bluuebunny/crossref_metadata_2025_split huggingface dataset:
Highly Selective On‐Surface Dehydrogenative Aromatization of n‐Hexyl to Phenyl Substituents
Authors: Wang Lina , Liu Ye , Xie Miao , Han Yi , Chen Liangliang , Xue Renjie , Li Hailong , Zhang Xisha , Zhang Deqing , Zhong Qigang , Chen Qiang , Zhang Haiming , Müllen Klaus , Chi Lifeng 
Published: November 2024

AbstractDehydrogenative aromatization of alkyl substituents represents a powerful approach to aryl‐substituted functional molecules. However, the inertness of alkyl groups and the need for harsh reaction conditions accompanied by low product selectivity hamper its widespread applications. Here, we demonstrate the highly selective on‐surface thermal aromatization of n‐hexyl substituents on polycyclic aromatic hydrocarbons (PAHs) to their phenyl‐substituted analogues under mild conditions. After depositing two representative precursor molecules, n‐hexyl‐substituted hexaphenylbenzene (HPB‐Hex) and bianthryl octacarboxylic tetraimide (BATI‐Hex), onto a pre‐heated Au(111) substrate, dehydroaromatization of the peripheral n‐hexyl groups into phenyl rings occurs, following the planarization of hexaphenylbenzene and bianthryl core. This process involves sequential intramolecular C−C bond rotations, dehydrogenation, and cyclodehydrogenation reactions, yielding phenyl‐substituted hexabenzocoronene (HBC‐Ph) and bisanthene octacarboxylic tetraimides (BSTI‐Ph). The reaction sequences were monitored using scanning tunneling microscopy (STM) and bond‐resolved non‐contact atomic force microscopy (nc‐AFM), offering structural proof of both intermediates and final products. These experimental techniques were complemented by density functional theory (DFT) simulations, which facilitated the detection of crucial steps in the conversion of n‐hexyl to phenyl groups. Moreover, the effect of alkyl aromatization on the electronic properties of the newly formed aromatic hydrocarbons was elucidated using scanning tunneling spectroscopy (STS).
Side Chain Phenyl Isomerization‐Induced Spatial Conjugation for Achieving Efficient Near‐Infrared II Phototheranostic Agents
Authors: Li Chunbin , Yao Mengfan , Jiang Guoyu , Feng Lina , Wu Yifan , Sha Renmanduhu , Li Yonghai , Tang Ben Zhong , Wang Jianguo 
Published: November 2024

AbstractThe contradiction of near‐infrared II (NIR‐II) emission and photothermal effects limits the development of phototheranostic agents (PTAs) in many emerging cutting‐edge applications. Organic aggregates present a promising opportunity for the balance of competitive relaxation processes through the manipulation of molecular structure and packing. Herein, side chain phenyl isomerization‐induced spatial conjugation was proposed for constructing A‐D‐A type NIR‐II PTAs with simultaneous enhancement of fluorescence brightness and photothermal properties. Three pairs of mutually isomeric fluorophores, whose phenyls respectively located at the outside (o‐series) and inside (i‐series) of the side chain, were designed and synthesized. The positional isomerization of the phenyl endows the o‐series crystals with strong spatial conjugation between the phenyl group on the side chain and the backbone, as well as interlocked planar network, which is different to that observed in the i‐series. Thus, all o‐series nanoparticles (NPs) exhibit red‐shifted absorption, enhanced NIR‐II emission, and superior photothermal properties than their i‐series counterparts. A prominent member of the o‐series, o‐ITNP NPs, demonstrated efficacy in facilitating NIR‐II angiography, tumor localization, and NIR‐II imaging‐guided tumor photothermal therapy. The success of this side chain phenyl isomerization strategy paves the way for precise control of the aggregation behavior and for further development of efficient NIR‐II PTAs.
Achieving a Thermodynamic Self‐Regulation Dynamic Adsorption Mechanism for Ammonia Synthesis through Selective Orbital Coupling
Authors: Dai Tian‐Yi , Shi Hang , Wang Tong‐Hui , Lang Xing‐You , Jiang Qing 
Published: November 2024

AbstractWith the continuous pursuing on the improvement of catalytic activity, a catalyst performed exceeding catalytic volcano plots is desired, while it is impeded by the adsorption‐energy scaling relations of reaction intermediates. Numerous efforts have been focused on optimizing the initial and final intermediates to circumvent the scaling relations for an improved performance. For a step forward, simultaneously optimizing all intermediates is essential to explore the theoretical maximum of catalytic activity. Herein, we proposed a dynamic adsorption mechanism (DAM) to independently regulate the adsorption configurations of all intermediates of electrochemical nitrogen reduction reaction (NRR). To demonstrate the DAM, a multi‐site NbNi3 intermetallic is developed, which enables suitable adsorption energies of different intermediates via modulating orbital coupling mechanisms. As a result, NbNi3 achieves an ultra‐low limiting potential of NRR of −0.11 V vs. reversible hydrogen electrode (RHE). Strikingly, the theoretical result is confirmed by a proof‐of‐concept experiment, wherein the nanoporous NbNi3 electrode exhibits a remarkable NH3 yield rate of 25.89 μg h−1 cm−2 with the Faradaic efficiency of 33.15 % at −0.25 V vs. RHE. Overall, this work brings out a new strategy to avoid the scaling relations, and opens up a promising avenue toward high‐efficiency NRR catalysts.
Roasted sesame oil: A review on production technology, flavor chemistry, and other related issues
Authors: Xu Haoyu , Liu Huamin , Yin Wenting , Xiong Xinjie , Xu Xuebing 
Published: November 2024

AbstractSesame oil (SO) produced through roasting technology offers pleasant flavor, often named roasted sesame oil (RSO) in the market. During the RSO production process, roasting is an essential technology in determining the flavor of RSO, which directly influences the consumer acceptance. Therefore, the present work systematically offers current knowledge on flavors and related issues of RSO, which will focus on production technologies (i.e., roasting technology, extraction technology, subsequent processing technology), flavor characteristics and flavor compounds, formation pathways of major flavor compounds (i.e., Maillard reaction pathway, oil oxidation pathway, thermal degradation pathway), and effects of roasting on the nutrition and safety. In addition, the present work provides an outlook for the future development of RSO industry, including the establishment of a grading system for the evaluation of RSO flavors, high‐value utilization of by‐products from RSO processing, and how to improve production efficiency of RSO. This work could provide a better understanding of RSO roasting process and promising information for better production of aromatic, nutritious and safe RSO by controlling/innovating the roasting process.
Facile fabrication of dasatinib laden multifunctional polymeric micelles: Evaluation of anti‐proliferative and apoptotic activities in human cancer cells
Authors: Menon Soumya V. , Thakore Sanketsinh , Verma Ashish , Dhadda Surbhi , Chinnathambi Arunachalam , Alharbi Sulaiman Ali , Bharathi Muruganantham , Arulselvan Palanisamy , Thangavelu Indumathi 
Published: November 2024

AbstractDasatinib (DAS) has recently gained significant interest for its anticancer potential. Yet, the lipophilicity inherent in DAS limited its potential use as a chemotherapeutic drug. This study aimed to examine the effectiveness of polyethylene glycol‐polycaprolactone (PEG‐PCL) as a nanocarrier for DAS to increase its anticancer capabilities. The DAS‐loaded PEG‐PCL nanoparticles (termed as DAS@PEG‐PCL NPs) were characterized using Fourier transform infrared (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and dynamic light scattering (DLS). Morphological staining and MTT tests were employed to investigate drug‐loaded nanoparticles' apoptotic and anti‐proliferative effects. The MTT assay demonstrated that incorporating DAS onto PEG‐PCL NPs resulted in a dose‐dependent increase in cytotoxicity in A549 (lung cancer) and HeLa (cervical cancer) cells. The A549 cancer cells were analyzed for their morphology using the acridine orange/ethidium bromide (AO/EB) and DAPI staining techniques. Overall, these findings demonstrate that the polymeric PEG‐PCL nanoparticle systems hold great potential as a novel therapeutic strategy for cancer treatment.
Comparison of the ablative performance of silicone rubber‐based composites by analyzing a large number of samples
Authors: Zhang Hao , Zhou Chuxiang , Lu Zhaohui , Tian Yue , Tian Jinfeng , Chi Xiaofeng , Yan Liwei , Gai Jinggang , Zhou Shengtai , Liang Mei , Zou Huawei 
Published: November 2024

AbstractSilicone rubber‐based materials are important thermal protection materials for high‐temperature applications. In this work, a holistic analysis of silicone rubber‐based materials was conducted with an aim to comparatively study the ablative performance of different rubber matrices using the oxyacetylene flame. Six types of silicone rubber‐based composites were prepared in large quantities using a customized device, and the relationship between the ablative properties and influencing factors was elucidated, which was useful in guiding the design and preparation of flexible ablative materials for thermal protection purpose. The expansion and ceramicization of char layer, which was realized by introducing expandable graphite and alumina was found helpful in reducing line ablation rate. The increase in the thickness of char layer and the decrease in surface roughness indicated a successful implementation of the above strategy, which led to a significant decrease in line ablation rate and an increase in thermal insulation performance of the studied system. Moreover, a thermal ablative composite with excellent moldability after ablation process was prepared which showed a promising application as a reusable thermal protection material. This work provided guidelines for developing flexible thermal ablative composites, which can be targeted for practical applications in aerospace and fire protection sectors.
Poly(lactic acid) and copper‐modified montmorillonite nanocomposite films for antimicrobial food packaging
Authors: Bruna Julio E. , Muñoz‐Shugulí Cristina , Espinoza Lisette , Herrera Andrea , Rodríguez‐Mercadoz Francisco J. , Ganga Maria Angelica , Guarda Abel , Galotto Ma. José 
Published: November 2024

AbstractPolymer‐based nanocomposites loaded with metal nanoparticles are an interesting alternative for the development of antimicrobial food packaging. However, affinity and dispersion of metal nanoparticles could be improved using nanoclays. Therefore, nanocomposite films based on poly(lactic acid) (PLA) and copper modified‐montmorillonite were developed by melt‐extrusion technique. Copper‐modified montmorillonite at different valence states (MtCu2+ and MtCu0) were prepared. The nanocomposites were evaluated by means of their structural, optical, thermal and antimicrobial properties. Results showed that both nanoclays were intercalated in PLA but MtCu2+ was better dispersed. Therefore, color change ΔE < 2, higher thermal stability and higher elongation at break was evidenced for MtCu2+/PLA in comparison to pure PLA. Contrary, MtCu0 showed the displacement of Cu0 nanoparticles to the polymer matrix. These free nanoparticles were agglomerated and they leaded on a ΔE > 9 for MtCu0/PLA nanocomposites compared with PLA. Moreover, Cu0 nanoparticles in the matrix accelerated the thermal degradation and decreased the ductility of nanocomposites. On the other hand, both nanocomposites were able to reduce over 2 log10 of Escherichia coli growth and MtCu2+/PLA showed a higher antimicrobial activity against Listeria innocua. These results showed the potential of nanocomposite films based on PLA and copper‐modified montmorillonite for antimicrobial food packaging applications.
The carbonic anhydrase enzymes as new targets for the management of neglected tropical diseases
Authors: Renzi Gioele , Ladu Federico , Carta Fabrizio , Supuran Claudiu T. 
Published: November 2024

AbstractDiseases caused by protozoan parasites represent a huge challenge to global health care, due to the lack of selective and efficient treatments for the management and spreading of such complex pathologies. The protozoans Trypanosoma cruzi (T. cruzi) and Leishmania spp. are the etiological agents of the so‐called neglected tropical diseases (NTDs), that is, Chagas disease (CD) and leishmaniasis, respectively. In such a context, the metalloenzymes carbonic anhydrases (CAs; EC 4.2.1.1) emerged as potential protozoan druggable enzymes, being involved in the parasites’ life cycle. Several studies suggested the relevance of the protozoan‐expressed CAs as future candidates for the management of NTDs.
Cuproptosis: A Copper‐Mediated Programmed Cell Death
Authors: Meena Radhika , Sahoo Suman Sekhar , Sunil Andria , Manna Debasish 
Published: November 2024

AbstractIt has been found that various heavy metals can initiate different types of regulated cell deaths. Among these metals, copper, an essential trace micronutrient that plays a major role in a lot of physiological processes, also can initiate cell death. It can act as a constituent of metalloenzymes, and can act as a mediator for signaling pathways to regulate proliferation and metastasis of tumor. It is also an integral part of some metal‐based anticancer drugs. Recent studies have revealed that excessive intracellular copper accumulation leads to the aggregation of mitochondrial lipoylated proteins, causing proteotoxic stress and ultimately resulting in cell death. This newly discovered copper‐induced cell death is termed as cuproptosis. In the last few years, a lot of research has been done to understand the mechanism of copper‐mediated cell death, and attempts have also been made to identify the relationship between cuproptosis and the development of cancer. In this review, we have provided a comprehensive overview on the significance of copper, its regulation inside the body, the possible mechanism of cuproptosis, and how this cuproptosis can be employed as a therapeutic tool for cancer ablation.
Development of Cyclometalated Iridium(III) Complexes of 2‐Phenylbenzimidazole and Bipyridine Ligands for Selective Elimination of Gram‐Positive Bacteria
Authors: Gautam Aryan , Gupta Ajay , Prasad Puja , Sasmal Pijus K. 
Published: November 2024

AbstractHerein, we have reported a series of cationic aggregation‐induced emission (AIE) active iridium(III) complexes (Ir1‐Ir5) of the type [Ir(C N)2(N N)]Cl, wherein C N is a cyclometalating 2‐phenylbenzimidazole ligand with varying alkyl chain lengths and N N is a 2,2’‐bipyridine ligand attached to bis‐polyethylene glycol chains, for the treatment of bacterial infections. The AIE phenomenon of the complexes leveraged for detecting bacteria by fluorescence microscopy imaging that displayed a strong red emission in Gram‐positive bacteria. The antibacterial activity of the complexes assessed against Gram‐positive methicillin‐sensitive S. aureus, methicillin‐resistant S. aureus, E. faecium and E. faecalis and Gram‐negative E. coli and P. aeruginosa bacteria of clinical interest. The complexes Ir2‐Ir4 exerted potent antibacterial activity towards Gram‐positive strains with low minimum inhibitory concentrations (MICs) values in the range of 1–9 μM, which is comparable to clinically approved antibiotic vancomycin. In contrast, these complexes were found to be inactive towards Gram‐negative bacterial strains (MICs >100 μM). The mechanism of antibacterial activity of the complexes implies that ROS generation, membrane depolarization and rupture are responsible for bacterial cell death. Further, the complexes Ir1‐Ir3 were found to be low‐toxic against human red blood cells and human embryonic kidney (HEK293) cells, indicating their potential for use as antibacterial agents.
FeCoNi‐Based Alloy Coatings as Low Overpotential Electrocatalysts for Alkaline Water Electrolysis
Authors: Zhong Jinyuan , Zhang Yuanwu , Huo Xiaoran , Zuo Xiaojiao , Huang Hongjun , Xu Xuelu , Zhang Nannan 
Published: November 2024

AbstractDeveloping efficient, stable and low‐cost electrocatalysts is a viable approach to solve the current energy crisis. It is found that increasing the surface area of the electrodes can effectively promote the electrocatalytic efficiency. Herein, the atmospheric plasma spraying (APS) technology was used to prepare FeCoNi‐Ni3C alloy coating by adding Ni3C powder to FeCoNi powder with an equal molar ratio. After mechanical mixing, the atomic ratios of Ni3C in the powder are 25 %, 50 %, and 75 %, respectively. The results prove that the pores on the surface of the coating have increased after Ni3C doping, which can provide more active sites in the electrocatalytic process to promote the electrocatalytic reaction. By controlling the proportion of Ni3C, the porosity of the coating surface can be effectively regulated. The results suggested that in 1.0 M KOH electrolyte and 10 mA cm−2, the FeCoNi coating shows an overpotential of 191 and 277 mV for HER and OER, respectively, the HER overpotential of 50 at % Ni3C FeCoNi‐Ni3C coating is 105 mV, and the OER overpotential is 212 mV. It is worth noting that the 50 at % Ni3C FeCoNi–Ni3C coating has a low Tafel slope of 45.78 mV dec−1 (HER) and 44 mV dec−1 (OER). Meanwhile, the attenuation of the overpotential of the 50 at % Ni3C FeCoNi–Ni3C coating after the stability test is almost negligible, indicating that the prepared catalyst has excellent electrocatalytic stability. Furthermore, the 50 at.% Ni3C FeCoNi‐Ni3C coating catalyst has a low potential of 1.664 V at 10 mA cm−2 in a water‐splitting system. This work provids a new idea for designing inexpensive electrocatalysts.
Scales of Stability and Turbulence in the Molecular ISM
Authors: Keto Eric 
Published: November 2024

ABSTRACTWe reanalyze the data of the BU‐FCRAO Galactic Ring Survey (GRS) to understand the dynamics of the turbulent molecular interstellar medium. We define molecular clouds by their spatial half‐power contours of 13CO‐integrated intensity, independent of a boundary based on thresholding or tiling. We find properties of hydrostatic equilibrium (HE) and virial equilibrium (VE), the former independent and the latter dependent on time and spatial scales. We suggest that HE is a stationary property of the turbulence and that molecular clouds are high‐density regions of a fluctuating component. The gravitational and turbulent kinetic energies within clouds are continuously evolving toward a time‐dependent VE with the fluctuating, external, turbulent pressure energy (PE) that can be treated parametrically owing to the shorter time scale for virialization. The average PE is comparable to the pressure of the multiphase ISM at the Galactic mid‐plane. Larson's scaling relations analyzed by different statistical methods are not significant. The nondimensional variances of size, line width, and column density are of comparable magnitude, ruling out the inference of constant column density. Previously unrecognized autocorrelations may have contributed to the apparent validity of the inference.
Wnt signalosomes: What we know that we do not know
Authors: Hartmann Heather , Siddiqui Ghalia Saad , Bryant Jamal , Robbins David J. , Weiss Vivian L. , Ahmed Yashi , Lee Ethan 
Published: November 2024

AbstractSignaling through the Wnt/β‐catenin pathway is relayed through three multiprotein complexes: (1) the membrane‐associated signalosome, which includes the activated Wnt receptors, (2) the cytoplasmic destruction complex that regulates turnover of the transcriptional coactivator β‐catenin, and (3) the nuclear enhanceosome that mediates pathway‐specific transcription. Recent discoveries have revealed that Wnt receptor activities are tightly regulated to maintain proper tissue homeostasis and that aberrant receptor upregulation enhances Wnt signaling to drive tumorigenesis, highlighting the importance of signalosome control. These studies have focused on the detailed process by which Wnt ligands engage their coreceptors, LRP5/6 and Frizzled. However, the components that constitute the signalosome and the regulation of their assembly remain undefined. In this review, we discuss Wnt/β‐catenin signalosome composition and the mechanisms that regulate signalosome assembly, including the role of biomolecular condensates and ubiquitylation. We also summarize the evidence for the presence of Wnt ligand‐independent signalosome formation.
Policy‐driven integrated reporting and integrated thinking: A cross‐country analysis
Authors: Zhao Xinyu , Omran Mohamed 
Published: November 2024

AbstractDrawing upon the institutional approach of legitimacy theory and Hofstede's cultural model, this study (a) examines the improvement of integrated thinking (IT) after applying integrated reporting (IR) policies, (b) compares the policy effects in policy‐driven adoption and voluntary adoption and (c) explores the cross‐country differences from the perspective of culture and policy convergence. We collect data from countries with corporate governance codes encouraging IR (i.e., Australia, Japan and Malaysia). We first use a difference‐in‐differences (DID) design to compare policy‐driven adoption with voluntary adoption in each country. Then, we use the treatment‐effect model to examine the influence of culture and policy convergence. The DID results indicate an increase in IT after applying IR policies, but the effect of IR policies on promoting IT is limited in policy‐driven adoption. The treatment effect model results show that power distance and uncertainty avoidance will promote IR adoption, and long‐term orientation and detailed guidance can mitigate the worse performance in policy‐driven adoption. Our suggestions may help countries adjust their IR policy to improve policy effectiveness based on different cultural settings. Furthermore, our study provides quantitative evidence of the relationship between policy‐driven IR and IT and innovative insights into the cross‐country analysis for further IR research.
Eco‐innovation for circular economy and sustainability performance: Insights and evidence from manufacturing firms
Authors: Mora‐Contreras Rafael , Carrillo‐Hermosilla Javier , Hernández‐Salazar Giovanni , Torres‐Guevara Luz Elba , Mejia‐Villa Andrés , Ormazabal Marta 
Published: November 2024

AbstractDespite progress in the literature in understanding the relationships between barriers, drivers, and features of eco‐innovations (EIs) to promote the circular economy (CE) and improve companies' sustainability results, the evidence remains limited and diffuse. To address this gap, we investigate the effect of barriers, sources of information, and features of innovations and EIs on manufacturing companies' CE and sustainability performance. This longitudinal study used official Colombian government data from 3144 manufacturing companies (2015–2020), considering partial least squares structural equation modeling. Our results reveal that developing or adopting (eco‐) innovations with incremental features could cause a blockage in implementing high‐level CE and in improving their overall sustainability performance. Similarly, radical (eco‐) innovations need more evidence to clarify their impacts on CE and sustainability. Finally, we show that the improvement in environmental and CE performance attributed to (eco‐) innovations has a significant and positive impact on the company's economics.