynamic and pharmacokinetic properties. These promising results may show a novel therapeutic strategy for TNBC patients.
Pluripotent stem cell‐derived organoids: A brief history of curiosity‐led discoveries
Authors: Lancaster Madeline A. 
Published: August 2024

AbstractOrganoids are quickly becoming an accepted model for understanding human biology and disease. Pluripotent stem cells (PSC) provide a starting point for many organs and enable modeling of the embryonic development and maturation of such organs. The foundation of PSC‐derived organoids can be found in elegant developmental studies demonstrating the remarkable ability of immature cells to undergo histogenesis even when taken out of the embryo context. PSC‐organoids are an evolution of earlier methods such as embryoid bodies, taken to a new level with finer control and in some cases going beyond tissue histogenesis to organ‐like morphogenesis. But many of the discoveries that led to organoids were not necessarily planned, but rather the result of inquisitive minds with freedom to explore. Protecting such curiosity‐led research through flexible funding will be important going forward if we are to see further ground‐breaking discoveries.
Health Care Provider Clustering Using Fusion Penalty in Quasi‐Likelihood
Authors: Liu Lili , He Kevin , Wang Di , Ma Shujie , Qu Annie , Luan Yihui , Miller J. Philip , Song Yizhe , Liu Lei 
Published: August 2024

ABSTRACTThere has been growing research interest in developing methodology to evaluate the health care providers' performance with respect to a patient outcome. Random and fixed effects models are traditionally used for such a purpose. We propose a new method, using a fusion penalty to cluster health care providers based on quasi‐likelihood. Without any priori knowledge of grouping information, our method provides a desirable data‐driven approach for automatically clustering health care providers into different groups based on their performance. Further, the quasi‐likelihood is more flexible and robust than the regular likelihood in that no distributional assumption is needed. An efficient alternating direction method of multipliers algorithm is developed to implement the proposed method. We show that the proposed method enjoys the oracle properties; namely, it performs as well as if the true group structure were known in advance. The consistency and asymptotic normality of the estimators are established. Simulation studies and analysis of the national kidney transplant registry data demonstrate the utility and validity of our method.