bluuebunny/crossref_metadata_2025_split huggingface dataset:
Performance and legacy effect of crop rotations on eastern Canadian dairy farms
Authors: Khechine Mohamed Taher , Thivierge Marie‐Noëlle , Chantigny Martin H. , Bélanger Gilles , Hassanat Fadi , Charbonneau Édith , Brégard Annie , Vanasse Anne , Royer Isabelle , Jégo Guillaume , Maillard Émilie , Tremblay Gaëtan F. , Angers Denis A. , Halde Caroline 
Published: January 2025

AbstractCrop rotations on dairy farms in eastern Canada nowadays include fewer perennial crops and more nitrogen‐demanding annual crops. This study compared, over a 7‐year rotation cycle, the agronomic performance and the legacy effect of six crop rotations that varied in crop types (perennial or annual) and nutrient sources (mineral or organic). Crop yield and nutritive value were determined on a yearly basis and cumulated over the rotation cycle. The legacy effect was assessed by growing forage corn (Zea mays L.) in year 6 and soybean [Glycine max (L.) Merr.] in year 7 in all rotations. The legacy effect of perennial forage crops manifested with a 78% lower weed biomass at harvest of forage corn in year 6 and a 14% greater soybean yield in year 7. A greater soil‐derived corn nitrogen uptake in year 6 after repeated slurry applications indicated a modest legacy effect of organic fertilization on soil N supply capacity. The presence of perennial forage crops or the use of organic fertilization did not affect cumulative dry matter or crude protein production over the 7‐year rotation cycle. The addition of alfalfa (Medicago sativa L.) in mixture with perennial grasses improved forage yield (+26%) and nutritive value (greater digestible energy and crude protein concentration) in post‐seeding years. In perennial‐based rotations, adding alfalfa to grasses resulted in greater dry matter (+22%) and crude protein (+46%) productions over the 7‐year cycle despite a fourfold reduction in N fertilizer input, attesting to the high N use efficiency of perennial legume‐based cropping systems.
Coumestans: Synthesis, Isolation, and Bioactivity
Authors: Naik Mayuri M. , Patre Rupesh E. , Tilve Santosh G. 
Published: January 2025

AbstractCoumestans are tetracyclic heterocycles having a coumarin ring and a benzofuran ring fused together, sharing a common C=C bond. A large number of oxygenated coumarins have been isolated from nature. In this review, we have compiled information to date on the natural occurrences of coumestans, their biological activity, and methods for their synthesis. We have further categorized the synthetic methods according to how the tetracycle is built, whether using the preformed coumarin ring, the furan ring, the flavonoid or by other diverse pathways.
Visible‐Light Induced Three‐Component Dearomatization of Phenols with Oxime Ester and DABSO
Authors: Wei Hu , Liu Hongyuan , Zhang Zhen‐Dong , Li Zhi‐Kai , He Yong‐Ke , Li Shaoyu , Yu Weijie 
Published: January 2025

AbstractIn this work, a visible‐light‐induced three‐component dearomatization of phenols with oxime ester and DABSO has been developed for the efficient assembly of various sulfone‐substituted cyclohexadienones under mild conditions. This dearomatization process is devoid of oxidants and does not necessitate transition metals. On the basis of mechanistic investigations, a radical tandem reaction process is proposed for the transformation.
The Role of Open‐Shell Organic Radical in Enhancing Anti‐Tumor Photocatalysis Reaction of NIR Light‐Activated Photosensitizer
Authors: Li Heng , Gu Ying , Ding Yafei , Huang Jia , Yang Zhiqiang , Ding Pengbo , Wang Mengying , Han Liang , Yang Bing , Guo Liang , Zhang Yuanzhu , He Feng , Tian Leilei 
Published: January 2025

AbstractOpen‐shell radical materials, which are characterized by unpaired electrons, have led to revolutionary breakthroughs in material science due to their unique optoelectronic properties. However, the involvement of organic radicals in photodynamic therapy (PDT) has rarely been reported or discussed. This work studies two photosensitizer analogs. 4AM‐OS with extended π‐conjugation exhibits open‐shell radical characters and enhanced type‐I photodynamic activity compared with closed‐shell 2AM‐CS. 4AM‐OS displays the thermally accessible triplet‐state character, resulting in more unpaired electrons delocalized along the π‐conjugated backbone at higher temperatures. Accordingly, the temperature‐dependent photodynamic activity of 4AM‐OS confirms its association with the open‐shell electronic structure. As the unpaired electrons in open‐shell 4AM‐OS are more delocalized and generate additional electronic energy states, photo‐induced charge transfer is promoted to facilitate type‐I photodynamic reactions. This observation addresses the challenge associated with near‐infrared (NIR) photosensitizers, such as 4AM‐OS, which often demonstrate low efficacy in PDT due to the limited energy provided by NIR light despite its superior tissue penetration depth. Overall, clarifying the beneficial role of organic radicals in photodynamic reactions will bring revolutionary breakthroughs to developing high‐performance NIR photosensitizers and promoting the efficacy of PDT for deep‐seated lesions.
Reprocessable and Recyclable Materials for 3D Printing via Reversible Thia‐Michael Reactions
Authors: Su Yong‐Liang , Yue Liang , Paul McKinley K. , Kern Joseph , Otte Kaitlyn S. , Ramprasad Rampi , Qi H. Jerry , Gutekunst Will R. 
Published: January 2025

AbstractThe development of chemically recyclable polymers for sustainable 3D printing is crucial to reducing plastic waste and advancing towards a circular polymer economy. Here, we introduce a new class of polythioenones (PCTE) synthesized via Michael addition‐elimination ring‐opening polymerization (MAEROP) of cyclic thioenone (CTE) monomers. The designed monomers are straightforward to synthesize, scalable and highly modular, and the resulting polymers display mechanical performance superior to commodity polyolefins such as polyethylene and polypropylene. The material was successfully employed in 3D printing using fused‐filament fabrication (FFF), showcasing excellent printability and mechanical recyclability. Notably, PCTE−Ph retains its tensile strength and thermal stability after multiple mechanical recycling cycles. Furthermore, PCTE−Ph can be depolymerized back to its original monomer with a 90 % yield, allowing for repolymerization and establishing a successful closed‐loop life cycle, making it a sustainable alternative for additive manufacturing applications.
pH‐Responsive Polyglycerol Nanogels for Periodontitis Treatment through Antibacterial and Pro‐Angiogenesis Action
Authors: Ma Guoxin , Xu Ke , Yu Leixiao , Haag Rainer 
Published: January 2025

AbstractPeriodontitis is a microbe‐driven inflammatory disease leading to bone resorption and tissue destruction. We propose a dual‐functional nanogel complex armed with the antimicrobial drug triclosan (TCS) and the pro‐angiogenesis medication deferoxamine (DFO) for combating microbial pathogens and promoting tissue regeneration. The nanogel system (NG‐TCS‐DFO) that we fabricated from linear polyglycerol exhibits well‐defined spherical morphology and a positively charged surface for bacteria adhesion. The rapid and sustained degradation of NG‐TCS‐DFO in the acidic environment of an infection site induces the on‐demand release of TCS and DFO. The NG‐TCS‐DFO shows potent bacteria elimination of the gingivitis‐causing bacteria Porphyromonas gingivalis in both planktonic (99.9 %) and biofilm (99 %) states. Furthermore, the NG‐TCS‐DFO can promote vascularization and migration of human umbilical vein endothelial cells (HUVECs). Contributing to the synergistic effect of TCS and DFO, the NG‐TCS‐DFO demonstrates significant bone tissue regeneration and accelerated healing of periodontitis in vivo. This polyglycerol‐based nanogel may therefore offer smart combined delivery of multiple therapeutics against bacteria‐driven diseases.
Employing Octahedral Net Charge Descriptors for Designing High‐Performance Aqueous Proton Batteries
Authors: Zhao Jun , Ma Ninggui , Wang Yuhang , Wang Zhaowei , Wang Tairan , Liang Bochun , Zhang Yaqin , Han Jian , Zhi Chunyi , Fan Jun 
Published: January 2025

AbstractRecently, aqueous proton batteries have shown promise for electrochemical energy storage using MXene electrodes. However, designing high‐performance MXene proton batteries remains challenging due to the inevitable hydrogen evolution reaction (HER), the vast chemical composition space of MXene, and the unclear proton transport mechanism. To tackle these challenges, we established a general descriptor based on structural units of MXenes, termed the octahedral net charge descriptor (Qoct). This descriptor correlates well with HER activity, capacity, and proton transport performance. Based on the descriptor, prediction reveals a dual‐proton storage mechanism per site in N‐functionalized MXene. Meanwhile, the accuracy of the descriptor is verified across a broader MXene chemical space. Additionally, the kinetic process shows the topological transformation energy barrier of the interfacial solution is profoundly influenced by Qoct, thereby impacting the proton transfer performance. This universal descriptor originates from the different electron filling states on the molecular orbitals of the octahedron. Overall, this work provides an efficient strategy for designing MXene proton batteries and can be extended to other battery and catalysis fields.
Tunable Organic‐Inorganic p‐π‐d Electron Conjugation Triggers d‐π Hybridization in Quinonized MnO2 Superlattice toward Ultrastable and High‐Rate Zn−MnO2 Batteries
Authors: Zhang Anqi , Chen Tiande , Zhao Ran , Wang Yahui , Yang Jingjing , Han Xiaomin , Wang Xinran , Wu Chuan , Bai Ying 
Published: January 2025

AbstractZn‐MnO2 batteries with two‐electron transfer harvest high energy density, high working voltage, inherent safety, and cost‐effectiveness. Zn2+ as the dominant charge carriers suffer from sluggish kinetics due to the strong Zn2+−MnO2 coulombic interaction, which is also the origin of pestilent MnO2 lattice deformation and performance degradation. Current studies particularly involve H+ insertion‐dominating chemistry, where the long‐term cycle stability remains challenging due to the accumulative Zn2+ insertion and structural collapse. Herein, a simultaneously enhanced and stabilized Zn2+/H+ co‐insertion chemistry is proposed by the quinone‐hybridized MnO2 superlattice, a first‐of‐this‐kind structure with a distinctive organic–inorganic‐extended p‐π‐d conjugation, which enables a tunable interlayer d‐π hybridization. Theoretical and experimental results substantiate that the interlayer d‐π hybridization triggers the enhancement of polarons occupancy near Fermi level, the downward shift of O p‐band center, the elevated Mn t2g occupation and thus improved [MnO6] stability upon unprecedentedly high Zn2+ contribution. The notable d‐π hybridization endows MnO2 superlattice an ultrahigh specific capacity (435.9 mAh g−1 at 0.25 A g−1), state‐of‐the‐art cycle stability (~100 % capacity retention after 30,000 cycles at 10 A g−1) with substantially enhanced rate performance. Our findings enlighten a new paradigm in the adjustment of Zn2+/H+ co‐insertion chemistry towards high‐performance rechargeable aqueous batteries.
COF‐Assisted Construction of Steric Mass‐Charge Channels to Boost Activity for High‐Performance Fuel Cells
Authors: Wen Guobin , Sun Liancheng , Qin Yanzhou , Liu Shengnan , Ma Luyao , Zhang Ningce , Liu Shuxuan , Yin Yan , Ren Bohua , Wang Shuangyin 
Published: January 2025

AbstractThe two‐dimensional lamellar materials disperse platinum sites and minimize noble‐metal usage for fuel cells, while mass transport resistance at the stacked layers spurs device failure with a significant performance decline in membrane electrode assembly (MEA). Herein, we implant porous and rigid sulfonated covalent organic frameworks (COF) into the graphene‐based catalytic layer for the construction of steric mass‐charge channels, which highly facilitates the activity of oxygen reduction reactions in both the rotating disk electrode (RDE) measurements and MEA device tests. Specifically, the normalized mass activity is remarkably boosted by 3.7 times to 1.56 A mgpt−1 after additions of suitable COF modifications in the RDE tests. Especially, an excellent maximum power density of 1.015 W cm−2 is realized on the MEA in H2/Air condition, representing a 22 % improvement through such constructions of steric mass‐charge channels. Meanwhile, the open‐circuit voltage of fuel cells demonstrates only 0.8 % reductions after 10,000 cycles of stability tests. We further extended such methodology of constructing mass‐charge channels to granular PtCo and commercial Pt/C catalysts, which demonstrates a significant impetus for stimulating the catalytic activity in fuel cells.
Theoretical Insights and Anticancer Potential of 2,6‐Bis((E)‐(2‐amino‐4‐nitrophenylimino)methyl)‐4‐methoxyphenol and Its Binuclear Cu(II) Complex
Authors: Praveen S. , Parinamachivayam G. , Jeyaraman P. , Prabakarakrishnan R. , Natarajan A. , Geetha K. , Chinnathambi Arunachalam , Alharbi Sulaiman Ali , Pugazhendhi Arivalagan , Kandasamy Sabariswaran 
Published: January 2025

ABSTRACTThis study explores the synthesis and applications of a new Schiff base, 2,6‐bis((E)‐(2‐amino‐4‐nitrophenylimino)methyl)‐4‐methoxyphenol (HL), and its copper(II) complexes. The Schiff base was prepared by reacting 2‐amino‐4‐nitroaniline with 2,6‐diformyl‐4‐methoxyphenol and characterized using techniques like microanalysis, UV–Vis, IR spectroscopy, 1H‐NMR, and LC–MS, confirming its structure. Theoretical studies provided insights into its molecular geometry and electronic properties. Cyclic voltammetry of the copper complex revealed diffusion‐controlled electrochemical behavior, involving a single‐electron transfer. Both the Schiff base and its Cu(II) complexes exhibited promising anticorrosion and anticancer activities, highlighting their multifunctional potential in industrial and biomedical applications. This study emphasizes the importance of comprehensive characterization in developing innovative materials with practical uses.
Characterization of Cs2AgInCl6: Bridging Optical and Electrical Properties for Advanced Optoelectronic Applications
Authors: Jebnouni Achref , Alatawi Abdullah A. , Bouzidi Mohamed , Alshammari Ahlam F. , Aljaloud Amjad Salamah , Alshammari Mona A. F. , Jebali Maher , Bechir Mohamed Ben 
Published: January 2025

ABSTRACTLead‐free double perovskites, such as Cs2AgInCl6, represent a promising class of materials for optoelectronic applications due to their favorable properties and environmental sustainability. This work focuses on the synthesis and comprehensive characterization of Cs2AgInCl6, employing a range of techniques including X‐ray diffraction (XRD) for structural verification, thermogravimetric analysis (TGA) to assess thermal stability, and UV–visible absorption measurements to determine the optical bandgap energy of 3.32 eV. Additionally, we explore photoluminescence (PL) and decay measurements to elucidate the luminescent properties of the compound. Complex impedance measurements are performed under both blue and red light to investigate the electrical behavior, revealing two distinct conduction mechanisms: the overlapping large–polaron tunneling (OLPT) and nonoverlapping small–polaron tunneling (NSPT). We analyze the implications of our findings on the current–voltage (I–V) behavior and trap density, further supported by Raman spectroscopy under both illumination conditions. The combined insights from optical and electrical characterizations highlight the potential of Cs2AgInCl6 in optical applications, paving the way for its use in advanced optoelectronic devices.
Investigating the Fracture Mechanisms Arising From the Inhomogeneous Shrinkage Behavior in the Anisotropic Structure of Natural Bamboo via Experimental and Numerical Methods
Authors: Ramful Raviduth 
Published: January 2025

ABSTRACTThe integration of natural materials in modern designs, architecture and infrastructure is essential to enhance the standard of living, to improve aesthetic attributes and most importantly to address the issues of global crises faced in our modern times such as climate change. Modern solution is calling for alternative materials and the consideration of natural materials may provide a wide range of benefits ranging from being sustainable to having a low carbon offset. On the downside, natural materials made of organic structure, are vulnerable to diverse number of naturally occurring or externally induced factors which can affect their rate of degradation. This study was mainly focused on one aspect of degradation based on abiotic factors which affected the durability of bamboo‐based natural materials. The study probed into the mechanisms prevailing between the interlaminar layers of bamboo anisotropic structure which resulted in random crack propagation during shrinkage of the material thereby greatly affecting their durability. To achieve the aim of this study, experimental investigation was conducted in the first place on thermally modified bamboo specimens to reveal their shrinkage behavior with respect to the anisotropic nature of the material. In second instance, numerical modeling via the Finite Element Method (FEM) was conducted to further ascertain the findings observed in the experimental study. The FEM software of LS‐DYNA was considered for that purpose and the fringe plot of XY displacement was selected to assess the zone in the material most susceptible to crack initiation and propagation. The findings of this study will have a notable significance as it will shed further light on one of the main limitations of a natural material like bamboo. The established methodology and findings could also be considered to further modify the material for improved durability in modern designs and applications.
Departing from standard practices: Strategic application of value engineering in the anatomy laboratory to enhance formaldehyde extraction using high‐impact, low‐cost, and low‐maintenance solutions
Authors: Russ Jürgen , Hammer Niels 
Published: January 2025

AbstractThis study describes the process of developing a high‐impact, low‐cost, and low‐maintenance air ventilation system for anatomy facilities. It employed the strategic application of Value Engineering (VE), assuring that the air ventilation system meets contemporary threshold limit values (TLVs) for formaldehyde in the working zone of dissection tables. A creative–innovative construction methodology was used, combining the Theory of Inventive Problem Solving (TRIZ/TIPS) and VE for an anatomy laboratory air ventilation concept. The TRIZ/TIPS aimed to resolve conflicts that impeded progress toward higher ideality, while VE aimed to develop alternative approaches to fulfill required functions at a minimal cost. The findings were first trialed in a mockup while dissecting human tissues embalmed with two protocols. The experimental results were validated by computational fluid dynamics simulations, and then followed by a pilot and commissioning phase once the physical installation of the dissection laboratory concluded. The findings demonstrate the superiority of the combined TRIZ/TIPS and VE approach in terms of air distribution and efficient formaldehyde extraction within the breathing zone. A formaldehyde exposition below 0.1 ppm, lowered air exchange rates, and system usability proved that the given third‐generation ventilation system complies with contemporary TLVs and potential changes in user requirements. The third‐generation ventilation system offers a cost‐effective, high‐impact, and low‐maintenance solution for state‐of‐the‐art air ventilation systems in the anatomy dissection laboratory. The underlying design approach ensured that formaldehyde levels in the laboratory meet the TLV and indoor air guideline values for formaldehyde exposure, at which current knowledge indicates no increased risk of cancer.
Optimization of Polymers for Organic Solar Cells: Effects of Alkyl, Fluorinated and Thiophenated Chains
Authors: Ahmad Mustamin Kalsum , Sani Sarjadi Mohd , Sarkar Shaheen M. , Kumar Sandeep , Rahman Md Lutfor 
Published: January 2025

AbstractThis paper explores optimization strategies for polymeric materials in organic solar cells (OSCs) with the focus on varying alkyl side chain, addition of fluorine atom, and thiophenated derivatives onto polymer. As such, it outlines the significance of renewable energy sources and the potential of photovoltaic technologies, particularly organic photovoltaics (OPVs). Objectives include factors affecting power conversion efficiency (PCE), open‐circuit voltage (Voc), aggregation tendencies, and optoelectronic properties in OPVs. The scope encompasses the impact of alkyl as well as the comparison between fluorinated and chlorinated polymers and the role of thiophene units to obtain an efficient organic solar cell. The review examines how alkyl chain structures influence thin film morphology, packing, and device performance, comparing linear and branched configurations. It also explores the role of halogenated polymers in modifying electronic properties and stability, focusing on the comparative performance between fluorinated and chlorinated polymers. The importance of thiophene units in polymer design for OPVs is discussed, along with performance comparisons based on different architectures. The paper summarizes key findings regarding the impact of various side chain modifications for OPVs device performance and outlines future research directions to enhance efficiency, stability, and scalability. It suggests exploring novel material design to further optimize OSCs.
Mesoporous Fe2O3‐TiO2 Integrated with Plasmonic Ag Nanoparticles for Enhanced Solar H2 Production
Authors: Mani Sunesh S , Rajendran Sivaraj , Saju Simi , Babu Bindhya M. , Mathew Thomas , Gopinath Chinnakonda S 
Published: January 2025

AbstractPresent work describes a sol‐gel assisted one‐pot synthesis of mesoporous Fe₂O₃‐TiO₂ nanocomposites (TiFe) with different Ti : Fe ratios, and fabrication of Ag‐integrated with TiFe nanocomposites (TiFeAg) by a chemical reduction method and demonstrated for high solar H2 generation activity in direct sunlight. Enhanced solar H2 production is attributed to the light absorption from entire UV+Visible region of solar spectrum combined with Schottky (Ag‐semiconductor) and heterojunctions (TiO2‐Fe2O3), as evidenced from HRTEM and various characterization studies. TiFeAg‐2 thin film (1 wt % Ag‐loaded TiFe‐4) displayed the highest activity with a solar H2 yield of 7.64 mmol h−1g−1, which is 48 times higher than that of bare TiO₂ and 5 times higher in thin film form compared to its powder counterpart. Schottky and heterojunctions formed at the interface efficiently separate the charge carriers and increase the hydrogen production activity. The highest H2 production activity of TiFeAg‐2 is partly attributed to the heterogeneous distribution of Fe3+ and metallic Ag‐species with relatively high Ag/Ti surface atomic ratio. A plausible photocatalytic reaction mechanism on TiFeAg nanocomposite may involve the direct electron transfer from both Fe2O3 and TiO2 to Ag nanoparticles which are subsequently utilized for the reduction of H+ to H2.