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Machine Learning-Based Prediction of Corrosion Inhibition Efficiency of Expired Pharmaceuticals: Model Development and Application

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Journal of Bio- and Tribo-Corrosion 2025年第1期11卷 1-12页

作者： Putra, Dzaki Asari Surya Ardyansyah, Nibras Bahy Putranto, Nicholaus Verdhy Trisnapradika, Gustina Alfa Akrom, Muhamad Rustad, Supriadi Dipojono, Hermawan Kresno Maezono, Ryo Faculty of Computer Science Study Program in Informatics Engineering Universitas Dian Nuswantoro Semarang50131 Indonesia Research Center for Materials Informatics Faculty of Computer Science Universitas Dian Nuswantoro Semarang50131 Indonesia Quantum and Nano Technologies Research Group Faculty of Industrial Technology Institut Teknologi Bandung Bandung40132 Indonesia School of Information Science Japan Advanced Institute of Science and Technology Ishikawa923-1292 Japan

Corrosion poses a significant challenge in industries due to material degradation and high maintenance costs, making effective inhibitors essential. Recent studies suggest expired pharmaceuticals as alternative corrosion inhibitors, but identifying the most efficient compounds can be time-consuming. This study applies machine learning models, particularly Gradient Boosting Regressor (GBR), to predict corrosion inhibition efficiency (CIE). The developed model is integrated into a web-based application, enabling real-time, accurate CIE predictions. Results show GBR as the more precise model for predicting CIE, with low error rates. The streamlit-based web application offers a user-friendly platform, facilitating quick identification of suitable inhibitors. It is flexible, supporting analysis beyond corrosion inhibitors, and significantly enhances the efficiency of the evaluation process. © The Author(s), under exclusive licence to Springer Nature Switzerland AG 2025.

关键词： Adversarial machine learning

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D-A-π-A organic dyes with fluorenyl-substituted bulky donor for efficient dye-sensitized solar cells

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Green Chemical Engineering 2023年第4期4卷 393-398页

作者： Weiwei Zhang Huiyun Jiang Miaojie Yu Jie Wang Dong Shi Wei-Hong Zhu Yongzhen Wu Key Laboratory for Advanced Materials and Institute of Fine Chemicals Joint International Research Laboratory of Precision Chemistry and Molecular EngineeringFeringa Nobel Prize Scientist Joint Research CenterFrontiers Science Center for Materiobiology and Dynamic ChemistrySchool of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai200237China School of Optoelectronic Science and Engineering University of Electronic Science and Technology of ChinaChengdu610054China

Improving light-harvesting efficiency and suppressing interfacial charge recombination are of paramount importance to the development of Cu(Ⅱ/Ⅰ)redox shuttle-based dye-sensitized solar cells(DSSCs).Here,we present a rational molecular engineering on D-A-π-A organic sensitizers featuring with fluorenyl-substituted bulky donor(HY57,HY60,and HY61)for Cu(Ⅱ/Ⅰ)mediated *** gradually enhancing conjugation and rigidity of theπ-spacer and auxiliary acceptor moieties,the light-harvesting and electron-injection efficiencies can be simultaneously *** large size of fluorenyl-substituted arylamine donor together with abundant alkyl chains decorated on the molecular structures assist dense assembly of dye monolayer at surface of nanocrystalline TiO2,which largely suppress interfacial charge recombination *** applied in Cu(Ⅱ/Ⅰ)mediated DSSCs,the combination of an auxiliary acceptor of phenanthrene-fused-quinoxaline(PFQ)and aπ-spacer of cyclopentadithiophene(CPDT)in dye HY61 results in a simultaneous enhancement in short-circuit current(JSC)and open-circuit voltage(VOC),thus improving the power conversion efficiency(PCE)from 7.3%for reference dye HY59 to 10.3%for *** study demonstrates that rigid and fused building block is promising towards constructing highly efficient organic sensitizers.

关键词： Dye-sensitized solar cells Fluorenyl-substituted bulky donor Phenanthrene-fused-quinoxaline Electron injection Power conversion efficiency

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End-group modulation of phenazine based non-fullerene acceptors for efficient organic solar cells with high open-circuit voltage

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Journal of Energy Chemistry 2024年第1期88卷 461-468,I0011页

作者： Yahui Zhang Yafeng Li Ruixiang Peng Yi Qiu Jingyu Shi Zhenyu Chen Jinfeng Ge Cuifen Zhang Zheng Tang Ziyi Ge School of Materials Science and Engineering Shanghai UniversityShanghai 200444China Zhejiang Business Technology Institute Ningbo 315012ZhejiangChina Zhejiang Provincial Engineering Research Center of Energy Optoelectronic Materials and Devices Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201ZhejiangChina Center for Advanced Low-dimension Materials College of Materials Science and EngineeringDonghua UniversityShanghai 201620China

Phenazine-based non-fullerene acceptors(NFAs)have demonstrated great potential in improving the power conversion efficiency(PCE)of organic solar cells(OSCs).Halogenation is known to be an effective strategy for increasing optical absorption,refining energy levels,and improving molecular packing in organic ***,a series of NFAs(Pz IC-4H,Pz IC-4F,Pz IC-4Cl,Pz IC-2Br)with phenazine as the central core and with/without halogen-substituted(dicyanomethylidene)-indan-1-one(IC)as the electron-accepting end group were synthesized,and the effect of end group matched phenazine central unit on the photovoltaic performance was systematically *** photophysical and morphological analyses revealed that the PM6:Pz IC-4F blend involves efficient exciton dissociation,higher charge collection and transfer rates,better crystallinity,and optimal phase ***,OSCs based on PM6:Pz IC-4F as the active layer exhibited a PCE of 16.48%with an open circuit voltage(Voc)and energy loss of 0.880 V and 0.53 e V,***,this work demonstrated a promising approach by designing phenazine-based NFAs for achieving high-performance OSCs.

关键词： Organic solar cells Non-fullerene acceptor Phenazine Central core End group

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Cascade multi-output PET image super-resolution reconstruction based on multi-channel input 16

Cascade multi-output PET image super-resolution reconstructi...

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16th International Conference on Digital Image Processing, ICDIP 2024

作者： Wang, Xiangdong Wang, Huabin Pei, Qingwang Tang, Yuanyuan Anhui Provincial International Joint Research Center for Advanced Technology in Medical Imaging School of Computer Science and Technology Anhui University Anhui Hefei230601 China

ISBN: (数字)9781510682917

ISBN: (纸本)9781510682900

Positron Emission Tomography (PET) images suffer from low spatial resolution, resulting in suboptimal visual effects and the inability to effectively display subtle pathological areas, hindering the early detection of potential issues. To address this problem, we propose a cascade multi-output super-resolution reconstruction method based on multi-channel input. Firstly, we construct a cascade super-resolution model by introducing degradation functions to refine the LR-to-HR mapping range. Through gradual super-resolution reconstruction, we comprehensively consider information loss and deformation issues during the image resolution reduction process, providing more accurate and higher-quality super-resolution reconstruction results. Secondly, we introduce high-resolution CT images to accurately restore image texture details by incorporating additional high-frequency detail information and maintain overall image consistency by the integration of extra structural information. Finally, we incorporate region-based super-resolution detection information to adaptively reconstruct different areas of the image, avoiding distortion caused by excessive super-resolution and blurriness resulting from insufficient super-resolution. Experimental results demonstrate that our approach outperforms other methods, with SSIM, PSNR, and RMSE metrics reaching 0.9607, 34.9438, and 0.0201, respectively, achieving state-of-the-art performance. Furthermore, visual experiments demonstrate a significant improvement in the resolution of the reconstructed PET images using the method proposed in this paper. This effectively compensates for the deficiencies in the original images, providing strong support for the early detection of potential issues. © 2024 SPIE.

关键词： Positron emission tomography

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Mesoporous WO_(3)-Dot-Decorated Flexible Electrodes for the Determination of Industrial Pollutants

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Energy & Environmental Materials 2025年第2期8卷 273-283页

作者： Aneesh Koyappayil Hyunho Seok Gwan Hyun Choi Sachin Chavan Sangho Yeon Sihoon Son Anna Go Jinhyoung Lee Keon-Woo Kim Dongho Lee Hyun-Bin Choi Hyeong-U Kim Jin Kon Kim Taesung Kim Min-Ho Lee School of Integrative Engineering Chung-Ang UniversitySeoul 06974South Korea SKKU Advanced Institute of Nanotechnology(SAINT) Sungkyunkwan UniversitySuwon 16419Korea Materials Architecturing Research Center Korea Institute of Science and Technology(KIST)Seoul 02792Korea School of Mechanical Engineering Sungkyunkwan UniversitySuwon 16419Korea National Creative Research Initiative Center for Hybrid Nano Materials by High-level Architectural Design of Block Copolymer Pohang University of Science and Technology(POSTECH)PohangGyungbuk 37673Korea Department of Semiconductor Convergence Engineering Sungkyunkwan UniversitySuwon 16419Korea Semicondcutor Manufacturing Research Center Korea Institute of Machinery and Materials(KIMM)Daejeon 34103Korea Department of Nano-Mechatronics University of Science and Technology(UST)Daejeon 34113Korea

This study demonstrates the fabrication of mesoporous tungsten trioxide(WO_(3))-decorated flexible polyimide(PI)electrodes for the highly sensitive detection of catechol(CC)and hydroquinone(HQ),two environmental ***-inorganic composite dots are formed on flexible PI electrodes using evaporation-induced self-assembly(EISA)and electrospray *** EISA process is induced by a temperature gradient during electrospray,and the heated substrate partially decomposes the organic parts etched by O_(2) plasma,creating mesoporous *** pulse voltammetry and cyclic voltammetry demonstrate a linear correlation between analyte concentration and the electrochemical *** studies support the spontaneous adsorption of CC and HQ molecules on model WO_(3) *** proposed sensor shows high sensitivity,a wide linear range,and a low detection limit for both individual and simultaneous determination of CC and *** sample analysis on river water confirms practical *** WO_(3)-decorated PI electrode presents an efficient and reliable approach for detecting these pollutants,contributing to environmental safety measures.

关键词： catechol flexible sensor hydroquinone mesoporousWO_(3) simultaneous determination

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Unraveling the kinetic mechanism of atomic hybrids for the catalytic dehydrogenation of MgH2

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材料科学技术（英文版） 2025年第9期212卷 89-95页

作者： Yike Huang Cuihua An Yafei Liu Yusang Guo Huaxu Shao Huatang Yuan Huaiyu Shao Caiyun Wang Yijing Wang Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Renewable Energy Conversion and Storage CenterCollege of ChemistryCollaborative Innovation Center of Chemical Science and Engineering(Tianjin)Nankai UniversityTianjin 300071China Joint Key Laboratory of the Ministry of Education Institute of Applied Physics and Materials EngineeringUniversity of MacauAvenida da UniversidadeTaipa Macau SAR999078China Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Renewable Energy Conversion and Storage CenterCollege of ChemistryCollaborative Innovation Center of Chemical Science and Engineering(Tianjin)Nankai UniversityTianjin 300071China National Engineering Research Center for Technological Innovation Method and Tool School of Mechanical EngineeringHebei University of TechnologyTianjin 300401China Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Renewable Energy Conversion and Storage CenterCollege of ChemistryCollaborative Innovation Center of Chemical Science and Engineering(Tianjin)Nankai UniversityTianjin 300071China Joint Key Laboratory of the Ministry of Education Institute of Applied Physics and Materials EngineeringUniversity of MacauAvenida da UniversidadeTaipa Macau SAR999078China ARC Centre of Excellence for Electromaterials Science Intelligent Polymer Research InstituteAIIM FacilityUniversity of WollongongNorth WollongongNSW 2500Australia

Herein,we report the multi-metal atomic catalysts for solid-state dehydrogenation of *** aims to reveal the multi-element synergy in catalysts for solid-state hydrogen *** kinetic measurements and fitting reveal two mechanisms:one shows a maximum rate at the early stage,such as V and Cr;the other needs a temperature-sensitive preparation time for its maximum rate,such as *** combina-tion of two catalyst components demonstrates the best kinetics:V and Cr boost the initial dehydrogena-tion,and Ni benefits the further hydrogen transfer which alleviates the rate of *** work provides guidelines for the design of multi-element doped catalysts for MgH2 dehydrogenation.

关键词： Single-atom catalysts Hydrogen storage Dehydrogenation Magnesium dihydride Multi-metal catalysts

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Facile strategy for uniform gold coating on silver nanowires embedded PDMS for soft electronics

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npj Flexible Electronics 2024年第1期8卷 243-252页

作者： Haechan Park Sehyun Kim Juyeong Lee Kwangmin Kim Hanah Na Yeeun Kim Daeun Kim Donghyung Shin Bong Soo Kim Kyoseung Sim Department of Chemistry Ulsan National Institute of Science and Technology(UNIST)Ulsan44919Republic of Korea Center for Advanced Specialty Chemicals Korea Research Institute of Chemical Technology(KRICT)Ulsan44412Republic of Korea Graduate School of Semiconductor Materials and Device Engineering Ulsan National Institute of Science and Technology(UNIST)Ulsan44919Republic of Korea Graduate School of Carbon Neutrality Ulsan National Institute of Science and Technology(UNIST)Ulsan44919Republic of Korea X-Dynamic Research Center Ulsan National Institute of Science and Technology(UNIST)Ulsan44919Republic of Korea

Silver nanowires-embedded polydimethylsiloxane(AgNWs/PDMS)electrodes are promising components for various soft electronics,but face energy mismatch with organic *** at galvanic replacement,involving spontaneous gold(Au)formation on the electrodes,often result in non-uniform and particulate Au coatings,compromising device performance and *** this study,weintroduce a novel approach for achieving a uniform and complete Au coating on AgNWs/PDMS electrodes by adding NaCl to the Au complex *** addition slows down the galvanic replacement process and prevents precipitation,enabling a uniform and complete Au coating on the AgNWs *** coating significantly reduces contact resistance(RC),thereby enhancing the electrical characteristics of p-type organic ***,the development of highperformance,fully soft organic transistors was achieved incorporating an organic semiconductorelastomer ***,reliable,mechanically stable soft glucose sensor was developed,taking advantage of the complete Au coating,which protects against oxidation during the glucose sensing process.

关键词： coating stability PDMS

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Energy Oriented Three-Tier Computation Offloading Scheme in Maritime Edge Computing Network

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IEEE Transactions on Vehicular technology 2025年第5期74卷 8126-8140页

作者： Zhang, Hongxia Xi, Shiyu Shang, Bodong Zhang, Peiying Wu, Sheng Jiang, Chunxiao Qingdao Institute of Software College of Computer Science and Technology Qingdao266580 China Eastern Institute of Technology Eastern Institute for Advanced Study Ningbo315200 China Beijing University of Posts and Telecommunications School of Information and Communication Engineering Beijing100876 China Tsinghua University Beijing National Research Center for Information Science and Technology Beijing100084 China

With the development of maritime continuing to grow, large-scale maritime wireless devices (MWDs) are being deployed for various maritime applications. The rapid development of maritime Internet of Things (IoT) and growing demand for these applications have led to an increasing number of computation-intensive and resource-sensitive tasks. Considering the limited computing capacity and energy of MWDs, it is challenging to transmit and process massive maritime computing tasks in an energy efficient manner. In this paper, we propose a three-tier maritime edge computing system in which low earth orbit (LEO) satellite and offshore base station (OBS) support to provide communication and computing services for MWDs. The system optimizes association variable, task partitioning, transmission power, and computing resource allocation to reduce system energy consumption under latency constraints. The optimization problem is formulated as a mixed integer non-linear programming (MINLP) optimization problem. We decompose the original problem into four subproblems and design algorithms to solve them. Firstly, the association variable optimization subproblem is solved by slack variable method. Then, we adopt quadratic transformation and design a difference of convex algorithm to solve transmission power optimization subproblem. Further, task partitioning subproblem is solved by obtaining upper and lower bounds of offloading task size by strict deduction, and then solved by the standard convex method. Finally, Lagrangian dual method is utilized to deal with joint computing resource optimization subproblem of LEO satellite and OBS. In simulation results, the proposed algorithm saves 39.3% of system energy consumption compared to benchmark schemes. © 1967-2012 IEEE.

关键词： Computation offloading

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Sub-terahertz transmissive reconfigurable intelligent surface for integrated beam steering and self-OOK-modulation

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Light(science & Applications) 2025年第1期14卷 131-141页

作者： Dongfang Shen Feng Lan Luyang Wang Tianyang Song Munan Yang Tianyu Hu Yueting Li Xiaolei Nie Jiayao Yang Shixiong Liang Hongxin Zeng Hui-Fang Zhang Pinaki Mazumder Ziqiang Yang Yaxin Zhang Tie Jun Cui Sichuan THz Communication Technology Engineering Research Center School of Electronic Science and EngineeringUniversity of Electronic Science and Technology of ChinaChengdu611731China Yangtze Delta Region Institute(Huzhou) University of Electronic Science and Technology of ChinaHuzhou313000China Zhangjiang Laboratory Shanghai201204China School of Microelectronics Tianjin UniversityTianjin300072China Shenzhen Institute for Advanced Study University of Electronic Science and Technology of ChinaShenzhen518100China Department of Electrical Engineering and Computer Science University of MichiganAnn ArborMI48109USA Southeast University Nanjing210096China

Boasting superior flexibility in beam manipulation and a simpler framework than traditional phased arrays,terahertz metasurface-based phased arrays show great promise for 5G-A/6G communication *** with the reflective reconfigurable intelligent surface(reflective RIS),the transmissive RIS(TRIS)offers more feasibility for transceiver multiplexing systems to meet the growing demand for high-performance beam tracking in terahertz communication and radar ***,the terahertz TRIS encounters greater challenges in phase shift,beam efficiency,and complex ***,we propose a sub-terahertz TRIS based on the phase shift via Pancharatnam-Berry(PB)metasurface and self-on-off keying(OOK)modulation via Schottky *** electrically reconfigurable unit cell consists of a column-wise phase resonator and a rectangular *** experimental retrieved equivalent lumped-element circuit model is implemented in joint field-circuit simulations and is validated by experiments.A fabricated prototype demonstrates excellent performance of TRIS with the minimum insertion loss of 2.8 dB for operational states,large bandwidth nearly covering the entire W-band for 1-bit phase shift,deep OOK amplitude modulation of 12 dB,and wide scanning range of±60°with low specular *** further implement an integrated platform combining high-speed beam steering and spatial-light modulation,verifying the point-to-point signal transmissions in different directions using the TRIS *** proposed TRIS with high-performance and cost-effective fabrication makes it a promising solution to terahertz minimalist communication systems,radar,and satellite communication systems.

关键词： reconfigurable reflective resonator

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Pressure-driven metallization with significant changes of structural and photoelectric properties in two-dimensional EuSbTe_(3)

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Rare Metals 2024年第11期43卷 5943-5952页

作者： Zhi-Kai Zhu Zhong-Yang Li Zhen Qin Yi-Ming Wang Dong Wang Xiao-Hui Zeng Fu-Yang Liu Hong-Liang Dong Qing-Yang Hu Ling-Ping Kong Hao-Zhe Liu Wen-Ge Yang Yan-Feng Guo Shuai Yan Xuan Fang Wei He Gang Liu State Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures MOE Key Laboratory of New Processing Technology for Nonferrous Metals and Materialsand School of ResourcesEnvironment and MaterialsGuangxi UniversityNanning 530004China Center for High Pressure Science and Technology Advanced Research(HPSTAR) Shanghai 201203China School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China Poly Technologies INCBeijing 100010China ShanghaiTech Laboratory for Topological Physics ShanghaiTech UniversityShanghai 201210China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201204China Sch Sci State Key Lab High Power Semicond LasersChangchun University Science and TechnologyChangchun 130022China Shanghai Key Laboratory of Material Frontiers Research in Extreme Environments(MFree) Shanghai Advanced Research in Physical Sciences(SHARPS)Shanghai 201203China

Two-dimensional materials are widely considered to be highly promising for the development of *** improve the performance of these devices,researchers often employ techniques such as defect ***,pressure is employed as a clean and novel means to manipulate the structural and physical properties of EuSbTe_(3),an emerging two-dimensional *** experimental results demonstrate that the structural phase transformation of EuSbTe_(3)occurs under pressure,with an increase in infrared reflectivity,a band gap closure,and a metallization at *** with X-ray diffraction(XRD)and Raman characterizations,it is evident that the pressure-driven transition from semiconductor Pmmn phase to metallic Cmcm phase causes the disappearance of the charge density ***,at a mild pressure,approximately 2 GPa,the maximum photocurrent of EuSbTe_(3)is three times higher than that at ambient condition,suggesting an untapped potential for various practical applications.

关键词： Pressure Phase transition Metallization Photoresponse Two-dimensional(2D)

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