bluuebunny/crossref_metadata_2025_split huggingface dataset:
Designable Electrochemiluminescence Patterning for Renewable and Enhanced Bioimaging
Authors: Gou Xiaodan , Xing Zejing , Zhang Zhichen , Jin Rong , Xu Qin , Sojic Neso , Zhu Jun‐Jie , Ma Cheng 
Published: November 2024

AbstractElectrochemical imaging enables an in‐depth analysis of the interface heterogeneity and reaction kinetics of single entities. However, electrode passivation during electrochemical reactions decreases the active sites and harms the long‐term stability. Here, we introduce a method using laser‐induced photothermal effects to restore the electrochemical activity, which is particularly displayed as enhanced micrometric patterns in electrochemiluminescence (ECL) microscopy. By co‐localization characterization and X‐ray photoelectron spectroscopy (XPS), the mechanism of active site regeneration is validated as the removal of the oxide film for restoring the local surface ECL reactivity under laser irradiation. The surface‐confined and voltage‐dependent features of ECL allows for easy pattern erasure and rewriting, and it shows good reversibility and anti‐counterfeiting potential. This approach overcomes the passivation processes, evidently improves the image quality of single biological entities including Shewanella bacteria and cells, and makes the subtle contour structures more distinct. The renewable electrode interface also enhances the ECL signal of model bead‐based bioassays. This approach not only showcases precise control in fabricating micron patterns but also holds promise for enhancing the sensitivity in electrochemical immunoassays and bioimaging.
Reply to Correspondence on “Unlocking the Chain‐Walking Process in Gold Catalysis”
Authors: Bhoyare Vivek W. , Sosa Carrizo E. Daiann , Gandon Vincent , Patil Nitin T. 
Published: November 2024

AbstractWe recently reported the gold‐catalyzed Heck and chain‐walking reactions, which utilize migratory insertion, β‐hydride elimination steps in a catalytic fashion. Budzelaar et al. in their correspondence state that these reactions proceed through gold‐catalyzed alkene heteroarylation followed by acid‐mediated elimination and cyclization sequence. In response to this correspondence, we have conducted some experiments which convinced us that the product formation solely can not be rationalized based on hetero‐arylation of alkenes under ligand‐enabled Au(I)/Au(III) catalysis.
Deep‐red Emitting Copper(I) Indenediyltrisphosphine Complexes with Minimized Skeletal Vibrations and Configurational Disorder
Authors: Fukuma Shota , Fu Jiarui , Nakamuro Takayuki , Shang Rui , Nakamura Eiichi 
Published: November 2024

AbstractThe full width at half maximum (FWHM) of emission spectra, which plays an important role in determining color purity, may not always receive sufficient attention in the design of emissive materials. Particularly for the red emitter, the traditional focus has been on emission maxima, yet broad FWHM values can significantly change the perceived color. For example, the red color (λem=616–677 nm) emitted from reported Cu(I) complexes is perceived as orange to yellow if FWHM is large. To reduce FWHM, we incorporated a strained and rigid metalaphosphadicyclopenta[a,f]pentalene motif into Cu(I) complexes using trisphosphine ligands featuring a 1H‐indene‐2,3‐diyl backbone (ITP). Herein, we present the synthesis, structure, and emission properties of ITP‐MX and the congeners, showcasing genuinely deep‐red emission with narrow FWHM values of 56 nm. These materials exhibit color coordinates close to pure red on the CIE diagram, unlike reported broader‐emitting counterparts. Measurement of the entropy of disorder of the emissive crystal by a recently reported statistical mechanical method revealed a quantitative correlation between FWHM and the increase in the number of microstates (the degree of freedom) of the crystals and suggested that mechanical stress can increase the entropy of the crystal, which results in emission broadening.
Ring Expansion toward Fused Diazabicyclo[3.1.1]heptanes through Lewis Acid Catalyzed Highly Selective C−C/C−N Bond Cross‐Exchange Reaction between Bicyclobutanes and Diaziridines
Authors: He Heng‐Xian , Wu Feng , Zhang Xu , Feng Jian‐Jun 
Published: November 2024

AbstractThe synthesis of bicyclic scaffolds has garnered considerable interest in drug discovery because of their ability to mimic benzene bioisosteres. Herein, we introduce a new approach that utilizes a Lewis acid (Sc(OTf)3)‐catalyzed σ‐bond cross‐exchange reaction between the C−C bond of bicyclobutanes and the C−N bond of diaziridines to produce multifunctionalized and medicinally interesting azabicyclo[3.1.1]heptane derivatives. The reaction proceeds well with different bicyclobutanes and a broad range of aryl‐ as well as alkenyl‐, but also alkyl‐substituted diaziridines (up to 98 % yield). Conducting a scale‐up experiment and exploring the synthetic transformations of the cycloadducts emphasized the practical application of the synthesis. Furthermore, a zinc‐based chiral Lewis acid catalytic system was developed for the enantioselective version of this reaction (up to 96 % ee).
NIR‐II Fluorescence/Photoacoustic Dual Ratiometric Probes with Unique Recognition Site for Quantitatively Visualizing H2S2in Vivo
Authors: Hu Bangping , Liu Qinian , Jiang Yulan , Huang Yujie , Ji Huiquan , Zhang Jiqi , Wang Xia , Shen Xing‐Can , Chen Hua 
Published: November 2024

AbstractHydrogen persulfide (H2S2) plays a significant role in redox biology and signal transduction; therefore, quantitative visualization of H2S2 in the deep tissue of living organisms is essential for obtaining reliable information about relevant pathophysiological processes directly. However, currently reported H2S2 probes are unsuitable for this purpose because of their poor selectivity for many polysulfide species or their short wavelength, which hinders precise imaging in deep tissues. Herein, for the first time, we report a unique H2S2‐mediated dithiole formation reaction. Based on this reaction, we construct the first NIR‐II fluorescence (FL) and photoacoustic (PA) dual‐ratiometric probe (NIR‐II‐H2S2) for quantitatively visualizing H2S2 in vivo. This probe shows dual‐ratiometric NIR‐II fluorescence (I840/I1000, 107‐fold) and photoacoustic (PA800/PA900, 6.5‐fold) responses towards Na2S2 species with high specificity, excellent sensitivity (1.8 nM), improved water solubility, and deep‐tissue penetration. More importantly, using NIR‐II dual‐ratiometric FL/PA imaging, we successfully demonstrated that the probe could be used to accurately quantify the fluctuating H2S2 levels in the liver‐injury mouse models induced by lipopolysaccharides or metformin drugs. Overall, this study not only presents a promising tool for H2S2‐related pathological research, but also provides a unique recognition site that may be generalized for designing more useful H2S2 imaging agents in the future.
Using Near‐Infrared Irradiation for Heating Mechanochemical Reactions in Organic‐Dye‐Doped Epoxy Milling Jars
Authors: Tanepau Joao , Bonnaanaa Hafsa , Macé Angèle , Guérin Arthur , Lenormand Philibert , Lamaty Frédéric , Pinaud Julien , Bantreil Xavier 
Published: November 2024

AbstractAlbeit mechanochemistry is a novel promising technology that gives access to reactivity under solvent‐free conditions, heating such reactions is sometimes compulsory to obtain satisfactory results in terms of conversion, selectivity and/or yield. In this work, we developed a novel approach using a dye that absorbs NIR photons and release the energy as heat. Hence, de novo milling jars in epoxy resin doped with the dye were thus produced to obtain reactors that would produce heat upon irradiation at 850 nm. Temperature profiles were recorded, depending on the irradiance, dye charge in the resin, and milling frequency, showing an excellent control of the temperature. The usefulness of the heating jar was then demonstrated in mechanochemical reactions that are known to require heat to yield the desired product, namely Diels–Alder reactions with high activation energies and the newly developed rearrangement of a sydnone into corresponding 1,3,4‐oxadiazolin‐2‐one.
Host‐Guest Assemblies of Polyoxovanadate Clusters as Supramolecular Catalysts
Authors: Kalandia Givi , Liu Cui‐Lian , Salazar Marcano David E. , Moussawi Mhamad Aly , Bleus Sem , Van Meerbeek Bart , Dehaen Wim , Parac‐Vogt Tatjana N. 
Published: November 2024

AbstractSupramolecular functional materials can be used to overcome some of the most challenging tasks in materials science, where the dynamic nature of supramolecular interactions can be leveraged to fine‐tune the properties of the material for a given task. The Lindqvist hexavanadate family of polyoxometalates (POMs) have emerged as particularly interesting candidates to be used in supramolecular materials due to their redox and Lewis acid properties that enable their application in the fields of energy conversion/storage or catalysis. Despite their promising potential, hexavanadate clusters are underrepresented in the field of supramolecular materials, mainly due to the synthetic challenges related to their inherent reactivity. In this work, pillar[5]arene was successfully grafted onto a Lindqvist hexavanadate and the resulting structure was confirmed by single crystal X‐ray diffraction (SC‐XRD), presenting the first example of a crystal structure of a POMcovalently functionalized with a pillar[5]arene. By introducing a ditopic guest molecule that could interlink pillar[5]arene moieties, host–guest interactions were leveraged as the driving force for the formation of supramolecular assemblies incorporating hexavanadate clusters in a controlled manner. The enhanced catalytic performance of the resulting aggregates confirmed their potential application as functional catalytic materials. This novel approach for developing hexavanadate‐based catalysts reported here showcases the potential of using host–guest interactions as a means to introduce catalytically active metal‐oxo clusters into supramolecular frameworks.
High‐performance engineered geopolymer composites: A sustainable approach using recycled brick waste
Authors: Ahmed Junaid K. , Abdulrahman Payam Ismael , Atmaca Nihat , Khoshnaw Ganjeena J. 
Published: November 2024

AbstractThis study examines the viability of using construction waste, specifically recycled brick waste powder (RBWP), as an alternative conventional industrial byproduct (fly ash) in the manufacturing of engineered geopolymer composites (EGC). The EGC mixtures are made with 40 μm diameter and 12 mm length polyvinyl alcohol (PVA) fiber. RBWP replaces class‐F fly ash in EGC by 0, 20%, 40%, 60%, 80%, and 100%. This study produces six distinct EGC mixtures in total. The flexural strength, abrasion resistance, sorptivity, and water absorption of the EGC are investigated. Microstructural characterization is carried out using scanning electron microscopy (SEM). Based on the results, when fly ash is replaced by 40% and 100%, respectively, adding RBWP to the EGC mixes significantly improves flexural strength by 39% and midspan deflection by 169%. Nevertheless, abrasion resistance significantly improves when fly ash is completely replaced with RBWP, even though sorptivity and water absorption increase by about 128% and 240%, respectively. The volume change is reduced by 25.4% when RBWP is used. Furthermore, the SEM study shows that the RBWP undergoes active geopolymerization in the EGC mixes.
Strongly toughened heat‐resistant cyanate ester resin‐based coatings doped by Tb3+‐complex anchored‐uCNTs with green fluorescent properties
Authors: Zhao Dong , Hu Ziyao , Wang Xin , Gong Xuezhong , Wang Yao , Grigoryeva Olga , Danilov Mykhailo , Fainleib Alexander , Strizhak Peter , Tang Jianguo 
Published: November 2024

AbstractThermally stable polymeric coatings are widely used for metal protection at high temperatures, but their brittle weakness makes them unavailable to durable environment. To overcome that, we report properties of cyanate ester resin (CER) coating doped with unzipped carbon nanotubes (uCNTs) loaded with terbium complex (TBP) as nanofiller. The performance of the coating showed that the bending flexibility, adhesion, and impact resistance of the doped coatings was significantly improved. The cylinder bending test showed that the minimal bending diameter of CER doped with TBP‐uCNTs coating reached 6 mm without failure, which represents a significant improvement compared to the pure CER coating (18 mm). Surprisingly, the impact resistance reached the highest value of 50 cm without any failure of the coating. X‐ray diffraction, Fourier transform infrared spectroscopy, Raman, x‐ray photoelectron spectroscopy, scanning electron microscopy, and transmission electron microscopy studies of CNTs, uCNTS, TBP‐uCNTs, and properties of CER indicate that formation of CER/TBP‐uCNTs composite is supported by a chemical reaction between hydroxyl groups of TBP‐uCNTs and the cyanate groups of CER resulting in fabrication of a solid cross‐linked structure. The thermal decomposition temperature of the coating increases from 409°C for pure CER to 453°C for CER/TBP‐uCNTs. The fluorescence spectra show that CER/TBP‐uCNTs exhibits strong luminescence at 550 nm.
Rapid Growth of Ag Nanoparticles on MoS2 Surfaces: An Effective Method to Improve Fire Safety and Mechanical Properties of Ethylene‐Vinyl Acetate Composites
Authors: Qin Huijie , Zhang Tongwei , Bao Lihong , Dang Bo , Li Jianxi 
Published: November 2024

ABSTRACTTwo‐dimensional molybdenum disulfide (MoS2) nanosheets are promising nanofillers for improving the properties of polymers, but low‐cost, facile and green methods need to be further explored to meet the requirements for large‐scale production of modified MoS2 nanosheets. Here, we developed a new idea that is, to prepare MoS2@Ag by modifying the surface of MoS2 using radiative reduction. It is noteworthy that the modified MoS2@Ag can effectively improve the mechanical strength of ethylene‐vinyl acetate (EVA) composites. In addition, the addition of MoS2@Ag was able to substantially improve the flame‐retardant properties of EVA, resulting in a significant reduction in the amount of heat and smoke released from its combustion. When two parts of MoS2@Ag were added, the peak heat release rate and total smoke release of EVA/2.0MoS2@Ag composites were reduced by 29.7% and 39.2%, respectively, compared with that of pure EVA. At the same time, the toxic gases (e.g., CO) produced by the combustion of EVA composites were significantly reduced, which indicates an improvement in their fire safety.
Insights into podophyllotoxin lactone features: New cyclolignans as potential dual tubulin‐topoisomerase II inhibitors
Authors: Hernández Ángela‐Patricia , Rosales‐Fernández Celia , Miranda‐Vera Carolina , Veselinova Anzhela , Jambrina Pablo G. , García‐García Pilar , García Pablo A. , Díez David , Castro María Ángeles , Fuentes Manuel 
Published: November 2024

AbstractChemomodulation of natural cyclolignans as podophyllotoxin has been a successful approach to obtain semisynthetic bioactive derivates. One example of this approach is the FDA‐approved drug etoposide for solid and hematological tumors. It differs from the antimitotic activity of the natural product in its mechanism of action, this drug being a topoisomerase II inhibitor instead of a tubulin antimitotic. Within the molecular requirements for the activity of these compounds, the trans‐γ‐lactone moiety presented in the parent compound has always been a feature to be explored to chemomodulate its bioactivity. In this study, we have obtained different compounds that comply with the molecular characteristics for antitubulin and antitopoisomerase II activity combined in a single molecule. Furthermore, we explored the influence of the trans‐lactone moiety on the final activity, finding that the cis‐lactone was also interesting in terms of bioactivity. The best values of cytotoxicity and cell cycle inhibition were obtained for a compound lacking the lactone ring, thus mimicking the podophyllic aldehyde functionalization, a selective antimitotic podophyllotoxin derivate. The analogs with cis‐lactone also presented interesting cytotoxic activity. The present study illustrates the potential of the chemomodulation of natural products such as natural cyclolignan podophyllotoxin derivates for the discovery of new antitumor agents.
Halogen‐based quinazolin‐4(3H)‐one derivatives as MCF‐7 breast cancer inhibitors: Current developments and structure–activity relationship
Authors: Upadhyay Rachana , Tandel Pooja , Patel Amit B. 
Published: November 2024

AbstractCurrently, cancer is a serious health challenge with predominance beyond restrictions. Breast cancer remains one of the major contributors to cancer‐related morbidity and mortality in women. Chemotherapy continues to be crucial in the treatment of all variants of cancer. Several antitumor drugs are presently in different phases of clinical trials, whereas many more have been approved for clinical use. However, these drugs have the potential to cause adverse effects, and certain individuals may become resistant to them, which would eventually reduce the drug's efficacy. Therefore, it is essential to discover, develop, and improve newer anticancer drug molecules that could potentially inhibit proliferative pathways. In recent years, quinazolinone derivatives, more specifically halogen‐substituted 4(3H)‐quinazolinone, have drawn attention as a promising new class of chemotherapeutic agents. In addition, these molecules showed significant inhibition in micromolar ranges when tested in vitro against the MCF‐7 cell line. Therefore, this study aims to emphasize the intriguing versatility of halogen atoms, providing an in‐depth summary and highlighting recent developments in the anticancer properties of halogenated 4(3H)‐quinazolinones. It also features a detailed discussion of the structure–activity relationship (SAR) of various functional groups and their interaction with amino acid residues utilizing molecular docking studies. The intent is to foster novel discoveries that can inspire innovative investigations in this domain. Hence, this study simplifies the drug design and development strategies by prolonging the array of pharmacologically active candidates.
Self‐Generated Ions Modify the Pair Interaction and the Phase Separation of Chemically Active Colloids
Authors: Peng Yixin , Yasir Khan Mohd , Gao Yongxiang , Wang Wei 
Published: November 2024

AbstractChemically active colloids that release/consume ions are an important class of active matter, and exhibit interesting collective behaviors such as phase separation, swarming, and waves. Key to these behaviors is the pair‐wise interactions mediated by the concentration gradient of self‐generated ions. This interaction is often simplified as a pair‐wise force decaying at 1/r2, where r is the interparticle distance. Here, we show that this simplification fails for isotropic and immotile active colloids with net ion production, such as Ag colloids in H2O2. Specifically, the production of ions on the surface of the Ag colloids increases the local ion concentration, c, and attenuates the pair‐wise interaction force that scales with ∇c/c. As a result, the attractive force between an Ag colloid and its neighbor (active or passive) decays at 1/r or 1/r2 for small or large r, respectively. In a population, the attraction of a colloid by a growing cluster also scales with ∇c/c, so that medium‐sized clusters grow fastest, and that the cluster coarsening slows with time. These results, supported by finite element and Brownian dynamic simulations, highlight the important role of self‐generated ions in shaping the collective behavior of chemically active colloids.
Molecular Engineering and Microstructure Modulation of High‐Performance Organic Batteries
Authors: Qi Mengpei , Sun Qiqi , Wang Yonglin , Lai Qi , Wang Li , Chen Zixuan , Zhu Yunhai , Zhang Aiqing , Yang Yingkui 
Published: November 2024

AbstractOrganic electrode materials (OEMs) featuring high abundance, structural designability, and eco‐friendliness, are considered promising candidates for rechargeable metal‐ion batteries. Nevertheless, the realization of efficient metal‐ion batteries based on OEMs is plagued by the poor intrinsic electronic conductivity and low insolubility of OEMs in common organic electrolytes. Herein, we present a systematic discussion of advancements in the design of OEMs from the perspective of molecular engineering and microstructure modulation, aiming at tuning the electrochemical, physical, and chemical properties of OEMs. Additionally, we elucidate the reaction mechanism of regulation strategies and provide new design directions for OEMs. This review offers essential concepts and perspectives on the development of advanced OEMs for rechargeable batteries.
Social Identity Mapping With Justice‐Involved Young People: Exploring Identity Pathways to Aid the Desistance of Criminal Offending
Authors: Fox Abby , Fox Ririwai , Linton Christopher J. , Cruwys Tegan , Hunter John A. , Fehoko Edmond S. , Jones Susana , Arahanga‐Doyle Hitaua , Winter Taylor , Treharne Gareth J. , Scarf Damian 
Published: November 2024

ABSTRACTSocial groups and the environments they create play a prominent role in the desistance versus persistence of young peoples' criminal offending. Social Identity Mapping (SIM) provides a quantitative method for understanding the social network of young offenders. This exploratory study was guided by two broad research questions: (1) using the SIM task, we wanted to investigate the experiences of young people moving through the Youth Justice System in Aotearoa New Zealand, and (2) through the use of the SIM task combined with qualitative interviews, we wanted to gain novel insight into the influences that important social groups had on young people's behaviour. The participants were nine young people currently working their way through the Youth Justice System in Aotearoa New Zealand. The average number of groups identified in the SIM task was four (range: 3–6), with the most common groups identified being friends, family, and Gisborne (i.e., the town in which participants all lived). Through the semi‐structured interviews, participants noted that they were excluded from some groups (e.g., school) due to their delinquent behaviour. In addition, despite strong motivation to join the workforce and develop a career, participants' social networks and low educational attainment made achieving this goal very challenging. Our findings suggest that desistance efforts would be well served by broadening young offenders' social networks.
Phytochemical Characterization and Antibacterial Activity of Carthamus Caeruleus L. Aqueous Extracts: In Vitro and In Silico Molecular Docking Studies
Authors: Belounis Yousra , Moualek Idir , Sebbane Hillal , Dekir Ali , Bendif Hamdi , Garzoli Stefania , Houali Karim 
Published: November 2024

AbstractIn order to valorize natural resources and the traditional use of medicinal plants in Algeria, this study exploits the antibacterial effect of Carthamus caeruleus L. Since there are few studies on this plant despite its notable therapeutic potential, this work aims to characterize the chemical composition of Carthamus caeruleus L. leaf and root aqueous extracts and to evaluate their antibacterial activity through an in vitro and in silico studies. Spectrophotometric assays and HPLC results revealed 22 components in the roots and 16 in the leaves. Disc diffusion and microdilution methods were used to study the antibacterial properties against nine standard bacterial strains. The results showed that roots exhibited the best activity on most tested strains. Both extracts were also able to inhibit the growth of Staphylococcus aureus ATCC 25923 and Escherichia coli ATSC 25922. Furthermore, no nucleic acid leakage or membrane damage was detected. However, molecular docking of the molecules indicates that some constituents have significant affinity and stability for DNA gyrase. Gallic acid, luteolin, myricetin, and orientin were found to have the highest score. The molecular docking data suggest, for the first time, that the antibacterial activity may be caused by the inhibition of DNA gyrase.