bluuebunny/crossref_metadata_2025_split huggingface dataset:
Endo‐Encapsulated Multi‐Resonance Dendrimers with Through‐Space Interactions for Efficient Narrowband Blue‐Emitting Solution‐Processed OLEDs
Authors: Chang Yufei , Zhang Kaiyuan , Zhao Lei , Wang Xingdong , Wang Shumeng , Shao Shiyang , Wang Lixiang 
Published: October 2024

AbstractDifferent from conventional luminescent dendrimers with fluorophore tethered outside to dendron, here we first developed endo‐encapsulated luminescent dendrimers with multi‐resonance (MR) fluorophore embedded inside of carbazole dendrons by growing dendrons through 1,8‐positions of central carbazole moiety to create a cavity for accommodating the fluorophore. This endo‐encapsulated structure not only shields the fluorophore to fully resist aggregation‐caused spectral broadening, but also induce through‐space interactions between dendron and fluorophore via intramolecular π‐stacking, giving lowered singlet state energy and reduced singlet‐triplet energy splitting to accelerate reverse intersystem crossing (RISC) from triplet to singlet states. The resultant dendrimer containing 1,8‐linked second‐generation carbazole dendrons and boron, sulfur‐doped polycyclic MR fluorophore exhibits narrowband blue emission at 471 nm with FWHM kept at 34 nm even in neat film, together with ~4 times enhancement of RISC rate constant compared to its exo‐tethered counterpart. Solution‐processed OLEDs based on the endo‐encapsulated dendrimer reveal efficient narrowband blue emissions with maximum external quantum efficiency of 22.6 %, representing the best device efficiency for blue‐emitting multi‐resonance dendrimers so far.
The age and position of the southern boundary of prehistoric Polynesian dispersal
Authors: Anderson Atholl , Becerra‐Valdivia Lorena , Cadd Haidee , Marjo Christopher E. , Palmer Jonathan , Turney Chris , Wilmshurst Janet M. 
Published: October 2024

AbstractPrehistoric Polynesian voyaging into high latitudes with landfall in Antarctica remains a widely credited proposition. We examine it through archaeological and environmental evidence from the Subantarctic region of the southwest Pacific, focussing upon an extensive archaeological site at Sandy Bay on Enderby Island. Combining a new set of radiocarbon ages with former, older, ages we show that the site is now within the same rapid expansion phase in which South Polynesia was first colonised. Radiocarbon ages across the site indicate a single continuous settlement, probably of some decades. Consideration of limiting factors in Subantarctic settlement, including of seafaring capability and critical resources, suggests that the site was about as far south as prehistoric habitation could be sustained and was probably vacated at the onset of the Little Ice age (LIA) in the late 14th century. An absence of prehistoric remains on islands further south also suggests that Polynesian exploration reached a boundary 2000 km short of Antarctica. The southern case is discussed briefly in the wider context of Polynesian expansion.
ZnO with Different Morphologies Sensitized by Metalloporphyrins as Catalysts for H2 Production by Water Splitting Under Sunlight
Authors: Stival João F. , Cechin Camila N. , Iglesias Bernardo A. , Lang Ernesto S. , Rebouças Júlio S. , Nakagaki Shirley 
Published: October 2024

AbstractIn this work, zinc oxide with different morphologies and textural properties were prepared and sensitized with metalloporphyrins (MPs) aiming to improve its solar energy harvesting capability for H2 production by water splitting under sunlight (a 300 W Xe/Hg lamp). An anionic iron(III)porphyrin and a cationic manganese(III)porphyrin were immobilized on different ZnO solids predominantly by electrostatic interactions. In general, the prepared MP‐free ZnO solid yielded modest catalytic results which had apparently no direct correlation with their textural properties or morphology. On the other hand, when these ZnO solids had iron or manganese porphyrin sensitizing them, their catalytic performances changed and a superior yield towards H2 production was observed in comparison to the pure ZnO solids, making evident the synergy achieved between these two components (ZnO and metalloporphyrins) for the prepared solids. It was also observed that the metalloporphyrins and the respective free‐base ligand suffered redox reactions when used as homogenous catalyst in this reaction, which could influence their performances as catalysts. The same was not observed in the solids containing immobilized MP, suggesting some protective effect of the ZnO solids on the MP complexes upon immobilization probably due to interaction of the complexes with the ZnO matrix.
Photometric and Kinematic Studies of Open Clusters Ruprecht 1 and Ruprecht 171
Authors: Çakmak Hikmet , Yontan Talar , Bilir Selçuk , Banks Timothy S. , Michel Raúl , Soydugan Esin , Koç Seliz , Erçay Hülya 
Published: October 2024

ABSTRACTThis study outlines a detailed investigation using CCD UBV and Gaia DR3 data sets of the two open clusters Ruprecht 1 (Rup‐1) and Ruprecht 171 (Rup‐171). Fundamental astrophysical parameters such as color excesses, photometric metallicities, ages, and isochrone distances were based on UBV‐data analyses, whereas membership probability calculations, structural and astrophysical parameters, as well as the kinematic analyses were based on Gaia DR3‐data. We identified 74 and 596 stars as the most probable cluster members with membership probabilities over 50% for Rup‐1 and Rup‐171, respectively. The color excesses were obtained as and mag for Rup‐1 and Rup‐171, respectively. Photometric metallicity analyses were performed by considering F‐G type main‐sequence member stars and found to be and dex for Rup‐1 and Rup‐171, respectively. Ages and distances were based on both UBV and Gaia‐data analyses; according to isochrone‐fitting these values were estimated to be Myr, pc for Rup‐1 and Myr, pc for Rup‐171. The present‐day mass function slope of Rup‐1 was estimated as and Rup‐171 as . Galactic orbit integration analyses showed that both of the clusters might be formed outside the solar circle.
Dammarane‐Type Saponins from the Leaves of Vietnamese Ginseng (Panax vietnamensis Ha & Grushv.) and Their Acetylcholinesterase Inhibition In Vitro and In Silico
Authors: Vu Van Tuan , Hieu Nguyen Ngoc , Hiep Dang Hoang , Anh Nguyen Thi Hoang , Ngan Dang Thi , Tung Pham Ha Thanh , Thuong Phuong Thien , Tung Nguyen Huu 
Published: October 2024

AbstractVietnamese ginseng (Panax vietnamensis Ha & Grushv.) represents one of the famous Panax spp. for valuable applications in both traditional and modern medicine; in which, its rhizome part has mainly been used as the medicinal materials based on the bioactive ginsenosides such as ginsenoside Rb1, ginsenoside Rg1, ginsenoside Rd, and majonoside R2. In modern medicine, the development of medicinal materials and utilization of medicinal plants are crucially based on standard bioactive ingredients, so this study to evaluate the leaves of Vietnamese ginseng as source of bioactive ginsenoside led to the identification of seven ginsenosides (1–7). Of them, ginsenoside Rd (2) and pseudoginsenoside RS1 (5) showed inhibitory effects on acetylcholinesterase in vitro with the IC50 values of 47.13 and 79.58 μM and supported by molecular docking analysis, in which ginsenoside Rd (2) and pseudoginsenoside RS1 (5) could play as allosteric inhibitors with high binding affinity (−8.5 and −9.4 kcal/mol) as evidenced by hydrogen bonding and hydrophobic interactions. The findings provided the scientific evidence for using the leaves of Vietnamese ginseng as an alternative source to the roots to enhance memory in traditional medicine as well as for further research on the anti‐dementia effects of 2 and 5.
In‐silico Screening and Synthesis of Benzo[c]Pyridazines Targeting N‐Methyl D‐Aspartate Glutamate Receptor for the Treatment of Seizures
Authors: Shankar Mishra Prem , Mishra Rakhi , Malik Abdul , Ali Khan Azmat 
Published: October 2024

AbstractThis study focuses on synthesizing novel benzopyridazine compounds with an evaluation of their anti‐epileptic activity by in‐silico screening and MES test. The compounds were synthesized under controlled conditions by the reaction of the substituted anilines with sodium nitrite, followed by the reaction with cyanoacetamide, substituted urea, ethanol, and water. The final compounds (5a–d; 6a–d) were tested for antiepileptic activity by in‐silico screening targeting N‐Methyl D‐Aspartate glutamate receptor (PDB ID:5IPV). The screened compounds are also evaluated by in vivo test (MES) by taking phenytoin as a standard drug. The results of the whole study were satisfactory with the yield of the compounds in the range of 88 % to 96 %. The results of in‐ silico, screening showed that compounds 6a and 6c have far more binding energy compared with standard phenytoin (6a −7.5 Kcal/mol. ; 6c −7.6 Kcal/mol. and Phenytoin −6.5 Kcal/mol.). The TD50 values of synthesized compounds (6a–6d) are observed to be significantly higher than those of standard phenytoin. The PI values of several synthetic compounds (6a and 6c) were found to be higher (55.8 % and 58.0 %) than the current antiepileptic medicine phenytoin (55.6 %), demonstrating the synthesized compound‘s safety potential.
Study on the Chemical Components and Anti‐Neuroinflammatory Activity of the Roots of Clausena excavate Burm. f.
Authors: Wang Yingjie , Sun Fuxin , Liang Yapeng , Yan Mi , Hou Yue , Hua Huiming , Zhou Di , Li Ning 
Published: October 2024

AbstractThe ethanol extract of the roots of Clausena excavata gave two previously undescribed coumarins, clauexcatin A (1) and clauexcatin B (2), as well as a pair of new isomers, trans/cis‐clauexcatin C (3a, 3b), along with thirty known compounds. Among these, compound 33 was isolated from this genus for the first time. The structures of these compounds were elucidated based on their physicochemical properties and spectroscopic data. The anti‐neuroinflammatory activities were assessed using LPS‐activated BV‐2 microglial cells. Compounds 6, 8, 17, 24, 29, and 30 exhibited significant inhibition of nitric oxide release in a dose‐dependent manner, with their inhibitory effects being 1.2 to 10.9 times greater than that of the positive control (minocycline).
Synthesis and Application of a Versatile Immunoproteasome Activity Probe
Authors: Halder Saayak , Loy Cody A. , Trader Darci J. 
Published: October 2024

AbstractThe immunoproteasome (iCP) has gained significant interest in recent years as it has been discovered to be significantly expressed under inflammatory conditions, as well as playing significant roles in several diseases, such as autoimmune disorders, viral infection, and cancer. Selective inhibitors have been generated as a method to overcome the off‐target effects of current proteasome inhibitor therapeutics. However, selective probes that allow for monitoring this protein complex remain limited, hindering our understanding of the iCP. Current probes are non‐selective, not commercially available, or require difficult synthesis. Here, we describe the modular synthesis and application of an iCP‐selective probe. The modular nature of the synthetic strategy can enable the incorporation of different fluorophores and covalent warheads, demonstrating the versatility of this probe.
Oxygen‐Doped Porous Ultrathin Graphitic Carbon Nitride Nanosheets for Photocatalytic Hydrogen Evolution and Rhodamine B Degradation
Authors: Liu Tao , Zeng Yan , Ma Tao , Liang Feng 
Published: October 2024

AbstractGraphite phase carbon nitride (g−C3N4) is a highly promising metal‐free photocatalyst, but its low activity, due to limited quantum efficiency and small specific surface area, restricts its practical application. While exfoliating bulk crystals into porous thin‐layer nanosheets and incorporating dopants have been shown to improve photocatalytic efficiency, these methods are typically complex, time‐consuming, and costly processes. In this study, we developed a simple approach to synthesize oxygen‐doped porous g−C3N4 (OCN) nanosheets. The resulting OCN exhibited significantly enhanced light absorption and visible‐light photocatalytic activity compared to bulk g−C3N4 (BCN) and g−C3N4 (CN). The OCN achieved an impressive hydrogen evolution reaction (HER) rate of 8.02 mmol g−1 h−1, eight times greater than BCN, and demonstrated a high Rhodamine B (RhB) degradation rate of 97.3 % owing to the generation of abundant singlet oxygen. These improvements in photocatalytic performance are attributed to the narrow band gap and enhanced electron transfer properties, suggesting a promising route for the efficient design of g−C3N4‐based photocatalysts.
Negative Flashforward Imagery in Adolescent Social Anxiety Disorder: A Pilot Study of Imagery Reports and a Short EMDR Intervention
Authors: Thunnissen Marjolein R. , de Jong Peter J. , Weijermans Jiska , Vet Leonieke J. J. , Rijkeboer Marleen M. , Nauta Maaike H. 
Published: October 2024

ABSTRACTPsychological treatments for social anxiety disorder (SAD) in adolescents have shown poorer outcomes than for other anxiety disorders. A relevant factor to consider for improving outcomes may be negative imagery. In this pilot study, we examined negative ‘flashforward’ imagery of feared catastrophic outcomes in adolescents with SAD and evaluated the feasibility and preliminary outcomes of a short eye movement desensitization and reprocessing (EMDR) intervention targeting this imagery. We used a case series design with a 1‐week baseline period. Outcomes included symptoms of social anxiety and avoidance related to selected social situations and features of associated flashforward imagery as the proposed mechanism of change during the intervention. We found that six out of seven assessed adolescents reported to experience flashforwards and rated image distress, vividness and threat appraisal as high. In these six participants (aged 14–17 years old), the short EMDR flashforward intervention appeared feasible and was followed by a decrease in social anxiety and avoidance in five participants, while no notable changes were observed during the baseline period. Furthermore, we observed a decrease in flashforward imagery features in at least five participants. Nonparametric tests of the overall (group‐based) changes during the intervention period partially supported these findings. Limitations include the small sample size and the lack of a control group. Results suggest that vivid and distressing flashforward imagery is a common experience and that targeting flashforwards with EMDR may be beneficial in treating social anxiety in youth. Further experimental research on effects and added value to current treatments is necessary.Trial Registration: Dutch Clinical Trial Register (National Trial Register [NTR]): NL8974
Simulated exploration of parameter space and resource allocation for strategic creation of neo‐domestication breeding programs
Authors: Fumia Nathan , Zenil‐Ferguson Rosana , Wolfe Marnin , Kantar Michael 
Published: October 2024

AbstractModern domestication efforts have occurred in a wide range of species. These efforts have led to different levels of change from the initial wild populations and market success. In this study, we explore different breeding cycle parameters to understand the rate of change in different potential starting points of neo‐domestication breeding programs. The design of a program that will bring a new crop to market requires consideration of cost efficiency and resource allocation. More crop diversity on the market creates an opportunity to design different types of food systems that can be tailored toward regional and local food security. Stochastic simulation of the rate of gain and variance is applied to different parameter combinations through the breeding cycle—crossing, evaluation, and selection—to identify population level changes along the continuum of wild to semi‐domestic plant species. The simulated breeding schemes differ in phenotypic gain and variance depending on selection strategy and population type, discovering the largest phenotypic gain of oligogenic traits occurring using phenotypic recurrent selection for landrace and orphan populations while choosing genomic selection for wild populations. There were also differences based on selection strategy, with maximum avoidance consistently leading to lower gains but higher additive variance. Overall, when looking to domesticate a new species, our simulations find phenotypic recurrent selection to be the most cost‐effective option and lead to the most gain in early generations of selection, with marker technology being most useful once initial gains have plateaued.
Deciphering Electrocatalytic Hydrogen Production in Water Through a Bioinspired Water‐Stable Copper(II) Complex Adorned with (N2S2)‐Donor Sites
Authors: Diyali Sangharaj , Saha Subhajit , Diyali Nilankar , Bhattacharjee Avantika , Mallick Abhishek , Agrawalla Suraj Kumar , Purohit Chandra Shekhar , Biswas Bhaskar 
Published: October 2024

AbstractElectrocatalytic hydrogen production stands as a pivotal cornerstone in ushering the revolutionary era of the hydrogen economy. With a keen focus on emulating the significance of hydrogenase‐like active sites in sustainable H2 generation, a meticulously designed and water‐stable copper(II) complex, [Cl−Cu−LN2S2]ClO4, featuring the N,S‐type ligand, LN2S2 (2,2′‐((butane‐2,3‐diylbis(sulfanediyl))bis(methylene))dipyridine), has been crafted and assessed for its prowess in electrocatalytic H2 production in water, leveraging acetic acid as a proton source. The molecular catalyst, adopting a square pyramidal coordination geometry, undergoes ‐Cl substitution by H2O during electrochemical conditions yielding [H2O−Cu−LN2S2]2+ as the true catalyst, showcases outstanding activity in electrochemical proton reduction in acidic water, achieving an impressive rate of 241.75 s−1 for hydrogen generation. Controlled potential electrolysis at −1.2 V vs. Ag/AgCl for 1.6 h reveals a high turnover number of 73.06 with a commendable Faradic efficiency of 94.2 %. A comprehensive analysis encompassing electrochemical, spectroscopic, and analytical methods reveals an insignificant degradation of the molecular catalyst. However, the post‐CPE electrocatalyst, present in the solution domain, signifies the coveted stability and effective activity under the specified electrochemical conditions. The synergy of electrochemical, spectroscopic, and computational studies endorses the proton‐electron coupling mediated catalytic pathways, affirming the viability of sustainable hydrogen production.
Mechanistic Study of the Electrochemical Reduction of CO2 in Aprotic Ionic Liquid in Air
Authors: Iijima Go , Sugiura Kyosuke , Morishita Kenichi , Shingai Hajime , Naruse Junichi , Yamamoto Atsushi , Fujita Yuki , Yoto Hiroaki 
Published: October 2024

AbstractThe capture and electrochemical conversion of dilute CO2 in air is a promising approach to mitigate global warming. Aiming to increase the efficiency of the electrochemical reduction of CO2, we fabricated electrodes and developed a custom‐designed sealed electrochemical reaction system to study the mechanism of this conversion. The performance of three metal electrodes, Ag, Cu, and SUS 316 L, was compared in an aprotic ionic liquid as the electrolyte to monitor the CO2 concentration and chemical reactions using a CO2 sensor and diffuse reflectance infrared Fourier transform spectroscopy and Raman spectroscopy in CO2/N2 (400 ppm CO2 and 99.96 % N2) or synthetic air (400 ppm CO2, 21 % O2, and 79 % N2). The CO2 concentration decreased at negative potentials and was more drastic in synthetic air than in CO2/N2. At negative potential in synthetic air, IR revealed carbon monoxide, carbonate, or peroxydicarbonate on the Ag, Cu, or SUS 316L electrodes, respectively. Reaction intermediates were identified using Raman spectroscopy. Superoxide (O2⋅−), produced by the reduction of O2 on each electrode, promotes the electrochemical reduction of CO2 whose reduction potential is higher on the negative side than that of O2. This research deepens our understanding of the electrochemical capture/release and conversion of dilute CO2.
Eniluracil blocks AREG signalling‐induced pro‐inflammatory fibroblasts of melanoma in heart failure
Authors: Ran Qin , Chen Long 
Published: October 2024

AbstractAimsHeart failure (HF) is characterized by a heightened risk of melanoma, which often metastasizes to the heart. The overlap pathology between HF and melanoma includes chronic low‐grade inflammation and dysregulation of inflammatory cancer‐associated fibroblasts (iCAFs). The impact of HF on iCAF‐driven tumour inflammation remains obscure.Methods and ResultsTo identify critical genes for HF development, transcriptomic data (GSE57338) containing 313 clinical HF samples [136 healthy controls, 95 ischaemia (ISCH) and 82 dilated cardiomyopathy (DCM)] were analysed to screen differentially expressed genes (DEGs) and perform enrichment analysis. Fifty‐one DEGs in ISCH and 62 DEGs in DCM were identified with log2|fold change (FC)| ≥ 1 and P value ≤0.05. All these genes are involved in extracellular matrix organization, immune/inflammatory responses and Wnt signalling pathways. Then, the overall survival curves and prognostic models of DEGs in melanoma were evaluated. The correlation of gene expression with lymphocyte infiltration levels was assessed. Only aldehyde oxidase 1 (AOX1) and amphiregulin (AREG) maintained the same trend in melanoma as in HF, negatively affecting prognosis by regulating lymphocyte infiltration (log‐rank P value = 0.0017 and 0.0019). The potential drug molecules were screened, and the binding energies were calculated via molecular docking. Eniluracil, a known AOX1 targeting drug, was found to stably bind with AREG (hydrogen bond binding energies: −65.633, −63.592 and −62.813 kcal/mol).ConclusionsThe increased prevalence of melanoma in HF patients and its propensity for cardiac metastasis may be due to AREG‐mediated systemic low‐grade inflammation. Eniluracil holds promise as a therapeutic agent that may block AREG signalling, inhibiting the activation of iCAF mediated by regulatory T cell (Treg) and neutrophil.