bluuebunny/crossref_metadata_2025_split huggingface dataset:
Catalytic N‐Formylation of CO2 by Atomically Precise Au8Pd1(DPPF)42+ Clusters into a Two‐Dimensional Metal–Organic Framework
Authors: Cai Xiao , Tian Yiqi , Wang Hao , Huang Shuangshuang , Liu Xu , Li Guangjun , Ding Weiping , Zhu Yan 
Published: September 2024

AbstractBy highly efficient ligand‐exchange strategy, atomically precise Au8Pd1(PPh3)82+ (PPh3=triphenylphosphine) cluster can be transformed into a Au8Pd1(DPPF)42+ (DPPF=1,1′‐bis(diphenylphosphino)ferrocene) cluster that can maintain the atomic‐packing structure but overcome the lability of Au8Pd1(PPh3)82+. Catalytic evaluation for the CO2 hydrogenation coupled with o‐phenylenediamine demonstrates that the Au8Pd1(DPPF)42+ catalyst can remarkably enhance both activity and stability compared to the Au8Pd1(PPh3)82+ catalyst. More notably, the direct construction of a two‐dimensional metal–organic framework (2D MOF) can be elaborately accomplished in the formylation process of o‐phenylenediamine, CO2 and H2 with zinc nitrate enabled by the Au8Pd1(DPPF)42+ catalyst. The 2D MOF further enables the capture and transformation of CO2 to combine in the organic synthesis with epoxides under mild conditions. This work provides opportunities for creating highly active cluster sites for the chemical recycling of CO2.
Hybrid Local and Charge Transfer Emitters Utilizing Hyperconjugation Effect Towards Solution‐Processed Ultra‐Deep‐Blue OLEDs with External Quantum Efficiency Approaching 12 %
Authors: Liao Chuanxin , Wang Shirong , Chen Bo , Xie Qi , Feng Jingyuan , Bai Jiaxu , Li Xianggao , Liu Hongli 
Published: September 2024

AbstractHybrid local and charge transfer (HLCT) excited state materials, which possess weak donor‐acceptor (D–A) pure organic structures, deserve one of the most promising efficient and stable blue emitters. Through high‐lying reverse intersystem crossing (hRISC) process, 75 % triplet excitons generated by electrical excitation could be harvested and utilized in organic light‐emitting diodes (OLEDs). However, there are still significant challenges to achieve high‐efficiency ultra‐deep‐blue HLCT emitters with low Commission Internationale de l'Eclairage (CIE) 1931 chromaticity coordinate y values. Here, a series of novel blue HLCT emitters based on spiro[1,8‐diazafluorene‐9,2′‐imidazole] structure were designed and synthesized by fine‐tuning the spiro[fluorene‐9,2′‐imidazole] core structure in our previous work through heteroatom substitution and hyperconjugation effect. The target emitters were endowed with excellent photophysical and electrochemical merits, thermal stability and solution processibility. The solution‐processed OLED based on 4′,5′‐bis(4‐(9H‐carbazol‐9‐yl)phenyl)spiro[1,8‐diazafluorene‐9,2′‐imidazole] (NFIP‐CZ) achieved efficient ultra‐deep‐blue emission (CIEx,y=0.1581, 0.0422) with the maximum external quantum efficiency (EQEmax), maximum current efficiency (CEmax) and maximum power efficiency (PEmax) of 11.94 %, 4.07 cd ⋅ A−1 and 2.56 lm ⋅ W−1. The record EQE is a breakthrough in both solution‐processed and vacuum vapor deposition ultra‐deep‐blue HLCT OLEDs currently.
Photocatalyzed Aryl C‐H Fluorocarbonylation with CF2Br2
Authors: Zhou Kehan , Xiao Yuheng , Huang Zhibin , Zhao Yingsheng 
Published: September 2024

AbstractThe use of abundant and inexpensive fluorine feedstocks to synthesize fluorinated compounds is a promising strategy that has not been extensively investigated. Dibromodifluoromethane (CF2Br2) is an inexpensive fluorine source that has rarely been used for C−H fluoroalkylation. This study reveals an iridium‐catalyzed, tunable strategy for synthesizing acyl fluorides and difluorobromomethylated products using CF2Br2. To achieve the desired products, this process only requires the change of solvent (from DMSO to 1,4‐dioxane) under blue LED illumination. A variety of arenes and heteroarenes with electron‐donating substituents were successfully used, yielding the corresponding products in moderate to good yields. Mechanistic experiments revealed that DMSO served a dual role, functioning as both solvent and nucleophilic reagent in C−H fluorocarbonylation.
Wavy Graphene Nanoribbons Containing Periodic Eight‐Membered Rings for Light‐Emitting Electrochemical Cells
Authors: Obermann Sebastian , Zhou Xin , Guerrero‐León L. Andrés , Serra Gianluca , Böckmann Steffen , Fu Yubin , Dmitrieva Evgenia , Zhang Jin‐Jiang , Liu Fupin , Popov Alexey A. , Lucotti Andrea , Hansen Michael Ryan , Tommasini Matteo , Li Yungui , Blom Paul W. M. , Ma Ji , Feng Xinliang 
Published: September 2024

AbstractPrecision graphene nanoribbons (GNRs) offer distinctive physicochemical properties that are highly dependent on their geometric topologies, thereby holding great potential for applications in carbon‐based optoelectronics and spintronics. While the edge structure and width control has been a popular strategy for engineering the optoelectronic properties of GNRs, non‐hexagonal‐ring‐containing GNRs remain underexplored due to synthetic challenges, despite offering an equally high potential for tailored properties. Herein, we report the synthesis of a wavy GNR (wGNR) by embedding periodic eight‐membered rings into its carbon skeleton, which is achieved by the A2B2‐type Diels–Alder polymerization between dibenzocyclooctadiyne (6) and dicyclopenta[e,l]pyrene‐5,11‐dione derivative (8), followed by a selective Scholl reaction of the obtained ladder‐type polymer (LTP) precursor. The obtained wGNR, with a length of up to 30 nm, has been thoroughly characterized by solid‐state NMR, FT‐IR, Raman, and UV/Vis spectroscopy with the support of DFT calculations. The non‐planar geometry of wGNR efficiently prevents the inter‐ribbon π–π aggregation, leading to photoluminescence in solution. Consequently, the wGNR can function as an emissive layer for organic light‐emitting electrochemical cells (OLECs), offering a proof‐of‐concept exploration in implementing luminescent GNRs into optoelectronic devices. The fast‐responding OLECs employing wGNR will pave the way for advancements in OLEC technology and other optoelectronic devices.
Comparative study on shape memory, mechanical, and thermomechanical properties of multi‐walled carbon nanotubes and graphene nanoplatelets modified bidirectional (twill) carbon fiber polymer composites
Authors: Gupta Ritesh , Mittal Gaurav , Nhaichaniya Gajendra Kumar , Kumar Krishna , Pandel Upender 
Published: September 2024

AbstractThe research conducts a comparative analysis of epoxy/bi‐directional (twill) carbon fiber three‐phase shape memory hybrid composites modified with MWCNT and GnP, examining their mechanical, thermomechanical, and shape memory properties. Fabrication involves preparing nanoparticle‐modified epoxy nanocomposites through ultrasonication followed by hand layup technique. The findings revealed that the modified composites achieved their optimal performance at a 0.6 wt% concentration of nanoparticle, with the tensile strength and modulus increasing by 33.59% and 23.47% for 0.6 wt% MWCNT composite and by 45.94% and 25.61% for 0.6 wt% GnP composite. GnP‐modified composites outperformed MWCNT ones due to GnP's sheet structure aligning parallel to the load and larger surface area facilitating enhanced interaction with the matrix. Despite polymer modification, the shape recovery ratio values remained high, with 98.92% for unmodified composite, 97.72% for 0.6 wt% MWCNT composites, and 97.12% for 0.6 wt% GnP modified composites, all exceeding 90%, indicating no compromise in performance.
Effect of printed PVDF/GCN composite film thickness on the performance of piezoelectric nanogenerators
Authors: Pawar Omkar Y. , Lim Sooman 
Published: September 2024

AbstractThis study aimed to explore the influence of film thickness on the piezoelectric efficiency of polyvinylidene fluoride/graphitic carbon nitrate nanosheet (GCN) composite films, taking into account the effect of GCN alignment. Our findings demonstrated that the piezoelectric performance of these films was markedly dependent on their thickness. We have observed a direct relationship between film thickness and piezoelectric efficiency, with thicker films showing a greater capability to convert mechanical pressure into electric energy. This increased efficiency is attributed to the enhanced ability to thicker films to distribute stress uniformly across the material, which is crucial for optimizing the piezoelectric effect. Our results advance the understanding of how variation in film thickness impact mechanical properties such as stiffness and flexibility, which subsequently affect the piezoelectric response. Through predictive modeling, we analyzed the mechanical dynamics of film displacement under an electrical potential and clarified how different thickness influenced the mechanical properties and piezoelectric output. This detailed analysis deepens the fundamental understanding of material design for optimal piezoelectric performance and underscores the critical role of film thickness in engineering application.
Synthesis of Fe2O3/ZnFe2O4/g‐C3N4@ZIF‐8 composites: Enhancing thermal stability and flame retardancy in polyurea
Authors: Lin Jiayu , Hou Yongbo , Ding Lailong , Wang Yifan , Hu Jinhu , Qiu Xishun , Wu Chao , Ma Mingliang , Gao Wei 
Published: September 2024

AbstractMetal–organic frameworks (MOFs) have garnered significant attention in recent years due to their potential application in flame‐retardant polymeric materials. In this work, Fe2O3/ZnFe2O4/g‐C3N4@ZIF‐8 flame retardants were synthesized via solvothermal and calcination techniques, and their elemental composition and morphologies were thoroughly characterized. The flame retardancy of polyurea (PUA) composites incorporating varying dosages of these flame retardants was evaluated using cone calorimetry tests (CCT). The findings demonstrate that the incorporation of Fe2O3/ZnFe2O4/g‐C3N4@ZIF‐8 significantly enhanced the flame retardant properties of PUA composites. With the addition of 3 wt% of the flame retardant, the peak heat release rate (PHRR), total heat release (THR), total smoke production (TSP), and total CO yield (TCO) of the PUA composites decreased to 890.82 kW/m2, 131.34 MJ/m2, 12.30 m2, and 2.39 g, respectively, reflecting reductions of 33.59%, 18.59%, 29.40%, and 47.93% compared with pure PUA. The flame‐retardant mechanism was systematically analyzed in both the condensed and gas phases. This study provides a robust experimental foundation and novel insights that contribute to the development of advanced flame‐retardant coating materials.
Novel wastepaper nanocellulose/chitosan‐based nanocomposite membrane for effective removal of the textile dye Congo red from aqueous solution
Authors: Goswami Rekha , Mishra Abhilasha , Mirza Adeeba , Ahmad Waseem , Rana Rinku 
Published: September 2024

AbstractDevelopment of a cost‐effective and environmentally friendly method to treat dye wastewater is of utmost importance. In this experimental study, wastepaper was used as the raw material for the extraction of cellulose nanocrystals to fabricate a nanocomposite membrane with chitosan. During the extraction process, acid hydrolysis (Sulfuric acid) followed by bleaching (hydrogen peroxide) was adopted. To confirm the nano‐range, particle size analysis, and FESEM were performed, which confirmed the presence of particles in the nano‐range ranging from 313.8 to 122.1 nm and FESEM observed results showed transformation of fibrous to rod shaped nanocrystals after acid hydrolysis. After successful nanocomposite fabrication a porous sieved network of membrane was observed and after adsorption successful adhesion of dye molecules over the membrane matrix was also confirmed. FTIR data showed that during adsorption mechanism some of the prominent peaks gets disappeared suggest interaction of dye molecules onto the nanocomposite. The contact angle of 21.0° was observed for the ChNC3 nanocomposite showed super hydrophilic behavior. Tensile strength was also observed in terms of young's modulus, ultimate strength, and elongation at break. The elasticity and stiffness of a material are usually indicated by its young modulus. In AH CNCs and ChNC3, the young modulus was seen to be increasing from 195< 693, respectively. On the other hand, the ultimate strength indicates AH CNCs and ChNC3 and shows a downward trend of 1.56> 0.316, respectively. Furthermore, the potentiality of the nanocomposite membrane was analyzed for Congo red dye in synthetic wastewater prepared in the laboratory. During the batch study, various working parameters were taken such as initial dye solution (20–100 ppm), pH (1–7), contact time (10–60 min), and dosage (0.1–0.5 mg/L). To know about adsorption, Langmuir and Freundlich isotherm were analyzed it was observed that Freundlich isotherm show best fitted modeling with R2 = 0.99, and n = 1.6 showing favorability of the heterogeneous adsorption. To determine the interaction between the adsorbate and adsorbent, pseudo first order and pseudo second order kinetics models were analyzed, and it was observed that chemisorption interaction followed between the adsorbate and adsorbent. Thermodynamic parameters were analyzed, which confirmed the spontaneous and favorable adsorption mechanism. To avoid fouling problems and maintain cost effectiveness, the resulting, nanocomposite membrane was desorbed using an appropriate solvent. After 5 cycles, the desorption rate decreased from 54% to 38%. This developed nanocomposite membrane appears to be effective in effluent waste treatment because of its simple formulation approach.
Cranial anatomy of Acynodon adriaticus and extreme durophagous adaptations in Eusuchia (Reptilia: Crocodylomorpha)
Authors: Muscioni Marco , Chiarenza Alfio Alessandro , Fernandez Diego Bladimir Haro , Dreossi Diego , Bacchia Flavio , Fanti Federico 
Published: September 2024

AbstractAcynodon adriaticus, a small eusuchian from the Late Cretaceous of Italy, is known for its well‐preserved cranial and postcranial material. Despite its excellent preservation, many details remain hidden due to the physical overlap between the elements and matrix obliteration. We used Micro‐CT scans to reveal previously overlooked anatomical features and describe in detail the cranial and dental anatomy of this taxon, shedding new light on its palaeoecology. The holotypic specimen, SC 57248, represents a mature individual exhibiting signs of hyperossification, developed ornamentation, and various pathologies, including jaw arthritis and a possible dental anomaly. Acynodon adriaticus exhibits significant durophagous adaptations, including a robust, brevirostrine skull optimized for powerful biting and stress‐load capacity. Its specialized dentition, lacking caniniform teeth, features anterior chisel‐like teeth and hypertrophic posterior molariforms with thick enamel, indicative of a diet specializing in hard‐shelled prey. The dentition pattern, accelerated molariform replacement rate, and reduced orbit size suggest adaptations for durophagous foraging in turbid, densely vegetated aquatic environments. The paleoecological context during the Late Cretaceous, characterized by increased freshwater habitats and high invertebrate diversity, likely facilitated the evolution of such specialized traits in A. adriaticus. This small crocodylomorph likely foraged slowly in shallow, benthic environments, using its powerful bite to process mollusks and large arthropods. The study of A. adriaticus, along with comparisons with other crocodylomorphs and ecomorphologically similar taxa like Iharkutosuchus makadii and Gnatusuchus pebasensis, provides a valuable morphofunctional model for understanding the evolutionary pathways of extinct crocodylians to durophagy.
New hydrazide derivatives of N‐amino‐11‐azaartemisinin as promising epidermal growth factor receptor inhibitors for therapeutic development in triple‐negative breast cancer
Authors: Karnatak Manvika , Yadav Priyanka , Rathi Komal , Shukla Monika , Dugam Prachi , Suthakaran Shruthi , Rawat Varun , Hassam Mohammad , Pandey Aditi , Maurya Ram Awatar , Sen Debanjan , Debnath Sudhan , Das Amitava , Mukhija Achal , Verma Ved Prakash 
Published: September 2024

AbstractTriple‐negative breast cancer (TNBC) treatments, such as DNA‐damaging agents like carboplatin, pose considerable human toxicity and may contribute to cancer relapse. Artemisinin derivatives offer a less toxic alternative; however, their specific role in TNBC management remains to be established. To address this gap, computational models were employed to design and evaluate artemisinin‐based prototypes as potential TNBC therapeutics, aiming to provide safer and more effective treatment options for this aggressive cancer subtype. Among the series of hydrazide derivatives of azaartemisinin (10a–l) reported herein, compound 10j emerged as the most promising, exhibiting notable cytotoxicity with IC50 values of 1.74 and 1.64 µM against MDA‐MB‐231 and MDA‐MB‐468 cells, respectively. The clinically useful drug doxorubicin provided IC50 values of 0.29 and 0.29 µM against MDA‐MB‐231 and MDA‐MB‐468 cells, while artemisinin provided IC50 values of 107.30 and 116.60 µM, respectively. Furthermore, putative interactions between the synthesized compounds and the epidermal growth factor receptor (EGFR) were identified using molecular docking studies, suggesting a possible mechanism for their anticancer effect. Additionally, to determine the thermodynamic parameters of the interactions between artemisinin, azaartemisinin, and biomolecules, isothermal titration calorimetry experiments were performed. The binding constant value on the order of 104 indicates a comparatively stronger binding affinity of azaartemisinin with human serum albumin (HSA) compared to artemisinin with HSA. These findings support the potential of azaartemisinin derivatives as promising EGFR inhibitors for therapeutic development in TNBC, offering a new avenue for less toxic and more effective cancer treatments.
Obesity and oxidative stress: Implications for female fertility
Authors: Heng Nuo , Zhu Huabin , Talukder Anup Kumar , Zhao Shanjiang 
Published: September 2024

AbstractObesity has reached epidemic proportions in most parts of the world, and it is estimated that 1 billion people globally are trapped in an obesity pandemic, which has seriously compromised human health. Recently, there has been a flood of research into obesity as well as redox and lipid metabolism; however, our understanding of the pathways and specific molecular mechanisms by which obesity‐induced oxidative stress affects female reproductive function remains limited. In this review, we discuss how the obesity pandemic has led to lower female fertility. We focus on multiple facets of obesity‐mediated reproductive dysfunction, including follicular atresia, oocyte maturation, embryo implantation, reproductive aging, and discuss therapeutic interventions that have the potential to normalize reproductive function in obese females, such as targeting mitochondrial lipid metabolism and antioxidant pathways.
Copper‐Catalyzed Trifunctionalization of Heteroaryl‐Substituted 1‐Hexenes via Remote Heteroaryl Migration
Authors: Guo Kang , Sun Yanwen , Sun Yining , Shang Jiayi , Lu Yongchao , Wu Qiong 
Published: September 2024

AbstractA copper‐catalyzed trifunctionalization (trifluoromethylation, heteroarylation, and cyanation) of heteroaryl‐substituted 1‐hexenes via remote heteroaryl migration is reported. A variety of CF3 and heteroaryl‐containing nitriles were readily constructed under mild conditions. The reaction features high chemo‐ and regioselectivities and represents a convenient method for the synthesis of multifunctionalized molecules in organic synthesis.
Ultra‐sensitive electrochemical immunosensor based on 2D vanadium diselenide (VSe2) for efficient detection of pathogens: Salmonella Typhimurium
Authors: Alsharabi Rim M. , Singh Jay , Saxena Preeti S. , Srivastava Anchal 
Published: September 2024

AbstractLayered transition metal dichalcogenides (TMDs), with an extensive surface area, intriguing tunable electrical and optical features, and a distinctive Van der Waals layered structure, yield outstanding sensing properties. Essentially, most TMDs originally existed in the crystallographic phase of a 2H trigonal prismatic structure, which is semiconducting in nature with poor electrocatalytic activity. In contrast, vanadium diselenide (VSe2) with its metastable metallic 1 T octahedral crystal structure has been proven to be an outstanding electrode material, embracing exceptional electrocatalytic behavior for various electrochemical (EC) applications. However, practically, VSe2 has hardly ever been explored in the field of biosensing technology. This study presents a novel EC biosensor based on the antibody of Salmonella Typhimurium (Anti‐ST) immobilized on VSe2‐supported Indium tin oxide (Anti‐ST/VSe2/ITO) for quantitative and efficient Salmonella Typhimurium (ST) detection. The Anti‐ST/VSe2/ITO bioelectrode displayed a linear relationship with ST concentration (1.3 × 10–107 CFU/ml) with a limit of detection (LOD) (0.096 CFU/ml) that is lower than previously reported ST biosensors and impressively high sensitivity (0.001996 μA.mL/CFU). Furthermore, the proposed electrode's electroanalytical activity was evaluated in spiked sugarcane juice, demonstrating distinguished applicability for specific ST detection in real samples.
Experimental characterization and prediction of Escherichia coli host cell proteome retention during preparative chromatography
Authors: Disela Roxana , Neijenhuis Tim , Le Bussy Olivier , Geldhof Geoffroy , Klijn Marieke , Pabst Martin , Ottens Marcel 
Published: September 2024

AbstractPurification of recombinantly produced biopharmaceuticals involves removal of host cell material, such as host cell proteins (HCPs). For lysates of the common expression host Escherichia coli (E. coli) over 1500 unique proteins can be identified. Currently, understanding the behavior of individual HCPs for purification operations, such as preparative chromatography, is limited. Therefore, we aim to elucidate the elution behavior of individual HCPs from E. coli strain BLR(DE3) during chromatography. Understanding this complex mixture and knowing the chromatographic behavior of each individual HCP improves the ability for rational purification process design. Specifically, linear gradient experiments were performed using ion exchange (IEX) and hydrophobic interaction chromatography, coupled with mass spectrometry‐based proteomics to map the retention of individual HCPs. We combined knowledge of protein location, function, and interaction available in literature to identify trends in elution behavior. Additionally, quantitative structure–property relationship models were trained relating the protein 3D structure to elution behavior during IEX. For the complete data set a model with a cross‐validated R2 of 0.55 was constructed, that could be improved to a R2 of 0.70 by considering only monomeric proteins. Ultimately this study is a significant step toward greater process understanding.