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Maximizing biomass utilization: An integrated strategy for coproducing multiple chemicals

Journal of Energy Chemistry 2025年第1期100卷 180-191页

作者： Byeongchan Ahn Sua Jo Jonggeol Na J.Jay Liu Young-Ju Kim Wangyun Won department of Chemical and Biological engineering Korea University department of Chemical engineering (Integrated process) Kyung Hee University department of Chemical engineering and Materials Science Ewha Womans University department of Chemical engineering Pukyong National University Resources engineering Plant Research department Korea Institute of Geoscience and Mineral Resources

Lignocellulosic biomass is one of the viable solutions to alleviate the global warming. However, the limited utilization of biomass majorly focused on cellulose and hemicellulose restricts the economic and environmental feasibilities. To cope with this issue, we proposed an integrated process of co-producing 1,6-hexanediol（1,6-HDO） with tetrahydrofuran and adipic acid from biomass, referred to as Strategy A. To compare the impacts of lignin upgrading and feedstock, Strategy B, which co-produces tetrahydrofuran alone, and Strategy C, which is the traditional route to produce 1,6-HDO from fossil fuels, were used. Heat networks are also designed to reduce operating costs and indirect carbon emissions due to energy consumption, saving 87% and 83% of the heat and cooling requirements, respectively, in Strategy A. The market competitiveness of Strategy A was evaluated by determining the minimum selling price through techno-economic analysis, and sustainability was thoroughly investigated by quantifying the environmental impacts through both midpoint and endpoint life-cycle assessments（LCAs）.Strategy A was found to be the most favorable both economically（USRDSCHARDOLLAR3,402.ton） and environmentally（-2..9 kg CO2.q.）. This indicates that lignin valorization is not only economically but also environmentally preferred. Finally, changes in economic and environmental feasibilities depending on economic, process, and environmental parameters were investigated using sensitivity and uncertainty analyses. The results of these analyses provide valuable insight into bio-based chemical production.

关键词： Carbon capture and utilization

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Role of copper chelating agents: between old applications and new perspectives in neuroscience

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Neural Regeneration Research 2025年第3期20卷 751-762页

作者： Rosalba Leuci Leonardo Brunetti Vincenzo Tufarelli Marco Cerini Marco Paparella Nikola Puvača Luca Piemontese department of Pharmacy-Pharmaceutical Science University of Bari Aldo MoroBariItaly department of Precision and Regenerative Medicine and Jonian Area(DiMePRe-J) Section of Veterinary Science and Animal ProductionUniversity of Bari Aldo MoroBariItaly department of engineering Management in Biotechnology Faculty of Economics and Engineering Management in Novi SadUniversity Business Academy in Novi SadNovi SadSerbia

The role of copper element has been an increasingly relevant topic in recent years in the fields of human and animal health, for both the study of new drugs and innovative food and feed supplements. This metal plays an important role in the central nervous system, where it is associated with glutamatergic signaling, and it is widely involved in inflammatory processes. Thus, diseases involving copper(Ⅱ) dyshomeostasis often have neurological symptoms, as exemplified by Alzheimer's and other diseases(such as Parkinson's and Wilson's diseases). Moreover, imbalanced copper ion concentrations have also been associated with diabetes and certain types of cancer, including glioma. In this paper, we propose a comprehensive overview of recent results that show the importance of these metal ions in several pathologies, mainly Alzheimer's disease, through the lens of the development and use of copper chelators as research compounds and potential therapeutics if included in multi-target hybrid drugs. Seeing how copper homeostasis is important for the well-being of animals as well as humans, we shortly describe the state of the art regarding the effects of copper and its chelators in agriculture, livestock rearing, and aquaculture, as ingredients for the formulation of feed supplements as well as to prevent the effects of pollution on animal productions.

关键词： agriculture Alzheimer's disease chelators copper feed supplements multi-target

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Magnetron sputtered nickel oxide with suppressed interfacial defect states for efficient inverted perovskite solar cells

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Journal of Energy Chemistry 2025年第1期100卷 348-355页

作者： Guoqiang Ma Qin Tan Zhaoning Li Jingwei Xiu Jiafeng Wang Tianle Cheng Dong He Qiang Sun Xuhang Ma Francesco Lamberti Zhubing He department of Materials Science and engineering Institute of Innovative Materials (I2M) Shenzhen Key Laboratory of Full Spectral Solar Electricity Generation (FSSEG)Southern University of Science and Technology (SUSTech) Core Research Facilities Southern University of Science and Technology department of Chemical Sciences Department of Industrial Engineering University of Padova

Widely used spin-coated nickle oxide （NiOx） based perovskite solar cells often suffer from severe interfacial reactions between the NiOxand adjacent perovskite layers due to surface defect states,which inherently impair device performance in a long-term view,even with surface molecule *** this study,we developed high-quality magnetron-sputtered NiOxthin films through detailed process optimization,and compared systematically sputtered and spin-coated NiOxthin film surfaces from materials to *** sputtered NiOxfilms exhibit improved crystallinity,smoother surfaces,and significantly reduced Ni3+or Ni vacancies compared to their spin-coated ***,the interface between the perovskite and sputtered NiOxfilm shows a substantially reduced density of defect *** solar cells （PSCs） fabricated with our optimally sputtered NiOxfilms achieved a high power conversion efficiency （PCE） of up to 19.93%and demonstrated enhanced stability,maintaining 86.2. efficiency during 500 h of maximum power point tracking under one standard sun ***,with the surface modification using (4-(2.7-dibromo-9,9-dimethylacridin-10（9H）-yl)butyl)p hosphonic acid （DMAcPA）,the device PCE was further promoted to 2..07%,which is the highest value reported for sputtered NiOxbased PSCs so far.

关键词： Perovskite

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Study of the Transport Behavior of Multispherical Proppant in Intersecting Fracture Based on Discrete Element Method

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Energy engineering 2025年第1期122卷 185-201页

作者： Chengyong Peng JianshuWu Mao Jiang Biao Yin Yishan Lou CNOOC Research Institute Company Limited Beijing100028China School of Petroleum engineering Yangtze UniversityWuhan430100China Hubei Key Laboratory of Oil and Gas Drilling and production engineering(Yangtze University) Wuhan430100China

To analyze the differences in the transport and distribution of different types of proppants and to address issues such as the short effective support of proppant and poor placement in hydraulically intersecting fractures,this study considered the combined impact of geological-engineering factors on *** reservoir production parameters and the discrete elementmethod,multispherical proppants were ***,a 3D fracture model,based on the specified conditions of the L block,employed coupled(Computational Fluid Dynamics)CFD-DEM(Discrete ElementMethod)for joint simulations to quantitatively analyze the transport and placement patterns of multispherical proppants in intersecting *** indicate that turbulent kinetic energy is an intrinsic factor affecting proppant ***,the efficiency of placement and migration distance of low-sphericity quartz sand constructed by the DEM in the main fracture are significantly reduced compared to spherical ceramic proppants,with a 2..7%decrease in the volume fraction of the fracture surface,subsequently affecting the placement concentration and damaging fracture *** to small-angle fractures,controlling artificial and natural fractures to expand at angles of 45°to 60°increases the effective support length by approximately 2..6%.During hydraulic fracturing of gas wells,ensuring the fracture support area and post-closure conductivity can be achieved by controlling the sphericity of proppants and adjusting the perforation direction to control the direction of artificial fractures.

关键词： Hydraulic fracturing discrete element method proppant sphericity CFD-DEM

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Nanosecond pulse and dual-wavelength Q-switched 1.5 μm fiber laser using MAX phase Cr2.iAlC2.saturable absorber

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Optoelectronics Letters 2025年第1期21卷 7-12页

作者： Ahmed Shakir AL-HITI Hiba HASSAN department of Electrical engineering Faculty of Engineering University of Anbar department of Laser and Optoelectronics engineering University of Technology-Iraq

We demonstrated a new type of MAX phase material, chromium titanium aluminum carbide（Cr2.iAlC2. polymer film, to generate a passively Q-switched erbium-doped fiber laser（EDFL）. The film thickness was measured to be around 45 μm, which was fabricated using the embedding method with polyvinyl alcohol（PVA） polymer as hoster. The saturable absorber（SA） film demonstrates a dual-wavelength passively Q-switched EDFL which operates at 1 531 nm and 1 560.19 nm, respectively. The Q-switching pulse duration could be varied from 2.46 μs to 770 ns, while the repetition rate varied from 92.76 kHz to 106.6 kHz with an increasing input pumping range from 154 mW to 300 mW. The maximum output power and pulse energy of 15.05 mW and 141.18 nJ were obtained at the maximum input power of 300 mW, respectively.

关键词： Saturable absorbers

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Few-shot learning for screening 2. Ga2.oS4-x supported single-atom catalysts for hydrogen production

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Journal of Energy Chemistry 2025年第1期100卷 665-673页

作者： Nabil Khossossi Poulumi Dey department of Mechanical engineering (ME) Delft University of Technology

Hydrogen generation and related energy applications heavily rely on the hydrogen evolution reaction（HER）,which faces challenges of slow kinetics and high *** electrocatalysts,particularly single-atom catalysts （SACs） on two-dimensional （2.） materials,are *** study presents a few-shot machine learning （ML） assisted high-throughput screening of 2. septuple-atomic-layer Ga2.oS4-xsupported SACs to predict HER catalytic ***,density functional theory （DFT）calculations showed that 2. Ga2.oS4is inactive for ***,defective Ga2.oS4-x（x=0–0.2.）monolayers exhibit excellent HER activity due to surface sulfur vacancies （SVs）,with predicted overpotentials （0–60 mV） comparable to or lower than commercial Pt/C,which typically exhibits an overpotential of around 50 m V in the acidic electrolyte,when the concentration of surface SV is lower than 8.3%.SVs generate spin-polarized states near the Fermi level,making them effective HER *** demonstrate ML-accelerated HER overpotential predictions for all transition metal SACs on 2. *** DFT data from 18 SACs,an ML model with high prediction accuracy and reduced computation time was *** intrinsic descriptor linking SAC atomic properties to HER overpotential was *** study thus provides a framework for screening SACs on 2. materials,enhancing catalyst design.

关键词： Hydrogen production Electrocatalyst 2. material Density functional theory Machine learning Surface sulfur vacancy

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Ru/NiMnB spherical cluster pillar for highly proficient green hydrogen electrocatalyst at high current density

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Journal of Energy Chemistry 2025年第1期100卷 397-408页

作者： Md Ahasan Habib Shusen Lin Mehedi Hasan Joni Sumiya Akter Dristy Rutuja Mandavkar Jae-Hun Jeong Jihoon Lee department of Electronic engineering College of Electronics and Information Kwangwoon University

Advanced OER/HER electrocatalytic alternatives are crucial for the wide adaptation of green hydrogen ***,Ru/NiMnB spherical cluster pillar （SCP）,denoted as Ru/NiMnB,is synthesized using a combination of electro-deposition and hydrothermal *** investigation of Ru doping in the NiMnB matrix revealed significant improvements in electrocatalytic *** Ru/NiMnB SCPs demonstrate superior OER/HER activity with low overpotentials of 150 and 103 mV at 50mA/cm2.n 1 M KOH,making them highly competitive with state-of-the-art ***,the Ru/NiMnB SCPs exhibit a low 2.E cell voltage of 2.80 V at ultra-high current density of 2.000 m A/cm2.n 1 M KOH,outperforming the standard benchmark electrodes of RuO2.|Pt/C,thereby positioning Ru/NiMnB as one of the best bifunctional *** SCPs exhibit exceptional high-current characteristics,stability and corrosion resistance,as evidenced by continuous operation at 1,000 mA/cm2.igh-current density for over 150 h in 6 M KOH at elevated temperatures under harsh industrial *** a small amount of Ru incorporation significantly enhances the electrocatalytic performances of NiMnB,attributed to increased active sites and improved intrinsic properties such as conductivity,adsorption/desorption capability and reaction ***,Ru/NiMnB SCPs present a promising bi-functional electrode concept for efficient green H2.0}.

关键词： Potassium hydroxide

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Dynamic Multi-Graph Spatio-Temporal Graph Traffic Flow Prediction in Bangkok:An Application of a Continuous Convolutional Neural Network

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Computer Modeling in engineering & Sciences 2025年第1期142卷 579-607页

作者： Pongsakon Promsawat Weerapan Sae-dan Marisa Kaewsuwan Weerawat Sudsutad Aphirak Aphithana department of Civil engineering Faculty of EngineeringRamkhamkaeng UniversityBangkok10240Thailand department of Computer engineering Faculty of EngineeringRamkhamkaeng UniversityBangkok10240Thailand department of Statistics Faculty of ScienceRamkhamkaeng UniversityBangkok10240Thailand

The ability to accurately predict urban traffic flows is crucial for optimising city ***,various methods for forecasting urban traffic have been developed,focusing on analysing historical data to understand complex mobility *** learning techniques,such as graph neural networks(GNNs),are popular for their ability to capture spatio-temporal ***,these models often become overly complex due to the large number of hyper-parameters *** this study,we introduce Dynamic Multi-Graph Spatial-Temporal Graph Neural Ordinary Differential Equation Networks(DMST-GNODE),a framework based on ordinary differential equations(ODEs)that autonomously discovers effective spatial-temporal graph neural network(STGNN)architectures for traffic prediction *** comparative analysis of DMST-GNODE and baseline models indicates that DMST-GNODE model demonstrates superior performance across multiple datasets,consistently achieving the lowest Root Mean Square Error(RMSE)and Mean Absolute Error(MAE)values,alongside the highest *** the BKK(Bangkok)dataset,it outperformed other models with an RMSE of 3.3165 and an accuracy of 0.9367 for a 2.-min interval,maintaining this trend across 40 and 60 ***,on the PeMS08 dataset,DMST-GNODE achieved the best performance with an RMSE of 19.4863 and an accuracy of 0.9377 at 2. min,demonstrating its effectiveness over longer *** Los_Loop dataset results further emphasise this model’s advantage,with an RMSE of 3.342. and an accuracy of 0.7643 at 2. min,consistently maintaining superiority across all time *** numerical highlights indicate that DMST-GNODE not only outperforms baseline models but also achieves higher accuracy and lower errors across different time intervals and datasets.

关键词： Graph neural networks convolutional neural network deep learning dynamic multi-graph spatio-temporal

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Effect of a Carbon Fibre-steel Fibre-graphite Conductive Filler on the Electrothermal Properties of Cementitious Materials

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 141-151页

作者： FAN Yanan WEI Hong ZHENG Hongyong DU Hongxiu department of Architecture and Environmental engineering Taiyuan UniversityTaiyuan 030032China College of Civil engineering Taiyuan University of TechnologyTaiyuan 030032China

Carbon fibre,steel fibre and graphite were used as conductive fillers to prepare cementitious materials with excellent electrothermal *** electrically conductive cementitious materials with different volume dosages were analysed through compressive and flexural strength,electrochemical impedance spectroscopy and temperature rise *** equivalent circuit model was established to study the electrically conductive heat generation mechanism in the electrically conductive cementitious *** results indicate that the mechanical properties of cementitious composite materials with a ternary conductive phase are better than those of pristine cementitious materials because the fibrous filler improves their mechanical ***,the incorporation of graphite in the material reduces its *** fibrous and point-like conductive phase materials into the cementitious material enhances the overall conductive pathway and considerably reduces the electrical resistance of the cementitious material,enhancing its conductive *** volume ratios of carbon fibre,steel fibre and graphite that achieve an optimal complex doping in the cementitious material were 0.35%,0.6%and 6%,*** was determined using the mutation point of each circuit element parameter as the percolation *** addition,at a certain safety voltage,there is a uniform change between the internal and surface temperatures of the conductive cementitious material,and the heating effect in this materialis is considerably better than that in the pristine cementitious material.

关键词： cementitious composites conductive fillers electrothermal properties electrochemical impedance spectroscopy

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Data-Driven Healthcare:The Role of Computational Methods in Medical Innovation

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Computer Modeling in engineering & Sciences 2025年第1期142卷 1-48页

作者： Hariharasakthisudhan Ponnarengan Sivakumar Rajendran Vikas Khalkar Gunapriya Devarajan Logesh Kamaraj department of Mechanical engineering Dr.Mahalingam College of Engineering and TechnologyPollachiCoimbatoreTamil Nadu642003India department of Mechanical engineering JKKN College of Engineering and TechnologyKumarapalayamNamakkalTamil Nadu637209India department of Mechanical engineering Gharda Institute of TechnologyLavelMaharashtra415708India department of Electrical and Electronics engineering Sri Eshwar College of EngineeringCoimbatoreTamilnadu641202India department of Mechanical engineering Vel Tech Rangarajan Dr.Sagunthala R&D Institute of Science and TechnologyChennai600062India

The purpose of this review is to explore the intersection of computational engineering and biomedical science,highlighting the transformative potential this convergence holds for innovation in healthcare and medical *** review covers key topics such as computational modelling,bioinformatics,machine learning in medical diagnostics,and the integration of wearable technology for real-time health *** findings indicate that computational models have significantly enhanced the understanding of complex biological systems,while machine learning algorithms have improved the accuracy of disease prediction and *** synergy between bioinformatics and computational techniques has led to breakthroughs in personalized medicine,enabling more precise treatment ***,the integration of wearable devices with advanced computational methods has opened new avenues for continuous health monitoring and early disease *** review emphasizes the need for interdisciplinary collaboration to further advance this *** research should focus on developing more robust and scalable computational models,enhancing data integration techniques,and addressing ethical considerations related to data privacy and *** fostering innovation at the intersection of these disciplines,the potential to revolutionize healthcare delivery and outcomes becomes increasingly attainable.

关键词： Computational models biomedical engineering bioinformatics machine learning wearable technology

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