bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sodium Copper Chlorophyllin: A Sustainable Bioinspired Catalyst for the Aerobic Oxidative Synthesis of Nitrogen Heterocycles and the Oxidative Cyanation of Tertiary Amines
Authors: Pawar Shweta A. , Gije Sanket , Kalantre Chinmay , Dalvi V. H. , Vijay Kumar A. 
Published: October 2024

AbstractA remarkably simple and straightforward protocol has been reported showcasing sodium copper chlorophyllin (SCC) as an eco‐friendly, bioinspired catalyst for the aerobic oxidative synthesis of pharmaceutically prevalent nitrogen‐containing heterocycles, such as benzimidazoles and quinoxalines. This reaction was performed in green solvent water, using the green oxidant, molecular oxygen. SCC displayed exceptional efficiency, congruent with the prevailing metal/non‐metal‐based catalyst regime without requiring additives. The SCC catalyst exhibited excellent recyclability upto three cycles for the benzimidazole synthesis reaction. This benign strategy was successfully applied in synthesizing a bioactive quinoxaline i. e., Tyrphostin AG1296, a promising candidate for melanoma treatment. The catalytic activity of SCC was explored for the synthesis of another privileged moiety i. e., α‐aminonitriles, via the α‐cyanation of tertiary amines under oxidative conditions. This reaction progressed with a mild, easy‐to‐use, convenient cyanide source, such as ethyl cyanoformate, and a green and attractive solvent, such as methanol, precluding acidic media. SCC catalyst was efficiently recycled upto three cycles for the α‐aminonitriles synthesis. Overall, the utility of a biodegradable, robust catalyst such as SCC, eco‐friendly solvents such as water and methanol, green oxidants such as O2, and mild reaction conditions, devoid of acidic additives, renders the present work viable for academic and industrial research.
A Highly Selective Fluorescent “Turn on” Probe for Al3+ Based on Pyrazolone
Authors: Zhang Heming , Lu Fengyuan , Kong Qingrong , Che Yuanyuan , Li Xiaojuan 
Published: October 2024

AbstractA highly selective fluorescent “turn on” probe for Al3+ based on the conjugate of aminourea and pyrazolone was devised and synthesized. The fluorescence intensity of the probe solution was significantly enhanced by the addition of Al3+ to the probe solution. Other cations such as Cu2+, Ni2+, Fe3+, Co2+, Ag+, Mn2+, Sn2+, Sn4+, Mg2+, Li+, Zn2+, Zr4+, Ce3+, Ca2+, and Na+ did not interfere the detection of Al3+. The 1 : 1 complexation between Al3+ and the probe was confirmed by Job's plot curve. In addition, the solution of the complex formed by Al3+ and the probe can be used for the specific detection of Hg2+, appearing as fluorescence quenching.
Application of Polymers as Drug Nanocarriers in the Oral Treatment of Ulcerative Colitis
Authors: Liu Xiaoqing , Huang Lianghui , Wu Enguang , Wei Zongyi , Wang Jin , Chen Zhenhua 
Published: October 2024

AbstractUlcerative colitis (UC) is a chronic non‐specific inflammatory disease of the intestines with a high prevalence. Polymer‐prepared nanoparticles are well‐targeted, highly biocompatible, and have high potential for personalized therapy. Polymer nanoparticles are able to achieve localized therapy through their unique design. First, this review compares the advantages and disadvantages of natural and synthetic polymeric materials as well as describes the application of polymeric nanoparticles in UC therapy. Then, the preparation, characterization methods, and current challenges of common polymer nanoparticles are presented. Next, one‐by‐one examples of polymer nanoparticle‐targeted drug delivery strategies for the treatment of UC are presented. In addition, polymer nanoparticle‐based therapeutic approaches for UC, including anti‐inflammatory therapies, reactive oxygen species scavenging therapies, and intestinal flora modulation therapies, are presented. Finally, future research directions for polymer nanoparticles in UC therapy are discussed and current challenges are identified. The aim of this paper is to provide valuable references and guidance for researchers to design and develop novel UC therapies.
Selective C6‐Nitration of Benzothiazolones with Iron Nitrate
Authors: Chen Li , Li Tianhao , Wang Wanqiang , Liu Yan , Liu Ping 
Published: October 2024

AbstractWe report here a selective C6‐nitration of benzothiazolones in the presence of iron nitrate as nitro source. A series of novel 6‐nitrobenzothiazolin‐2‐one derivatives were prepared with moderate to excellent yields at room temperature. The method shows good regioselectivity, broad substrate scope and excellent compatibility with functional groups. Further transformations were performed for the reduction of nitro groups, amination of carbonyl groups and alkylation of amine at the 3‐position in the product.
Electrospinning of Sodium Alginate/Copper Oxide Nanofibrous Composite Membrane and Its Application of Cationic Dye Adsorption
Authors: Gao Jinghang , Wang Xuejun , Lou Tao 
Published: October 2024

AbstractDye wastewater is becoming one of the most significant sources of water pollution, and its impact on human survival is immeasurable. In this study, we successfully synthesized a nanofiber membrane with environmentally friendly and efficient properties using electrospinning of a mixture of sodium alginate (SA) and copper oxide (CuO) nanoparticles, aimed at effective dye removal. The adsorption performance of the SA/CuO nanofiber membrane was evaluated using the cationic dye methylene blue (MB). The maximum adsorption capacity of the nanofiber membrane was increased significantly with the addition of CuO nanoparticles, reaching a maximum value of 1633.4 mg g−1, almost twice as much as that of pure SA membrane. The adsorption kinetics follows the pseudo‐second‐order model, where chemisorption acts as the rate‐limiting step. The adsorption isotherm data indicate that the adsorption is monolayer. The nanofibrous membranes showed better dye removal under an alkaline environment. After four cycles of adsorption/desorption, the MB removal efficiency remained at 70.1% of the original adsorption capacity. The addition of CuO nanoparticles facilitated the adsorption of MB dyes, while the form of the nanofibrous membrane is easily recoverable and reusable. Therefore, the as‐prepared SA/CuO nanofibrous composite membrane is a potentially favorable adsorbent material for wastewater treatment applications.
Integration of Consensus‐Based Pharmacophore Mapping and Molecular Docking in Sequential Virtual Screening: Toward the Discovery of Novel PI3Kγ Inhibitors
Authors: Yu Xiaolian , Yuan Shiru , Jia Lei , Cai Yanfei , Chen Yun , Jin Jian , Xu Lei , Yu Li , Zhu Jingyu 
Published: October 2024

AbstractNumerous research studies have demonstrated the significant correlation of phosphatidylinositol‐3 kinase gamma (PI3Kγ) with the onset and progression of various human diseases, highlighting PI3Kγ as a promising therapeutic target. However, PI3Kγ demonstrates considerable similarity with other isoforms in the PI3K family, presenting significant challenges in the creation of PI3Kγ inhibitors. This study presents an ensemble‐based virtual screening approach to discover novel inhibitors targeting PI3Kγ. Eganelisib (IPI‐549) is the sole selective PI3Kγ inhibitor that has progressed to clinical trials, making it a significant model for the advancement of novel PI3Kγ inhibitors. Initially, common feature pharmacophore and receptor–ligand pharmacophore models were independently developed using IPI‐549 and its potent derivatives, in conjunction with the crystal complex of PI3Kγ/IPI‐549. Both qualitative pharmacophore models proved highly effective at distinguishing between active and inactive compounds. Then, four widely utilized docking programs were chosen for assessment, where the Glide_SP mode demonstrated superior predictive accuracy in sampling ligand conformations during binding, effectively distinguishing between PI3Kγ inhibitors and noninhibitors. Finally, a virtual screening protocol was conducted to screen the ChEMBL database, utilizing similarity search, consensus‐based pharmacophore mapping, and sequential molecular docking. This process resulted in the identification of multiple molecules exhibiting notable promise as potent PI3Kγ inhibitors.
Heterogeneous Catalysis in the Synthesis of Nitrogen‐Containing Heterocyclics
Authors: Rajendran Arsha , Anand Samika , Sunajadevi Kalathiparambil Rajendra Pai , Pinheiro Dephan , Chundattu Sony J. 
Published: October 2024

AbstractThe synthesis of nitrogen‐containing heterocyclic compounds using heterogeneous catalysis is a topic of significant interest in organic synthesis and chemical research. Heterogeneous catalysis offers several advantages over homogeneous catalysis, including easier separation and recovery of the catalyst, reduced waste generation, and potentially higher stability and reusability. In this review, the pivotal role of heterogeneous catalysis in synthesizing nitrogen‐containing heterocyclic compounds is explored. Various types of heterocycles and the specific applications of these compounds in drug discovery and material development are discussed in detail. This review discusses various examples of heterogeneous catalysts employed in the synthesis of nitrogen‐containing heterocycles, including metal oxides, supported metals, metal nanoparticles, zeolites, and other porous materials. Emphasis is placed on the mechanistic insights and reaction pathways facilitated by different catalysts. Additionally, recent advancements and innovations in the field are discussed, including novel catalyst designs, green chemistry approaches, and emerging trends in catalytic materials. The aim is to provide a comprehensive overview of the impact and potential of heterogeneous catalysis in this important area of organic synthesis.
Antiproliferative Effects of Ajuga orientalis Methanolic Extract: In Vitro and In Silico Insights
Authors: Althaher Arwa R. , Saqallah Fadi G. , Qawass Hala 
Published: October 2024

AbstractAjuga orientalis, a perennial herb from the Lamiaceae family, is traditionally used in Jordanian folk medicine for its therapeutic properties. This study evaluates the phytochemical profile, cytotoxicity, drug‐likeness, and molecular docking of the methanolic extract of A. orientalis to explore its potential as a source of novel therapeutic agents. GC‐MS analysis identified 21 compounds, including oleic acid methyl ester (27.1%) and palmitic acid (12.5%). The extract demonstrated significant concentration‐dependent cytotoxicity against RAW264.7 macrophage cells, with an IC50 of 91.5 µg/mL. Molecular docking studies revealed fundamental interactions of phytochemicals with cancer‐related proteins, including VEGFR2 and TLR4/MD‐2, showing strong binding affinities. Notably, 1,7‐di(2,5‐dimethylphenyl)‐2,2,4,4,6,6‐hexamethyl‐1,3,5,7‐tetraoxa‐2,4,6‐trisilaheptane and the 2TBDMS derivative of 4‐hydroxybenzeneacetic acid exhibited promising interactions, indicating potential for inhibiting angiogenesis and modulating immune responses. Drug‐likeness evaluation of 18 compounds showed that 11 meet the criteria for oral bioavailability, though some challenges for drug development remain. This research underscores the therapeutic potential of A. orientalis compounds in cancer treatment and immune modulation, suggesting further experimental validation and development of these bioactive compounds.
Dibenzo‐peri‐Heptacene: A Stable Open‐Shell Graphene Fragment With a Balanced Combination of Armchair and Zigzag Edge Structures
Authors: Jiang Qing , Han Yi , Wu Shaofei , Xu Tingting , Chi Chunyan 
Published: October 2024

AbstractAtomically precise open‐shell graphene fragments, such as extended peri‐acenes, hold significant interest for electronics and spintronics. However, their inherent high reactivity poses challenges for synthesis and application. In this study, a novel approach is introduced: the fusion of a zigzag‐edged peri‐tetracene with an all‐armchair‐edged hexa‐peri‐hexabenzocoronene (HBC) via two shared benzene rings to produce a stable open‐shell hydrocarbon, named dibenzo‐peri‐heptacene (DBPH). The DBPH derivative 1 exhibits considerably enhanced stability, with a half‐life (t1/2) of 46 days in toluene solution under ambient conditions. This improved stability is attributed to peri‐benzannulation, enhanced aromatic stabilization, and kinetic protection of the reactive sites along the zigzag edges. The structure of 1 is unequivocally verified through single‐crystal X‐ray diffraction analysis. With a balanced combination of armchair and zigzag edge structures, derivative 1 displays a diradical character of 39.2% and a singlet‐triplet gap of ≈−3.16 kcal mol−1. It features a narrow electrochemical energy gap (0.87 eV) and exhibits amphoteric redox behavior. Notably, its dication and dianion states manifest a closed‐shell singlet ground state, representing doubly charged structures where a HBC unit is fused with a benzo[f]tetraphene moiety. This research paves the way for synthesizing novel open‐shell graphene fragments with adjustable electronic properties and exceptional stability.
Memristive Artificial Synapses Based on Brownmillerite for Endurable Weight Modulation
Authors: Lee Yoon Jung , Choi Eun Seok , Baek Ji Hyun , Yang Jiwoong , Kim Jaehyun , Kim Jae Young , Kim Byungsoo , Shin Donghoon , Park Sung Hyuk , Im In Hyuk , Lee Hyeonji , Kim Youngmin , Choi Deokjae , Lee Sanghan , Jang Ho Won 
Published: October 2024

AbstractExploring a computing paradigm that blends memory and computation functions is essential for artificial synapses. While memristors for artificial synapses are widely studied due to their energy‐efficient structures, random filament conduction in general memristors makes them less preferred for endurability in long‐term synaptic modulation. Herein, the topotactic phase transition (TPT) in brownmillerite‐phased (110)‐SrCoO2.5 (SCO2.5) is harnessed to enhance the reversibility of oxygen ion migration through 1‐D oxygen vacancy channels. By employing a heteroepitaxial structured 2‐terminal configuration of Au/SCO2.5/SrRuO3/SrTiO3, the brownmillerite SCO2.5‐based synapse artificial synapses are exploited. Demonstration of the TPT behavior is corroborated by comparing oxygen migration energy by density‐functional theory calculations and experimental results, and by monitoring the voltage pulse‐induced peak shift in the Raman spectra of SCO2.5. With the voltage pulse‐driven TPT behaviors, it is reliably characterized by linear, symmetric, and endurable long‐term potentiation and depression performances. Notably, the durability of the TPT‐based weight control mechanism is demonstrated by achieving consistent and noise‐free weight updates over 32 000 iterations across 640 cycles. Furthermore, learning performances based on deep neural networks and convolutional neural networks on various image datasets yielded very high recognition accuracy. The work offers valuable insights into designing memristive synapses that enable reliable weight updates in neural networks.
Enhanced Photodetection Performance of InBiSe3/ReS2 Polarization‐Sensitive Heterostructure Photodetectors
Authors: Quan Sufeng , Guo Shuai , Zhao Xiaoyu , Weller Dieter , Wang Xuefeng , Li Li , Fu Shiyou , Liu Ruibin 
Published: October 2024

AbstractIndividual anisotropic two‐dimensional (2D) materials have been widely applied for developing polarization‐sensitive photodetectors, but they often suffer from limitations in photoresponsivity, detection range, etc. To overcome these challenges, van der Waals (vdW) heterostructures created by stacking different 2D materials provide a promising solution to enhance the performance of the photoelectronic device. In this work, a novel polarization‐sensitive photodetector is developed by leveraging a heterojunction formed by InBiSe3 and anisotropic ReS2 nanoflakes. The InBiSe3/ReS2 vdW heterostructure devices exhibit excellent photodetection performance with a high photoresponsivity (R) of 7.68 A W−1 and a specific detectivity (D*) up to 1.26 × 1011 Jones as well as an external quantum efficiency (EQE) of 1790% under 532 nm laser irradiation. Additionally, benefiting from the broadband light absorption of InBiSe3 crystals together with the pronounced anisotropic electronic and optical characteristics of ReS2 flakes, the devices demonstrate a broad spectral response range from 402 to 1006 nm with a distinct polarization sensitivity of 1.24. Moreover, the devices exhibit extraordinary optical communication and high contrast polarimetric imaging capacity. This work demonstrates the enhanced photodetection performance with the InBiSe3/ReS2 vdW heterostructures operating in a photoconductive mode and illustrates promising application of these heterostructures in integrated optoelectronic systems.
High Oxygen Reduction Efficiency and Durability of Nano‐Honeycomb Pt3(NiFeCo) Replenished by High‐Entropy Metallic Glass Support
Authors: Zhang Yanan , Wang Jing , Li Rui , Guo Qi , Zhang Qiqin , He Yi , Li Zhibin , Liu Weihong , Liu Xiongjun , Lu Zhaoping 
Published: October 2024

AbstractDeveloping low‐Pt oxygen reduction reaction (ORR) catalysts with high efficiency and robustness is critical for practical fuel cells. The most advanced ORR catalysts either feature high percentages of Pt (>70 at.%) or exhibit poor durability when reducing Pt loading. Herein, a multicomponent solid‐solution Pt3(FeCoNi) honeycomb nano‐framework supported by the specially designed high‐entropy metallic glass (MG) is reported for efficient ORR. This hybrid catalyst with a low surface Pt loading of 5.79 µg cm−2 displays exceptional mass and specific activities of 7.02 A mgpt−1 and 8.15 mA cmPt−2 at 0.9 V, respectively, which are ≈15 and 22 times higher compared with commercial Pt/C. The analyses reveal the weakened chemisorption of oxygenated species, which is induced by the strong strain and ligand effects originating from the synergistic multicomponent alloying. This in turn enhances the intrinsic ORR activity. Moreover, benefiting from a unique replenishment behavior, the hybrid catalyst delivers ultra‐high durability with negligible activity decay even after 50 000 potential cycles. This mechanism is achieved by sacrificing the interior MG supplementary support to dynamically compensate for the loss of catalytically active surface. The work provides an alternative way to design more efficient and durable low‐Pt electrocatalysts for electrochemical devices.
A Hybrid Alloying Nanozyme‐Glutathione Inhibitor Co‐Delivery System Initiates a Dual‐Disruption on Cancer Redox Homeostasis
Authors: Hou Jue , Bao Hanxiao , Wang Yu , Zhou Qiaomei , Chen Jiayi , Pan Guohua , Xu Guoqiao , Zhang Jinguo , Tang Guping , Bai Hongzhen 
Published: October 2024

AbstractAltered redox homeostasis has long been observed in cancer cells, which can be exploited for therapeutic benefits. However, reactive oxygen species (ROS) pleiotropy coupling with reductive adaptation in cancer cells poses a formidable challenge for redox dyshomeostasis‐based cancer therapy. Herein, a AuPd alloying nanozyme‐glutathione (GSH) biosynthesis inhibitor co‐delivery system (B‐BMES) is developed using dendritic SiO2 as a matrix to target cancer redox homeostasis. By optimizing element composition, the alloying nanozyme in B‐BMES exhibits a potent peroxidase (POD)‐like activity to trigger ROS insults‐mediated redox dyshomeostasis. Such a POD functionality is attributed to the optimized electronic structure and catalytic activity. Simultaneously, the B‐BMES abrogates the reductive adaptation by exerting its molecule‐targeted GSH suppression, thereby achieving a dual‐disruption on cancer redox homeostasis. Camouflaging B‐BMES with tumor‐homologous cytomembrane, a hybrid nanosystem with biological stability and tumor‐targeting ability is further fabricated, which initiates a safe, precise redox disruption‐based cancer therapy and sensibilizes standard chemotherapy.
Zero‐Strain Sodium Nickel Ferrocyanide as Cathode Material for Sodium‐Ion Batteries with Ultra‐Long Lifespan
Authors: Yuan Bingyang , Qiao Shuangyan , Yuan Lingling , Chen Bofeng , Chong Shaokun 
Published: October 2024

AbstractPrussian blue analogues are recognized as one of the most promising cathode materials for sodium‐ion batteries (SIBs) owing to the open 3D framework structure with large interstitial sites and developed Na‐ion diffusion channels. However, high content of anion vacancy and poor structural stability have hampered the prospect of their application. In this work, sodium nickel ferrocyanide (Na1.34Ni[Fe(CN)6]0.92, NNHCF) is proposed as cathode material for SIBs. N‐coordinated Ni‐ion can boost NNHCF to possess less Fe[(CN)6]4− defect, low Na‐ion migration barrier, and more negative formation energy compared with Na0.91Cu[Fe(CN)6]0.77 (NCHCF), thus exhibiting more active sites, fast electrochemical kinetics behavior and great structure stability. It is confirmed that NNHCF undergoes a solid solution mechanism without phase evolution for reversible Na‐ion intercalation/deintercalation, employing Fe associated with C atom as redox center for charge compensation. Therefore, NNHCF contributes a high initial energy density of 180.94 Wh·g−1 at 10 mA·g−1, excellent rate capability, superior cycling stability with ultra‐long lifespan of 13 000 cycles, and low fading rate of 0.0027% per cycle at 500 mA·g−1. This work sheds light on the construction of low‐defect PBA cathodes with outstanding dynamics and stability.
Electrochemiluminescence Reveals the Structure‐Catalytic Activity Relationship of Heteroatom‐Doped Carbon‐Based Materials
Authors: Jin Peng , Ren Guoyuan , Gao Nan , Qing Chenglin , Zeng Hui , Wang Xinyue , Zhang Meining 
Published: October 2024

AbstractHeteroatom doping can change the chemical environment of carbon‐based nanomaterials and improve their catalytic performance. Exploring the structure‐catalytic activity relationship of heteroatom‐doped carbon‐based materials is of great significance for studying catalytic mechanisms and designing highly efficient catalysts, but remains a significant challenge. Recently, reactive oxygen species (ROS)‐triggered electrochemiluminescence (ECL) has shown great potential for unveiling the mechanism by which heteroatom‐doped carbon‐based materials catalyze the oxygen reduction reaction (ORR), owing to the high sensitivity of these materials to the properties of the electrode surface. Herein, two kinds of heteroatom‐doped porous carbon (denoted as NP‐C and N‐C) are synthesized and analyzed by monitoring the cathodic ECL of luminol‐H2O2 in the low negative‐potential region. P, N‐doped NP‐C exhibits better catalytic ability for activating H2O2 to generate large amounts of •OH and O2•−, compared with N‐C. A sensitive antioxidant‐mediated ECL platform is successfully developed for detecting the antioxidant levels in cells, exhibiting considerable potential for evaluating the antioxidant capacity. The relationship between the structure and catalytic mechanism of heteroatom‐doped carbon‐based materials is successfully explored using ECL, where this method can be universally applied to carbon‐based materials.
Gebäudehüllen aus Metall in Erdbebengebieten
Authors: Bittner Lara , Wallner Anna , Lüdecke Marvin , Hoffmeister Benno , Kuhnhenne Markus , Ummenhofer Thomas 
Published: October 2024

AbstractGebäudehüllen in Metallleichtbauweise, wie bspw. Sandwichelemente oder mehrschalige Konstruktionen mit Trapezprofilen, werden häufig im Industrie‐ und Gewerbebau eingesetzt. Diese haben zunächst nur eine raumabschließende Wirkung und werden für Belastungen infolge von Wind‐ und Temperatureinwirkungen bzw. Schneelasten bemessen. Im Rahmen eines IGF/FOSTA‐Forschungsprojekts sollte ermittelt werden, inwiefern die Dach‐ und Wandelemente im Erdbebenfall eine aussteifende Funktion übernehmen. Dazu wurden Dach‐ und Wandelemente und deren Verbindungen an die Unterkonstruktion hinsichtlich ihres zyklischen Verhaltens, des Energiedissipationsvermögens und der Funktionsfähigkeit nach seismischen Ereignissen untersucht. Es wurden Detailversuche an Verbindungen, Großversuche an Schubfeldern und bauphysikalische Untersuchungen durchgeführt.