bluuebunny/crossref_metadata_2025_split huggingface dataset:
Acene‐Integrated Buckybowls with Near‐Infrared II Absorption and over 90 % Photothermal Conversion Efficiency
Authors: Liu Xinyue , Chen Binjie , Wang Min , Gu Xinggui , Zhang Lei 
Published: September 2024

AbstractTetracene and pentacene are large, promising building blocks for construction of complex molecular nanocarbons due to their extraordinary photophysical and electronic properties. Herein, two acene‐integrated buckybowls, composed of two rows of tetracenes and pentacenes fused through s‐indacene unit at the zigzag edges, have been synthesized and characterized. Compared to parent tetracene and pentacene, the buckybowls are extremely stable and show much smaller electrochemical band gaps. Kinetic studies gave the bowl‐to‐bowl inversion barriers of 11.7 and 13.3 kcal mol−1. Subsequent investigations on magnetic ring currents revealed two local diatropic currents at two rows of acenes and one paratropic current at the s‐indacene unit, respectively. Notably, both buckybowls show a broad absorption that reaches into near‐infrared II region, and a high photothermal conversion efficiency (>90 %) was achieved when exposed to near‐infrared 1064 nm laser photo‐irradiation. This study highlights the unusual nature of merging the intrinsic properties of acenes with the inherent properties of buckybowls and showcases a potential avenue for acene utilization for the design of novel complex nanocarbons with a broad range of applications.
Integrating Multiple Redox‐Active Units into Conductive Covalent Organic Frameworks for High‐Performance Sodium‐Ion Batteries
Authors: Ke Si‐Wen , Li Wei , Gao Lei , Su Jian , Luo Rengan , Yuan Shuai , He Ping , Zuo Jing‐Lin 
Published: September 2024

AbstractThe rational design of porous covalent organic frameworks (COFs) with high conductivity and reversible redox activity is the key to improving their performance in sodium‐ion batteries (SIBs). Herein, we report a series of COFs (FPDC‐TPA‐COF, FPDC‐TPB‐COF, and FPDC‐TPT‐COF) based on an organosulfur linker, (trioxocyclohexane‐triylidene)tris(dithiole‐diylylidene))hexabenzaldehyde (FPDC). These COFs feature two‐dimensional crystalline structures, high porosity, good conductivity, and densely packed redox‐active sites, making them suitable for energy storage devices. Among them, FPDC‐TPT‐COF demonstrates a remarkably high specific capacity of 420 mAh g−1 (0.2 A g−1), excellent cycling stability (~87 % capacity retention after 3000 cycles, 1.0 A g−1) and high rate performance (339 mAh g−1 at 2.0 A g−1) as an anode for SIBs, surpassing most reported COF‐based electrodes. The superior performance is attributed to the dithiole moieties enhancing the conductivity and the presence of redox‐active carbonyl, imine, and triazine sites facilitating Na storage. Furthermore, the sodiation mechanism was elucidated through in situ experiments and density functional theory (DFT) calculations. This work highlights the advantages of integrating multiple functional groups into redox‐active COFs for the rational design of efficient and stable SIBs.
Opening the Hysteresis Loop in Ferromagnetic Fe3GeTe2 Nanosheets Through Functionalization with TCNQ Molecules
Authors: Sasi Kumar Govind , Ruiz Alberto M. , Garcia‐Oliver Jaime , Xin Yan , Baldoví José J. , Shatruk Michael 
Published: September 2024

AbstractFerromagnetic metal Fe3GeTe2 (FGT), whose structure exhibits weak van‐der‐Waals interactions between 5‐atom thick layers, was subjected to liquid‐phase exfoliation (LPE) in N‐methyl pyrrolidone (NMP) to yield a suspension of nanosheets that were separated into several fractions by successive centrifugation at different speeds. Electron microscopy confirmed successful exfoliation of bulk FGT to nanosheets as thin as 6 nm. The ferromagnetic ordering temperature for the nanosheets gradually decreased with the increase in the centrifugation speed used to isolate the 2D material. These nanosheets were resuspended in NMP and treated with an organic acceptor, 7,7,8,8‐tetracyano‐quinodimethane (TCNQ), which led to precipitation of FGT‐TCNQ composite. The formation of the composite material is accompanied by charge transfer from the FGT nanosheets to TCNQ molecules, generating TCNQ⋅− radical anions, as revealed by experimental vibrational spectra and supported by first principles calculations. Remarkably, a substantial increase in magnetic anisotropy was observed, as manifested by the increase in the coercive field from nearly zero in bulk FGT to 1.0 kOe in the exfoliated nanosheets and then to 5.4 kOe in the FGT‐TCNQ composite. The dramatic increase in coercivity of the composite suggests that functionalization with redox‐active molecules provides an appealing pathway to enhancing magnetic properties of 2D materials.
Direct Synthesis of Perovskite Quantum Dot Photoresist for Direct Photolithography
Authors: Zhou Xiaochen , Gao Zhiyuan , Shi Jianbing , Li Tianhe , Wei Shunsheng , Huang Peng , Zhang Pingping , Yang Gaoling 
Published: September 2024

AbstractPerovskite quantum dots (PQDs) photoresists are promising building blocks for photolithographically patterned devices. However, their complex synthesis and combination processes limit their optical properties and potential patterning applications. Here, we present an exceptionally simple strategy for the synthesis of PQDs photoresist. Unlike traditional approaches that involve centrifugation, separation, and combination processes, our direct synthesis technique using polymerizable acrylic monomer as solvent to fabricate PQDs photoresists without complex post‐synthesis process. We demonstrate that the change in solubility of the precursors is the main reason for the formation of PQDs in the polymerizable monomer. By direct photolithography, colorful PQD patterns with high photoluminescence quantum yields and high thickness are successfully demonstrated. This work opens a new avenue for the direct synthesis of PQDs photoresist, expanding their applications in various integrated applications, such as photonic, energy harvesting, and optoelectronic devices.
N‐Heterocyclic Carbene–Based Catalysts for Glycerol Valorisation: Current State and Perspectives
Authors: Cárdenas‐Acero Alexander , Blanco Carolina , Baquero Edwin A. 
Published: September 2024

ABSTRACTN‐Heterocyclic carbenes (NHCs) are molecules with exceptional catalytic properties in a wide range of reactions. Recently, there has been a growing interest in using them as catalysts for biomass conversion. In this review, we examine the current state of glycerol valorisation (GV) using several catalytic systems, including metallic complexes bearing NHCs as ligands, polymeric building blocks and organocatalysts. The study covers literature published in the last 15 years, detailing the catalyst scope, reaction conditions and products of GV. This analysis emphasises the importance of varying the steric and electronic properties of NHCs within the reviewed catalytic systems. Furthermore, a critical evaluation of the proposed mechanistic pathways complements these results. A comprehensive understanding of the challenges of using such catalytic systems will emerge by compiling literature on the use of NHCs for the studied reactions. Additionally, this will promote new opportunities for further research in both academic and industrial fields.
An imidazole‐copper(I) metallacycle complex exhibiting thermochromic fluorescence
Authors: Yu Zongsu , Wu Dayu 
Published: September 2024

AbstractIn this paper, we firstly report the synthesis and structural characterization of a discrete coordination metallacycle complex, [CuI (bipy)]2 (1). The x‐ray diffraction structure, temperature‐dependent electronic absorption, and photoluminescence spectra have been investigated. The solid‐state fluorescence at variable temperatures shows that complex 1 exhibits an obvious thermochromic fluorescence. At low temperature, the dual fluorescence with peaks at 590 and 694 nm was observed. The emission color significantly changes from red at 77 K to yellow at 200 K and blue‐green at 330 K. The thermochromic fluorescent molecular materials show great potential as temperature sensing.
Synthesis, Molecular Docking, and Anticancer Screening of Ester‐Based Thiazole Derivatives
Authors: Musa Mustapha , Bello Muhammadu , Agwamba Ernest C. 
Published: September 2024

AbstractThis study investigates the potential of five compounds as novel anticancer agents. We examined their efficacy, mechanisms of action, and impact on various cancer cell lines, through a comprehensive set of experiments. Notably, compound 3e demonstrated superior activity compared to the positive control cisplatin, with a GI50 value of 6.3±0.7 μM against the breast cancer cell line (MCF‐7). Compound 3b also displayed remarkable growth inhibition, yielding GI50 values of 8.7±0.2 μM (MCF‐7) and 8.9±0.5 μM against the colon cancer cell line (HCT‐116). Cell count experiments further confirmed the potent inhibitory effects of compounds 3e, 3b, and 3c on MCF‐7 and HCT‐116 cell growth. Compound 3e demonstrated a reduction of 55–60 % at GI50 and complete inhibition (100 %) at 2x GI50. Compound 3b exhibited 50–55 % reduction (GI50) and 90–95 % inhibition (2x GI50) in HCT‐116 cells. Compound 3c displayed 75–80 % inhibition (2x GI50) and 35–40 % inhibition (GI50) in HCT‐116 cells. In‐depth mechanistic investigations unveiled valuable insights into the mode of action of compound 3e. The cell‐cycle assay demonstrated G2/M phase arrest, DNA damage, and caspase‐mediated apoptosis in both MCF‐7 and HCT‐116 cells. Caspase activation indicated a significant increase in apoptosis following exposure to compound 3e. Furthermore, compound 3e induced reactive oxygen species (ROS) production, influencing HCT‐116 and MCF‐7 cells differently. Elevated ROS production in HCT‐116 cells and distinct effects in MCF‐7 cells contribute to a deeper understanding of the cytotoxic mechanisms of compound 3e. Overall, these findings highlight the potential of the investigated compounds, particularly compound 3e, as effective inducers of apoptosis in cancer cells. Mechanistic insights into cell cycle arrest, caspase‐mediated apoptosis, and ROS modulation provide a comprehensive understanding of their cytotoxic effects. This study offers significant contribution to the development of promising anticancer agents and their therapeutic applications.
One New Quinazoline‐Containing Diketopiperazine Isolated from the Marine‐Sponge‐Derived Fungus Penicillium sp. SCSIO41043
Authors: Cao Qinlin , Pang Xiaoyan , Chen Zhiyun , Wang Junfeng , Zhou Xuefeng , Yang Bin , Liu Yonghong 
Published: September 2024

AbstractOne new quinazoline‐containing diketopiperazine (1), along with 24 known compounds including nine alkaloids (2–9, and 25), thirteen lactones (10–22), aspterric acid (23), and catechol (24), were isolated from the marine sponge‐derived Penicillium sp. SCSIO41043. Their planar structures were unequivocally elucidated by spectroscopic analysis. The absolute configuration of 1 was determined by a comparison of reported and experimental electronic circular dichroism (ECD) spectra. Compound 16 was found to notably inhibit the growth of five pathogenic bacteria and fungi with MIC values ranging from 0.5–16.0 μg/mL. Compounds 7, 17, 20, and 22 demonstrated moderate activity against Micrococcus luteus with MIC values ranging from 35.6 to 71.1 μg/mL. Moreover, 1–3 displayed different degrees of antioxidant activity with EC50 values of 0.98, 0.60, 0.46 mg/mL, respectively.
Cholecystocolonic fistula secondary to ascending colon diverticular disease: A case report
Authors: Bhojani Fatima , Ahmed Memon Wasim , Ahmad Muhammad Nadeem , Muhammad Zohaib Uddin Mallick , Khan Sibgha , Nadeem Naila , Khan Faheemullah , Zafar Uffan 
Published: September 2024

Key Clinical MessageCholecystocolonic fistula occurring as a complication of colonic diverticular disease is a rarely encountered clinical entity in which the patient may remain asymptomatic or present with vague abdominal or systemic symptoms. Imaging studies are usually not very reliable or effective in detecting direct communication between gallbladder and colon. However, indirect signs such as pneumobilia, gallstones, gallbladder adherent to colon and colonic diverticulosis may help reach the diagnosis. Treatment of cholecystocolonic fistula in symptomatic patients is usually surgical. However, in asymptomatic patients or patients with risk factors and comorbidities, non‐surgical options such as conservative management or biliary stenting can be considered.
Oxidative Alkylarylation of N‐Aryl Bicyclobutyl Amides with C(sp3)–H Feedstocks via C(sp3)–H/C(sp2)–H Functionalization
Authors: Yuan Jing , Zhou Jiao , Xia Peng‐Fei , Liu Yu , Tang Ke‐Wen , Fan Jian‐Hong 
Published: September 2024

Comprehensive SummaryThe difunctionalization of bicyclo[1.1.0]butanes is an under‐explored transformation that accesses to moieties that are otherwise difficult to prepare. Herein, a new oxidative radical alkylarylation of N‐aryl bicyclobutyl amides with C(sp3)−H feedstocks is achieved in an atom‐economic and photocatalyst‐ and light‐free manner. This protocol follows a sequential C(sp3)–H/C(sp2)–H functionalization, providing an efficient route for diversity‐oriented synthesis of functionalized 3‐spirocyclobutyl oxindoles. In particular, a wide range of C(sp3)−H feedstocks, including ether, alcohol, amine, thioether, polychlorinated methane, silane, acetone, acetonitrile, toluene, and alkane are all suitable for the C(sp3)−H functionalization, demonstrating the broad applicability of this transformation.
HN1 expression contributes to mitotic fidelity through Aurora A‐PLK1‐Eg5 axis
Authors: Özduman Gülseren , Şimşek Faruk , Javed Aadil , Korkmaz Kemal Sami 
Published: September 2024

AbstractHematological and neurological expressed 1 (HN1) is homolog of Jupiter protein from Drosophila melanogaster where it functions as a microtubule‐associated protein. However, in mammalian cells, HN1 is associated partially with y‐tubulin in centrosomes, Stathmin for stabilizing microtubules, and Cdh1 for regulating Cyclin B1 for cell cycle regulation. Moreover, HN1 overexpression leads to early mitotic exit as well. Other molecular functions and interactions of HN1 are not clear yet. Here, based on our previous analysis where HN1 was shown to cluster supernumerary centrosomes and maintain mitotic spindle assembly, we further investigated the role of HN1 in centrosome maintenance and mitotic fidelity in PC‐3 prostate and MDA‐MB231 mammary cancer cell lines. The maturation‐associated roles of HN1 during cell division by examining the AuroraA‐PLK1 axis involving a plus end kinesin, Eg5 as well as pericentriolar matrix protein (PCM1) as components of centrosomes were established. We found that HN1 co‐localized to centrioles with Eg5 and Aurora A to suppress aberrant spindle formation to ensure the fidelity of centriole/centrosome duplication when overexpressed. Consistently, depleting the HN1 expression using siRNA or shRNA resulted in an increased number of dysregulated mitotic spindle structures, where Aurora A as well as PLK1 co‐localizations with Eg5 and PCM1 were disrupted. Further, the PLK1 and Aurora A kinase's phosphorylations also decreased, confirming the hypothesis that the cells struggle in mitotic progression, display nuclear and cytokinetic abnormalities with supernumerary but immature mononucleated centrosomes. In summary, we described the role of HN1 in centrosome nucleation/maturation in PLK1‐Eg5 axis and concomitant mitotic spindle formation in human cells.
Invariance of Mitochondria and Synapses in the Primary Visual Cortex of Mammals Provides Insight Into Energetics and Function
Authors: Karl Molly T. , Kim Young Do , Rajendran Kavita , Manger Paul R. , Sherwood Chet C. 
Published: September 2024

ABSTRACTThe cerebral cortex accounts for substantial energy expenditure, primarily driven by the metabolic demands of synaptic signaling. Mitochondria, the organelles responsible for generating cellular energy, play a crucial role in this process. We investigated ultrastructural characteristics of the primary visual cortex in 18 phylogenetically diverse mammals, spanning a broad range of brain sizes from mouse to elephant. Our findings reveal remarkable uniformity in synapse density, postsynaptic density (PSD) length, and mitochondria density, indicating functional and metabolic constraints that maintain these fundamental features. Notably, we observed an average of 1.9 mitochondria per synapse across mammalian species. When considered together with the trend of decreasing neuron density with larger brain size, we find that brain enlargement in mammals is characterized by increasing proportions of synapses and mitochondria per cortical neuron. These results shed light on the adaptive mechanisms and metabolic dynamics that govern cortical ultrastructure across mammals.
Optimized Tungsten Disulfide via Pyrolytic Deposition for Improved Zn‐Ion Batteries
Authors: Wang Yiting , Zhao Xinran , Cao Ruirui , Yang Jun 
Published: September 2024

AbstractThe selection and optimization of cathode materials are crucial for enhancing the performance of aqueous zinc‐ion batteries. In this work, different active materials were created by combining Sulfur powder and polydopamine in four different mass ratios. The novel N‐doped carbon/WS2 is obtained. Thanks to the optimization of the dopamine‐carrying tungsten ion precursor and Sulfur powder (1 : 2, 1 : 4, 1 : 6 and 1 : 8), the four samples exhibited different morphology. The N−C/WS2‐6‐based zinc ion batteries with the highest specific capacity, 120.0 mAh/g in the first discharge at 2.0 A/g, and 78.0 mAh/g after 2500 cycles, with a capacity retention of 65 %, had a relatively good overall performance, according to the results. The reaction kinetics characteristics of the N−C/WS2‐6 cathode reveal that diffusion has a significant impact on the processes in the aqueous zinc ionic material N−C/WS2‐6.
Alkalized MQDs/Bi2S3 Porous Structure for Efficient Photocatalytic CO2 Reduction
Authors: Zhang Shijun , Zhou Jun , You Xinjun , Mathivanan Krishnamurthy , Gou Chunqian , Gong Lei , Li Lingling , Jia Qinwei 
Published: September 2024

AbstractFinding effective and specific catalytic materials for the transformation of carbon dioxide into fuel is indisputably a significant challenge. In this study, 3D porous sphere structure MXene quantum dot/Bi2S3 (MBS) composites were prepared using electrostatic self‐assemblage of protonated Bismuth sulphide nanoparticles (Bi2S3 NSs) with Ti3C2(OH)2 QDs (MQDs‐OH). The optimized MBS material demonstrates an excellent narrow band gap (Eg=1.24 V (vs. NHE)) and high selectivity and efficiency in catalyzing CH3OH, delivering impressive yields of up to 694.7 μmol/g. This study may lead to a new approach to the development of multidimensional photocatalysts for CH3OH production by adsorption of atmospheric CO2.
A Brief Review of Perovskite Quantum Dot Solar Cells: Synthesis, Property and Defect Passivation
Authors: Yang Zifan , Liu Yueli , Chen Wen 
Published: September 2024

AbstractPerovskite quantum dot solar cells (PQDSCs), as the promising candidate for the next generation of solar cell, have garnered the significant attention over the past decades. However, the performance and stability of PQDSCs are highly dependent on the properties of interfaces between the perovskite quantum dots (PQDs) and the other layers in the device. This work provides a brief overview of PQDSCs, including the synthesis of PQDs, the characteristics and preparation methods of PQDs, the photoelectric properties as the light absorption layer and optimization methods for PQDSCs with high efficiency. Future directions and potential applications are also highlighted.
Biomarkers to predict and diagnose pulmonary complications in children post haematopoietic stem cell transplant
Authors: Walker Hannah , Haeusler Gabrielle M , Cole Theresa , Neeland Melanie , Hanna Diane , Shanthikumar Shivanthan 
Published: September 2024

AbstractObjectives. Haematopoietic cell transplant (HCT) is a cellular therapy for a group of high‐risk children with cancer, immunodeficiency and metabolic disorders. Whilst curative for a child's underlying condition, HCT has significant risks associated, including lung injury. These complications are associated with increased post HCT mortality and require improved methods of risk stratification, diagnosis and treatment. Methods. Biomarkers measured in bronchoalveolar fluid and peripheral blood have been identified for both acute and chronic lung injury post HCT.This review evaluates the current research available investigating the use of these biomarkers to improve clinical care, with a focus on the paediatric cohort. Results. Elevated levels of cytokines such as IL‐6, IL‐8, G‐CSF and TNF were identified as potential predictive biomarkers for the development of post HCT lung disease. The pulmonary microbiome was found to have strong potential as a biomarker pre and post HCT for the development of pulmonary complications. General limitations of the studies identified were study design, retrospective or single centre and not exclusively performed in the paediatric population. Conclusion. To translate biomarker discovery into clinical implementation further research is required, utilising larger cohorts of children in prospective trials to validate these biomarkers and determine how they can be translated into better outcomes for children post HCT.
Accurately estimating correlations between demographic parameters: A comment on Deane et al. (2023)
Authors: Riecke Thomas V. , Gibson Dan , Sedinger James S. 
Published: September 2024

AbstractEstimating correlations among demographic parameters is an important method in population ecology. A recent paper by Deane et al. (Ecology and Evolution13:e9847, 2023) attempted to explore the effects of different priors for covariance matrices on inference when using mark‐recovery data. Unfortunately, Deane et al. (2023) made a mistake when parameterizing some of their models. Rather than exploring the effects of different priors, they examined the effects of the use of incorrect equations on inference. In this manuscript, we clearly describe the mistake in Deane et al. (2023). We then demonstrate the use of an alternative and appropriate method and reach different conclusions regarding the effects of priors on inference. Consistent with other recent literature, informative inverse Wishart priors can lead to flawed inference, while vague priors on covariance matrix components have little impact when sample sizes are adequate.