bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dynamic Entwined Topology in Helical Covalent Polymers Dictated by Competing Supramolecular Interactions
Authors: Wayment Lacey J. , Teat Simon J. , Huang Shaofeng , Chen Hongxuan , Zhang Wei 
Published: March 2024

AbstractNaturally occurring polymeric structures often consist of 1D polymer chains intricately folded and entwined through non‐covalent bonds, adopting precise topologies crucial for their functionality. The exploration of crystalline 1D polymers through dynamic covalent chemistry (DCvC) and supramolecular interactions represents a novel approach for developing crystalline polymers. This study shows that sub‐angstrom differences in the counter‐ion size can lead to various helical covalent polymer (HCP) topologies, including a novel metal‐coordination HCP (m‐HCP) motif. Single‐crystal X‐ray diffraction (SCXRD) analysis of HCP−Na revealed that double helical pairs are formed by sodium ions coordinating to spiroborate linkages to form rectangular pores. The double helices are interpenetrated by the unreacted diols coordinating sodium ions. The reticulation of the m‐HCP structure was demonstrated by the successful synthesis of HCP−K. Finally, ion‐exchange studies were conducted to show the interconversion between HCP structures. This research illustrates how seemingly simple modifications, such as changes in counter‐ion size, can significantly influence the polymer topology and determine which supramolecular interactions dominate the crystal lattice.
Organic Fluorophores with Large Stokes Shift for the Visualization of Rapid Protein and Nucleic Acid Assays
Authors: Yang Jingkai , Xu Ziyi , Yu Le , Wang Bingyun , Hu Ruibin , Tang Jiahu , Lv Jiahui , Xiao Hongjun , Tan Xuan , Wang Guanghui , Li Jia‐Xin , Liu Ying , Shao Pan‐Lin , Zhang Bo 
Published: March 2024

AbstractOrganic small‐molecule fluorophores, characterized by flexible chemical structure and adjustable optical performance, have shown tremendous potential in biosensing. However, classical organic fluorophore motifs feature large overlap between excitation and emission spectra, leading to the requirement of advanced optical set up to filter desired signal, which limits their application in scenarios with simple settings. Here, a series of wavelength‐tunable small‐molecule fluorescent dyes (PTs) bearing simple organic moieties have been developed, which exhibit Stokes shift up to 262 nm, molar extinction coefficients ranged 30,000–100,000 M−1 cm−1, with quantum yields up to 54.8 %. Furthermore, these dyes were formulated into fluorescent nanoparticles (PT‐NPs), and applied in lateral flow assay (LFA). Consequently, limit of detection for SARS‐CoV‐2 nucleocapsid protein reached 20 fM with naked eye, a 100‐fold improvement in sensitivity compared to the pM detection level for colloidal gold‐based LFA. Besides, combined with loop‐mediated isothermal amplification (LAMP), the LFA system achieved the visualization of single copy level nucleic acid detection for monkeypox (Mpox).
Functionalized Phenanthrene Imide‐Based Polymers for n‐Type Organic Thin‐Film Transistors
Authors: Yang Jie , Li Jianfeng , Zhang Xiage , Yang Wanli , Jeong Sang Young , Huang Enmin , Liu Bin , Woo Han Young , Chen Zhicai , Guo Xugang 
Published: March 2024

AbstractHigh‐performing n‐type polymers are crucial for the advance of organic electronics field, however strong electron‐deficient building blocks with optimized physicochemical properties for constructing them are still limited. The imide‐functionalized polycyclic aromatic hydrocarbons (PAHs) with extended π‐conjugated framework, high electron deficiency and good solubility serve as promising candidates for developing high‐performance n‐type polymers. Among the PAHs, phenanthrene (PhA) features a well‐delocalized aromatic π‐system with multiple modifiable active sites . However, the PhA‐based imides are seldom studied, mainly attributed to the synthetic challenge. Herein, we report two functionalized PhAs, CPOI and CPCNI, by simultaneously incorporating imide with carbonyl or dicyanomethylene onto PhA. Notably, the dicyanomethylene‐modified CPCNI exhibits a well stabilized LUMO energy level (−3.84 eV), attributed to the synergetic inductive effect from imide and cyano groups. Subsequently, based on CPOI and CPCNI, two polymers PCPOI‐Tz and PCPCNI‐Tz were developed. Applied to organic thin‐film transistors, owing to the strong electron‐deficiency of CPCNI, polymer PCPCNI‐Tz shows an improved electron mobility and largely decreased threshold voltage compared with PCPOI‐Tz. This work affords two structurally novel electron‐deficient building blocks and highlights the effectiveness of dual functionalization of PhAs with strong electron‐withdrawing groups for devising n‐type polymers.
Unlocking Double Redox Reaction of Metal–Organic Framework for Aqueous Zinc‐Ion Battery
Authors: Deng Shenzhen , Xu Bingang , Zhao Jingxin , Kan Chi Wai , Liu Xinlong 
Published: March 2024

AbstractMetal–organic frameworks (MOFs) show wide application as the cathode of aqueous zinc‐ion batteries (AZIBs) in the future owning to their high porosity, diverse structures, abundant species, and controllable morphology. However, the low energy density and poor cycling stability hinder the feasibility in practical application. Herein, an innovative strategy of organic/inorganic double electroactive sites is proposed and demonstrated to obtain extra capacity and enhance the energy density in a manganese‐based metal–organic framework (Mn‐MOF‐74). Simultaneously, its energy storage mechanism is systematically investigated. Moreover, profiting from the coordination effect, the Mn‐MOF‐74 features with stable structure in ZnSO4 electrolyte. Therefore, the Zn/Mn‐MOF‐74 batteries exhibit a high energy density and superior cycling stability. This work aids in the future development of MOFs in AZIBs.
A facile strategy for preparing of cross‐linkable natural fibers based on a Schiff base reaction
Authors: Feng Yanhong , Liu Guangliang , Liang Yong , Lei Bo 
Published: March 2024

AbstractThe exploitation and utilization of natural fibers still face many challenges due to their high crystallinity and extensive hydrogen bond network. Therefore, sustainable and effective modification strategies are currently essential. In this work, we investigate the processing and mechanical performances of natural fibers modified by combining sodium periodate oxidation and subsequent Schiff base reaction. Steam‐exploded hemp fibers (HFs) were firstly oxidized with sodium periodate, and subsequently grafted with 1,10‐diaminodecane. A decrease in the glass transition temperature of oxidized‐aminated HFs (OAHFs) from 225 to 150°C was achieved as the dosage of periodate increased. Admirable mechanical properties were achieved despite a lower dosage of periodate due to melt bonding and chemical cross‐linking between the fibers during heat processing. Particularly, dynamic compression molding was applied to heat processes and effectively improved the melt bonding and the chemical crosslinking, which increased flexural strength from 58.2 to 69.9 MPa. This strategy was moderate and low cost. The resulted material has good processing performance and excellent mechanical properties, which have large industrial application prospects and potential in the field of biodegradable environment‐friendly materials.
The origin and evolution of Cynodontia (Synapsida, Therapsida): Reassessment of the phylogeny and systematics of the earliest members of this clade using 3D‐imaging technologies
Authors: Pusch Luisa C. , Kammerer Christian F. , Fröbisch Jörg 
Published: March 2024

AbstractThe origin of cynodonts, the group ancestral to and including mammals, is one of the major outstanding problems in therapsid evolution. One of the most troubling aspects of the cynodont fossil record is the lengthy Permian ghost lineage between the latest possible divergence from its sister group Therocephalia and the first appearance of definitive cynodonts in the late Permian. The absence of cynodonts and dominance of therocephalians in middle Permian strata has led some workers to argue that cynodonts evolved from within therocephalians, rendering the latter paraphyletic, but more recent analyses support the reciprocal monophyly of Cynodontia and Therocephalia. Furthermore, although a fundamental dichotomy in the derived subclade Eucynodontia is well‐supported in cynodont phylogeny, the relationships of more stemward cynodonts from the late Permian and Early Triassic are unresolved. Here, we provide a re‐evaluation of the phylogeny of Eutheriodontia (Cynodontia + Therocephalia) and an assessment of character evolution within the group. Using computed tomographic data derived from extensive sampling of the earliest known (late Permian and Early Triassic) cynodonts and selected exemplars of therocephalians and later (Middle Triassic onwards) cynodonts, we describe novel aspects of the endocranial anatomy of these animals. These data were incorporated into a new phylogenetic data set including a comprehensive sample of early cynodonts. Our phylogenetic analyses support some results previously recovered by other authors, but recover therocephalians as paraphyletic with regards to cynodonts, with cynodonts and eutherocephalians forming a clade to the exclusion of the “basal therocephalian” families Lycosuchidae and Scylacosauridae. Though both conservatism and homoplasy mark the endocranial anatomy of early non‐mammalian cynodonts, we were able to identify several new endocranial synapomorphies for eutheriodont subclades and recovered generally better‐supported topologies than previous analyses using primarily external craniodental characters.
Adaptive fault‐tolerant control for aircraft against control surface failure diagnosed by set‐membership estimation
Authors: Liu Kai , An Shuaibin , Tang Wentao , Hou Linfei 
Published: March 2024

AbstractThis paper focuses on the fault diagnosis method and the fault‐tolerant control method of the aircraft with control surface damage. The fault diagnosis method is based on the set‐membership estimation. To diagnose the fault of control surface under the condition of data containing noise and uncertainty, a multi‐index optimized fault residual observer based on sensitivity and robustness is designed for the observation of aircraft fault information. Based on the observed fault residual information, the set‐membership estimation theory is used to determine whether the aircraft control surface fault occurs. The fault‐tolerant control method is based on dynamic inverse control via aerodynamic parameter identification. Furthermore, to reduce the nonlinear effects of unmodeled dynamics and aerodynamic identification errors after a fault, an adaptive disturbance rejection observer is designed for control compensation. The proposed methods are evaluated by numerical simulation. Results demonstrate that the fault diagnosis method can effectively diagnose under the influence of uncertain noise and the attitude control has the robustness of different faults.
Metabolite profiling of Piper longum L. fruit volatiles by two‐dimensional gas chromatography and time‐of‐flight mass spectrometry: Insights into the chemical complexity
Authors: Dash Manaswini , Singh Subhashree , Sahoo Suprava , Dutt Malvika , Kar Basudeba 
Published: March 2024

AbstractPiper longum L. (long pepper) is an economically and industrially important medicinal plant. However, the characterization of its volatiles has only been analyzed by gas chromatography–mass spectrometry (GC–MS). In the present study, precise characterization of P. longum fruit volatiles has been performed for the first time through advanced two‐dimensional gas chromatography–time‐of‐flight spectrometry (GC×GC–TOFMS). A total of 146 constituents accounting for 93.79% were identified, of which 30 were reported for the first time. All these constituents were classified into alcohols (4.5%), alkanes (8.9%), alkenes (6.71%), esters (6.15%), ketones (0.58%), monoterpene hydrocarbons (1.64%), oxygenated monoterpenes (2.24%), sesquiterpene hydrocarbons (49.61%), oxygenated sesquiterpenes (13.03%), phenylpropanoid (0.23%), and diterpenes (0.2%). Among all the classes, sesquiterpene hydrocarbons were abundant, with germacrene‐D (2.87% ± 0.01%) as the major one, followed by 8‐heptadecene (2.69% ± 0.03%), β‐caryophyllene (2.43% ± 0.03%), n‐heptadecane (2.4% ± 0.04%), n‐pentadecane (2.11% ± 0.05%), and so forth. Further, 20 constituents were observed to be coeluted and separated precisely in the two‐dimensional column. The investigation provides an extensive metabolite profiling of P. longum fruit volatiles, which could be helpful to improve its therapeutic potential.
Insight into the Improvement Strategies of Aqueous Electrolyte for Aqueous Rechargeable Batteries
Authors: Cai Xinxin , Hu Zhiyu , Deng Wentao , Hou Hongshuai , Ji Xiaobo , Zou Guoqiang 
Published: March 2024

AbstractAqueous rechargeable batteries (ARBs) have attracted wide attention due to their rich resources, environmental friendliness, and safety. The high ionic conductivity, safety and interfacial wettability of the aqueous electrolyte are essential for energy storage devices. However, the narrow electrochemical stability window (ESW) of the aqueous electrolyte and the side reactions of the electrode/electrolyte lead to the low energy density of the ARBs. In the past studies, the above problems were generally solved by improving the ion transport characteristics of the electrolyte and the electrode/electrolyte interface. Herein, we discuss the background, limitations, and key concepts for performance improvement of aqueous electrolytes, aiming to provide a comprehensive perspective and inspiration for further research on aqueous electrolytes and promote their development and application in the field of energy storage.
Male psychologists and female mathematicians: Gender beliefs and undergraduate degree choices
Authors: Pownall Madeleine , Heflick Nathan 
Published: March 2024

AbstractGlobally, men and women are numerically dominant in undergraduate degrees in math and psychology, respectively. A variety of theoretical perspectives predict that individuals who adhere more to gender stereotypes will be more represented in gender‐dominant fields. Using a pre‐registered methodology, we recruited men and women enrolled in psychology and math degree programmes in the United Kingdom and assessed a variety of gender beliefs and identities. Overall, femininity was (marginally) higher in psychology, and higher amongst women generally. Moderated regression analyses revealed that women who were low in masculinity and high in femininity (the stereotypical pattern) were most likely to be in psychology degrees, whilst women who were low in both were most likely to be enrolled onto math programmes. For men, no component of gender identity or beliefs predicted degree programmes. Overall, these results demonstrate how dimensions of gender identity may account for gender differences in undergraduate representation. Specifically, women in STEM fields tend to not describe themselves in stereotypical masculine or feminine traits. We discuss implications for efforts to increase uptake of gender stereotype incongruent career paths (e.g., women in STEM) with a particular focus on how femininity may be rejected in counter‐stereotypical domains.
Four New Isocoumarins from the Mangrove Fungus Alternaria Malorum with Antimicrobial Activities
Authors: Fan Wei , Tao Yiwen , Jiang Canmin , Huang Qisen , Li Jiacong , Ding Weijia , Li Chunyuan 
Published: March 2024

AbstractFour new isocoumarins, alternariethers A–C (1–3) and alternariester (4) were separated from the fermentation of the fungus Alternaria malorum FL39, purified from Myoporum bontioides. Their structures were ascertained using NMR and HR‐ESI‐MS spectroscopy. For compound 4, the absolute configuration was solved with the help of ECD calculation and the DP4+ method. Compared with the positive control triadimefon, compound 1 showed more potent antifungal effects on Colletotrichum musae. The antifungal effects of compounds 1, 2, and 3 on Fusarium oxysporum and Fusarium graminearum, of compound 4 on F. oxysporum, were equal to those of triadimefon. Except for compound 4 which was inactive against Escherichia coli with O78 serotype, all compounds showed moderate or weak antibacterial activity against Staphylococcus aureus ATCC 6538 and E. coli with O6 or O78 serotype.
Characterization of two bacteriophages specific to Acinetobacter baumannii and their effects on catheters biofilm
Authors: Erol Hilal Basak , Kaskatepe Banu , Yildiz Sulhiye , Altanlar Nurten , Bayrakdar Fatma 
Published: March 2024

AbstractMultidrug‐resistant strains of Acinetobacter baumannii cause major nosocomial infections. Bacteriophages that are specific to the bacterial species and destroy bacteria can be effectively used for treatment. In this study, we characterized lytic bacteriophages specific to A. baumannii strains. We isolated lytic bacteriophages from environmental water samples and then investigated their morphology, host range, growth characteristics, stability, genome analysis, and biofilm destruction on the catheter surface. Our results showed that the efficacy of the phages varied between 32% and 78%, tested on 78 isolates of A. baumannii; 80 phages were isolated, and two lytic bacteriophages, vB_AbaP_HB01 (henceforth called C2 phage) and vB_AbaM_HB02 (henceforth called K3 phage), were selected for characterization. Electron microscopy scans revealed that the C2 and K3 phages were members of the Podoviridae and Myoviridae families, respectively. Whole‐genome sequencing revealed that the sequence of the C2 phage is available in the NCBI database (accession number: OP917929.1), and it was found sequence identity with Acinetobacter phage AB1 18%, the K3 phage DNA sequence is closely related to Acinetobacter phage vB_AbaM_phiAbaA1 (94% similarity). The cocktail of C2 and K3 phages demonstrated a promising decrease in the bacterial cell counts of the biofilm after 4 h. Under a scanning electron microscope, the cocktail treatment destructed the biofilm on the catheter. We propose that the phage cocktail could be a strong alternative to antibiotics to control the A. baumannii biofilm in catheter infections.
Delayed death of a child from chlorfenapyr poisoning: A case report and literature review
Authors: Zhan Yishan , Li Jing , Zhu Yourong , Tao Qiang , Zhang Shouhua 
Published: March 2024

Key Clinical MessageThis was the first article reported a fatal case of chlorfenapyr poisoning in a child, and the typical symptoms before death include high fever, severe sweating, coma, and limb stiffness, and elevation of myocardial enzymes and myoglobin; neurological symptoms tend to appear earlier in children than in adults.
Experimental study on dimensional variations of 3D printed dental models based on printing orientation
Authors: Perlea Paula , Stefanescu Cosmin , Dalaban Madalina‐Georgiana , Petre Alexandru‐Eugen 
Published: March 2024

Key Clinical MessageThis research investigates the trueness and precision of 3D printing technology in dental applications, specifically focusing on dimensional variations observed in models printed at different angles. The methodology involved importing a dental model into slicing software, adjusting its orientation, and implementing support structures for stability. Subsequently, the model underwent 3D printing five times for each orientation using appropriate equipment and underwent post‐processing steps, including cleaning, washing, and UV‐light post‐curing. The printed models were then scanned using a specialized desktop scanner for further analysis. Accuracy assessment was carried out using dedicated software, employing an algorithm for precise alignment by comparing the scanned files. Color deviation maps were utilized to visually represent variations, aiming to evaluate how positioning during printing influences the trueness and precision of 3D‐printed dental models. Trueness and precision analyses involved the Shapiro–Wilk test for normality and a one‐way ANOVA to compare means of three independent groups, with statistical analyses conducted using IBM SPSS Statistics software. The color maps derived from 3D comparisons revealed positive and negative deviations, represented by distinct colors. Comparative results indicated that models positioned at 0° exhibited the least dimensional deviation, whereas those at 90° showed the highest. Regarding precision, models printed at 0° demonstrated the highest reproducibility, while those at 15° exhibited the lowest. Based on the desired level of precision, it is recommended that printed models be produced at an inclination angle of 0°.
Socialane, a Nonaprenyl Terpene Hydrocarbon Surface Lipid from the Collembola Hypogastrura socialis
Authors: Möllerke Anton , Montes Vidal Diogo , Petter Leinaas Hans , Schulz Stefan 
Published: March 2024

AbstractSpringtails use unique compounds for their outermost epicuticular wax layer, often of terpenoid origin. We report here the structure and synthesis of socialane, the major cuticular constituent of the Collembola Hypogastrura socialis. Socialane is also the first regular nonaprenyl terpene with a cyclic head group. The saturated side chain has seven stereogenic centers, making the determination of the configuration difficult. We describe here the identification of socialane and a synthetic approach using the building blocks farnesol and phytol, enantioselective hydrogenation, and α‐alkylation of sulfones for the synthesis of various stereoisomers. NMR experiments showed the presence of an anti‐configuration of the methyl groups closest to the benzene ring and that the other methyl groups of the polyprenyl side‐chain are not uniformly configured. Furthermore, socialane is structurally different from [6+2]‐terpene viaticene of the closely related H. viatica, showing species specificity of the epicuticular lipids of this genus and hinting at a possible role of surface lipids in the communication of these gregarious arthropods.
Spiro‐Acridine Compound as a Pteridine Reductase 1 Inhibitor: in silico Target Fishing and in vitro Studies
Authors: de Oliveira Viana Jéssika , Sena Mendes Marina , Santos Castilho Marcelo , Olímpio de Moura Ricardo , Guimarães Barbosa Euzébio 
Published: March 2024

AbstractAmong the many neglected tropical diseases, leishmaniasis ranks second in mortality rate and prevalence. In a previous study, acridine derivatives were synthesized and tested for their antileishmanial activity against L. chagasi. The most active compound identified in that study (1) showed a single digit IC50 value against the parasite (1.10 μg/mL), but its macromolecular target remained unknown. Aiming to overcome this limitation, this work exploited inverse virtual screening to identify compound 1’s putative molecular mechanism of action. In vitro assays confirmed that compound 1 binds to Leishmania chagasi pteridine reductase 1 (LcPTR1), with moderate affinity (Kd=33,1 μM), according to differential scanning fluorimetry assay. Molecular dynamics simulations confirm the stability of LcPTR1‐compound 1 complex, supporting a competitive mechanism of action. Therefore, the workflow presented in this work successfully identified PTR1 as a macromolecular target for compound 1, allowing the designing of novel potent antileishmanial compounds.