bluuebunny/crossref_metadata_2025_split huggingface dataset:
Extension of a 3D Geological Entity Modeling Method for Discontinuous Deformation Analysis
Authors: Wang Xing , Fu Xiaodong , Sheng Qian , Chen Jian , Kang Jingyu , Wu Jiaming 
Published: November 2024

AbstractWith the development of 3D discontinuous deformation analysis (DDA) in precise stress fields and crack propagation problems, it has also demonstrated outstanding capabilities in solving continuous–discontinuous problems. However, currently, 3D DDA modeling primarily focuses on generating rock joint networks and developing 3D cutting algorithms. Correspondingly, 3D geological modeling methods are not yet mature, and establishing 3D models often demands substantial time. The lack of supporting preprocessing modeling methods and corresponding visual operation interfaces significantly hampers the development of 3D DDA. This method builds upon advanced research achievements in unmanned aerial vehicle oblique photography, 3D reconstruction, 3D cutting, computer graphics, and visualization program design. This research establishes a 3D geological entity modeling method for 3D DDA and constructs a comprehensive program using relevant C++ libraries and C language interfaces. In this method, a 3D geological model that incorporates geological elements such as strata and faults is initially established using non‐uniform rational B‐splines (NURBSs) surfaces as the boundary of the solid model. Subsequently, finite element meshing is applied, followed by corresponding topology transformation, resulting in a 3D block system model suitable for 3D DDA calculation. To cater for diverse application scenarios, continuous–discontinuous models integrated with subblocks and models of arbitrary polyhedra can be established. The proposed method has been validated through several typical modeling examples, showing its ability to rapidly and generate 3D high‐precision geological reality models suitable for 3D DDA calculations. Additionally, some techniques used in this method can be extended for modeling other numerical simulation methods, warranting further research.
Characterization of Long‐Term Municipal Solid Waste Constitutive Behavior With Coupled Biodegradation and Fibrous Reinforcing Effects
Authors: Li Xiulei , Yang Chunwei , Zhang Yuchen , Li Yuping , Shi Jianyong , Sun Yanan 
Published: November 2024

ABSTRACTTo appropriately simulate the long‐term mechanical behavior of municipal solid waste (MSW), a constitutive model coupling the effects of biodegradation and fibrous reinforcement was developed. In the proposed model, the compressive deformation due to biodegradation was regarded as being caused by an additional equivalent stress. Considering the effect of biodegradation, an evolution equation of the equivalent stress was proposed, and a plastic volumetric strain hardening law was developed. A fibrous reinforcement parameter was introduced, which was associated with the fiber content, stress state, and plastic shear strain of MSW. A plastic shear strain hardening law was developed to model the fibrous reinforcement. Based on the associated flow rule and two plastic strain hardening laws, the proposed model was established. The proposed model well simulated the hardening properties of MSW, as evidenced by the stress‒strain curves and the consistent, nonlinear increase in volumetric strain with axial strain. The differences in the shear strength and volumetric deformation due to the confining stress and fiber content were also well simulated by the model. Furthermore, the model predictions accurately reflected the findings of experiments conducted over a period of 10 years. Finally, parametric investigations were used to calibrate this proposed model, which can well characterize the long‐term MSW mechanical behavior.
Quadratic Programming Problems and Its Solution Techniques With Neural Network Modeling
Authors: Sah Mintu Kumar , Varma Neha , Kumar Sanjay 
Published: November 2024

ABSTRACTThis paper presents a study on quadratic programming problems (QPP) and introduces a new neural network model with feasibility analysis. The stability analysis of QPP using neural network modeling is also discussed. The proposed neural network model has a simple form, and its optimal feasibility for both primal and dual QP problems is established. The model demonstrates a good convergence rate with a minimal number of iterations, achieving a very fast convergence to the exact solutions of both the primal and dual QP problems. The optimal solutions for the original QP problem and its dual QPP are obtained. Finally, two simple numerical examples are simulated to illustrate the findings.
Role of stable‐structural yarns and fabrics on the tensile and bending performance of carbon fiber resin composites
Authors: Ma Zhenyu , Yin Dongdong , Ma Zhenhao , Man Ruidong , Yin Zhenhua , Li Wenxia 
Published: November 2024

AbstractThe component yarns and fabrics effected the formability and stability of preforms, and finally determined the performance of corresponding composites. In this research, four typical fabric structures of carbon fiber resin composites (CFRC) were introduced to conduct the comparative investigation. The stability of component yarns in natural state and in fabrics have been discussed at mesoscopic scale, and the main methods to improve the structural stability of preforms were proposed. Composites with and without stable‐structural fibers and fabrics were manufactured by the modified curing process, and the yarn cross‐sections in specimens were analyzed. The tensile and bending performance of these composite specimens was comparatively conducted to discuss the influence of stable preforms on the elastic properties. The fracture mode and mechanism of specimens were illustrated in meso‐scale. The results depicted that yarns and fabrics with stable‐structural cross‐section could ensure a high fiber volume fraction, reducing the curvature of load‐bearing yarns, and effectively reduce the yarn curvature along bearing direction. The high interfacial bonding strength of composites with stable geometrical fabrics exhibited the excellent in‐plane mechanical properties, and presented the obvious brittle fracture characteristics when the fibers fully exert their load‐bearing capacity.Highlights
Stable‐structural fibers result in the prominent performance of composites.
Performance of composites with stable preforms show the low dispersion.
Stable cross‐section of component yarns can enhance the stability of preforms.
Low curvature yarns lead to brittle fracture characteristics of composites.
Epoxy resin/POSS/chitosan‐modified silica nanocomposite: Characterization of thermal and mechanical properties
Authors: Sajadifar Mohamadmahdi , Ehsani Morteza , Zaarei Davood , Khonakdar Hossein Ali 
Published: November 2024

AbstractThe present research investigated the properties of epoxy resin nanocomposites containing POSS and silica nanoparticles modified by chitosan and the effect of type and weight percent of nanoparticles on properties nanocomposites. The modification of silica by chitosan (CS) improved the mechanical and thermal performance of the nanocomposites, as evidenced by higher tensile strength, thermal stability, and ash content. At 1 wt.% of POSS, incorporation of 1 wt.% of silica resulted in the Young's modulus of 417 MPa, and the value of 717 MPa was obtained when 1 wt.% of CS was used. Also, At 1 wt.% of POSS, incorporation of 1 wt.% of silica resulted in the ash value of 9.48%, while incorporation of 1 wt.% of CS silica resulted in the ash value of 11.73%. The curing behavior of the nanocomposites was also influenced by the heating rate and the nanoparticle content. According to cure index calculations, all nanocomposite samples showed excellent cure. The nanocomposites exhibited increased hydrophobicity with higher polyhedral oligomeric silsesquioxanes (POSS) content, which could reduce the susceptibility to bacterial and microbial contamination. The morphology of the nanocomposites revealed that the modified silica improved the fracture toughness and the dispersion of the nanoparticles in the epoxy matrix. The results indicated that the surface modification of silica by chitosan could optimize the properties of the nanocomposites by adjusting the content of CS and POSS nanoparticles, and that the nanocomposite coatings could have potential applications in biomedicine.Highlights
Silica nanoparticles were successfully modified by chitosan.
Silica modification improved dispersion and distribution in the resin matrix.
Nanoparticle modification improved mechanical properties at lower content.
The presence of POSS increased contact angle from 60° to 81°.
Thermal stability was successfully improved by the designed system.
POMOPLA2: A Bio‐Based Material Solution Valorizing Tomato By‐Products for Circular Packaging Applications
Authors: Rotondo Benedetta , Zych Arkadiusz , Marinelli Andrea , Santi Romina , Del Curto Barbara , Athanassiou Athanassia , Perotto Giovanni 
Published: November 2024

ABSTRACTThe depletion of fossil resources, increasing packaging pollution, and stricter regulations require the development of sustainable alternative materials. This study presents POMOPLA2, a fully bio‐based composite that enhances circularity by valorizing industrial tomato peel by‐products within a plasticized polylactic acid (PLA) matrix. A novel bio‐based and biodegradable plasticizer derived from oils was used to successfully reduce PLA brittleness, providing higher toughness (+485%) and strain at break (+177%), a lower glass transition temperature, while enhancing the compatibility of the tomato peels, used as reinforcement. The incorporation of tomato peel biomass has the potential to reduce production costs, and we showed that it can be used to modulate mechanical performance as well as aesthetics‐sensory attributes. Low percentages of tomato peels (5% w/w) maintained translucency for flexible film packaging applications, whereas higher contents (20% w/w) proved adequate mechanical properties for rigid packaging. POMOPLA2 might implement a local circular economy in line with the European Circular Economy Action Plan, that is, to produce tomatoes' packaging to be potentially reintegrated into the biological cycle as compost, fostering a seamless nature‐to‐nature cycle.
Incipient resistance of the African maize stemborer, Busseola fusca (Lepidoptera: Noctuidae) to Cry2Ab2 maize in South Africa
Authors: Strydom Elrine , Erasmus Annemie , Friis Stephanus , Magson Jacques , Parimi Srinivas , Martinelli Samuel , Head Graham P , du Plessis Hannalene , van den Berg Johnnie 
Published: November 2024

AbstractBACKGROUNDResistance of Busseola fusca (Lepidoptera: Noctuidae) to Cry1Ab was documented in 2006, 7 years after the first cultivation of MON 810 in South Africa. This was mitigated by introducing a second‐generation Bacillus thuringiensis (Bt) maize (MON 89034), which contains the Cry1A.105 and Cry2Ab2 proteins. The first reports of B. fusca infestations of MON 89034 maize came in the KwaZulu‐Natal province (2017–2018 cropping season), followed by reports in the Mpumalanga province (2022–2023 season). Here we report results of artificial diet‐ and plant‐based laboratory assays to assess the susceptibility of B. fusca populations to the Bt proteins in MON 89034.RESULTSLarvae were sampled from nine locations which included three where greater than expected injury due to B. fusca had been reported to MON 89034. Larval mortality in assays with diet‐incorporated Cry2Ab2 protein was 100% for all except the three problem populations, showing that the Cry2Ab2 protein in MON 89034 is highly efficacious against B. fusca. In contrast, assays with Cry1A.105 did not cause significant mortality in any of the B. fusca populations including larvae from a susceptible reference. Larval survival on leaf tissue of MON 89034 maize after 7 days ranged between 75% and 91% for the three problematic B. fusca populations, compared to 0.4% to 9.6% for the five other populations.CONCLUSIONTherefore, MON 89034 is effectively a single‐mode‐of‐action technology against B. fusca and carries an inherent high risk for the evolution of resistance. This study shows that the three B. fusca populations collected from locations with greater than expected damage to MON 89034 have resistance to the Cry2Ab2 protein and therefore to MON 89034 maize. This research emphasizes the importance of resistance monitoring and implementation of effective insect resistance management tactics. © 2024 The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Cellulose Composite Aerogels with High Adsorption Capacity and Recyclability for Dye Removal
Authors: Li Yang , Liu Zhongming , Wang Shoujuan , Kong Fangong 
Published: November 2024

AbstractCellulose‐based “biomass” adsorptive materials have gained significant attention because of their effectiveness in various applications. In this study, a cellulose composite aerogel with a rich three‐dimensional network structure, low density, and high porosity was successfully obtained by the in situ self‐polymerization of dopamine (DA) and acrylamide (AM) in an alkaline urine system. Fourier transform infrared spectroscopy, scanning electron microscopy, X‐ray photoelectron spectroscopy, elemental analysis, and other analytical techniques were used to analyze the physical and chemical structures of the cellulose composite aerogels. The results revealed that the introduction of DA and AM into the aerogel enhanced the adsorption and mechanical properties of the active sites, thereby boosting adsorption capacity and recyclability. By optimizing the adsorption of methylene blue (MB) dye using a cellulose composite aerogel, a maximum adsorption capacity of 406.89 mg g was obtained. The MB dye adsorption curve of the cellulose composite aerogel conformed to the Langmuir model, which indicates high adsorption capacity and recyclability. This confirms the high application potential of the cellulose composite aerogel in wastewater treatments.
Urease Immobilization with Affinity Based Hybrid Nanopolymeric Membranes
Authors: Kuru‐Sumer Cansu İlke , Ulucan‐Karnak Fulden , Akgöl Sinan 
Published: November 2024

AbstractAffınity based hybrid nanopolymeric membranes were developed in this work as a support material to immobilize urease. The hybrid membrane exhibits the desired characteristics and has potential applications in biotechnological and biomedical processes, particularly in artificial kidney devices that remove urea from blood. In this study, it was aimed to embed p(GMA) (glycidylmethacrylate) nanoparticles into HEMA(2‐hydroxyethylmethacrylate) membranes and use them in urease enzyme immobilization. First, p(GMA) nanoparticles were synthesized with surfactant‐free emulsion polymerization method. Then, a hybrid affinity system was developed by embedding p(GMA) nanoparticles in the p(HEMA) polymeric membranes synthesized by the free radical photopolymerization method. Following the characterization studies with dry mass analysis, scanning electron microscopy (SEM) analysis, Fourier‐transform infrared spectroscopy (FTIR) analysis, Brunauer–Emmett–Teller (BET) analysis, surface area calculations, and swelling tests of the hybrid membranes, and conditions (pH, temperature, and concentration) were optimized for urease immobilization. Urease was immobilized onto p(GMA) nanoparticles embedded in p(HEMA) hybrid membranes via adsorption. The maximum urease immobilization capacity of the p(GMA) nanoparticles embedded in p(HEMA) hybrid membranes was 31.85 µg/g. The hybrid membrane exhibits the desired characteristics and has potential applications in biotechnological and biomedical processes, particularly in artificial kidney devices that remove urea from blood.
Continuous Degradation of Formaldehyde by Using NaClO2‐SA/CMC‐Na Composite Microcapsules
Authors: Zhang Xinyue , Chen Qiurong , Luo Yan 
Published: November 2024

AbstractSodium chlorite (NaClO2) is a new type of air disinfectant, which can oxidize formaldehyde into carbon dioxide (CO2) on account of releasing chlorine dioxide (ClO2) gas under acidic condition. Unfortunately, NaClO2 is prone to moisture absorption and decomposition when exposed to air. In this paper, NaClO2 was microencapsulated based on emulsion crosslinking method for improving its stability and controlled release properties. Due to their high biocompatibility, sodium alginate (SA) and sodium carboxymethyl cellulose (CMC‐Na) were selected as the wall material to prepare NaClO2‐SA/CMC‐Na composite microcapsules. The results showed that mean particle size of NaClO2‐SA/CMC‐Na composite microcapsules was about 225 nm, and their encapsulation ratio was up to 73.18%. In addition, the thermal stability and environmental tolerance of NaClO2 are improved greatly through microencapsulating. It was proved by formaldehyde degradation testing that the efficiency of formaldehyde degradation using resulted samples can continue to increase after seven days in pH 6.5 environment, indicating their good controlled‐release performance. Moreover, degradation efficiency on 30 µg/mL formaldehyde solution using the resulted microcapsules is up to 97.08%. Meanwhile, after 20 repetition degradation, NaClO2‐SA/CMC‐Na composite microcapsules can still continuously degrade formaldehyde gas. Therefore, NaClO2‐SA/CMC‐Na composite microcapsules reveal good stability and prolonged action on formaldehyde degradation.
Recent Advances in Development of Bioactive Fluorinated Pyrazole Derivatives: A Review
Authors: Amin Priyesh H. , Vekariya Rajesh H. , Dhakhda Sureshkumar K. 
Published: November 2024

AbstractFluorine, the most electronegative element, is currently used extensively in medicine, agrochemistry, and material science. Fluorinated compounds are expected to account for 30–50% of all active components now under development. It is difficult for medicinal chemists to discover new active compounds with higher efficacy, decreased mammalian toxicity, a better environmental profile, and a cheaper cost; yet, fluorinated pyrazole fits all of these criteria. The current review will provide an overview of the synthesis of pyrazoles with novel fluorinated substituents that have important uses in pharmaceutical and agricultural chemistry, with a focus on data published between 2011 and 2023. A concise table with the relevant literature references helped the reader to understand each derivative of fluorinated pyrazoles according to their biological activity.
Recent Progress on Coupling Reaction of Potassium Hexacyanoferrate(II) as an Environmentally Friendly Cyanide Source
Authors: Ma Yijun , Wen Fei , Chen Guangyuan , Zhang Yonghe , Li Zheng 
Published: November 2024

AbstractCyanidation reactions are an essential method for creating C─CN bonds. Traditional cyanidation reactions usually require the use of highly toxic and unstable cyanide sources, such as NaCN, KCN, CuCN, and TMSCN. K4[Fe(CN)6], a product of the coal chemical industry, has the advantages of high yield and low toxicity. It is a very environmentally friendly, safe, and stable cyanide source. Since 2004, K4[Fe(CN)6] has emerged as a viable alternative to conventional, highly toxic, and hazardous cyanide sources like NaCN and KCN in cyanidation reactions. Over the past two decades, significant progress has been made in studying green cyanidation reactions involving K4[Fe(CN)6]. This paper reviews the advancements in the study of cyanidation coupling reactions between substrates such as aryl halides, sulfonates, aryl carboxylic acids, aromatic aldehydes, acyl chlorides, phenols, benzyl alcohols, and aryl sulfonium salts with K4[Fe(CN)6].
Diethyl Phosphate‐Catalyzed One‐Pot Synthesis of 2,3‐Dihydroquinolin‐4(1H)‐ones from 2‐Aminoacetophenones and Benzaldehydes
Authors: He Lanfeng , Wang Enhua , Zheng Shuang , Ban Yingguo , Hou Kaiping , Yang Lishou , Yang Xiaosheng 
Published: November 2024

AbstractA diethyl phosphate (DEP)‐catalyzed one‐pot synthesis of 2,3‐dihydroquinolin‐4(1H)‐ones in DMF was achieved. Control experiments led to a plausible mechanism involving an intermolecular aldol condensation of 2‐aminoacetophenone and aldehyde, followed by a hydrogen bond‐driven cyclization. In this process, a series of 2,3‐dihydroquinolin‐4(1H)‐ones were obtained in good yields (48–84%). This strategy features transition metal‐free and short reaction times.
Synthesis of Substituted N'‐(3,5,6,7,8‐Pentafluoro‐1,4‐Dioxo‐1,4‐Dihydronaphthalen‐2‐yl)Hydrazides by Condensation of Acyl Hydrazines and Perfluoro‐1,4‐Naphthoquinone
Authors: Kudryavtseva Ekaterina N. , Lichitsky Boris V. , Tretyakov Evgeny V. 
Published: November 2024

AbstractThe reaction of different acyl hydrazines with hexafluoro‐1,4‐napthoquinone was studied for the first time. It was demonstrated that this interaction stops at the substitution of one fluorine atom in the quinone moiety. Based on the observed reaction, a general approach to the synthesis of different pentafluoro‐1,4‐dioxo‐1,4‐dihydronaphthalen‐2‐yl hydrazides was developed. It was revealed that optimal conditions for the condensation of hexafluoro‐1,4‐napthoquinone with hydrazides are reflux in MeOH for 0.25 h; note, the protocol does not require any chromatographic purification of the target products. The method is versatile and makes it possible to prepare products containing various substituents in the aryl part of the molecule. In addition, alkyl and heteroaryl hydrazides can be employed as starting compounds too, and the presence of hydroxy and cyano groups in the applied acyl hydrazines does not interfere with the condensation. The structure of one of the obtained products, namely 4‐chloro‐N□‐(3,5,6,7,8‐pentafluoro‐1,4‐dioxo‐1,4‐dihydronaphthalen‐2‐yl)benzohydrazide, was confirmed by X‐ray diffraction. In crystals of this hydrazide, both NH groups form intermolecular hydrogen bonds that give rise to layers lying in the [001] plane. Prepared N'‐(3,5,6,7,8‐pentafluoro‐1,4‐dioxo‐1,4‐dihydronaphthalen‐2‐yl)hydrazides are of interest as redox‐active ligands and precursors for obtaining a wide range of functionalized 1,4‐napthoquinones for medicine chemistry.
Unraveling the Band Structure and Orbital Character of a π‐Conjugated 2D Graphdiyne‐Based Organometallic Network
Authors: D'Agosta Paolo , Achilli Simona , Tumino Francesco , Orbelli Biroli Alessio , Di Santo Giovanni , Petaccia Luca , Onida Giovanni , Li Bassi Andrea , Lobo‐Checa Jorge , Casari Carlo S. 
Published: November 2024

AbstractGraphdiyne‐based carbon systems generate intriguing layered sp–sp2 organometallic lattices, characterized by flexible acetylenic groups connecting planar carbon units through metal centers. At their thinnest limit, they can result in 2D organometallic networks exhibiting unique quantum properties and even confining the surface states of the substrate, which is of great importance for fundamental studies. In this work, the on‐surface synthesis of a highly crystalline 2D organometallic network grown on Ag(111) is presented. The electronic structure of this mixed honeycomb‐kagome arrangement – investigated by angle‐resolved photoemission spectroscopy and scanning tunneling spectroscopy – reveals a strong electronic conjugation within the network, leading to the formation of two intense electronic band‐manifolds. In comparison to theoretical density functional theory calculations, it is observed that these bands exhibit a well‐defined orbital character that can be associated with distinct regions of the sp–sp2 monomers. Moreover, it is found that the halogen by‐products resulting from the network formation locally affect the pore‐confined states, causing a significant energy shift. This work contributes to the understanding of the growth and electronic structure of graphdiyne‐like 2D networks, providing insights into the development of novel carbon materials beyond graphene with tailored properties.