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5th International Conference on Computer Information science and Application Technology, CISAT 2022

作者： Zhao, Weifan Tong, Qiang Cao, Jianzhi Chen, Yuli Liu, Xiulei Laboratory of Data Science and Information Studies Computer School Beijing Info. Science & Technology University Beijing China Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Information Science and Technology University Beijing China

ISBN: (纸本)9781510660076

In commercial flight trajectory prediction, the models based on deep learning have high versatility and accurate forecast. However, these prediction models have the problem of poor effect when using small data sets. This paper proposes a commercial flight trajectory prediction model based on representative trajectory. This model consists of two parts: Representative trajectory generation and Trajectory prediction. Firstly, our model clusters the commercial flight trajectories on the same route, then generate representative trajectories to represent the route pattern. Secondly, our model uses the Savitzky-Golay filter to eliminate the noise characteristics in these representative trajectories, then combines those with a deviation correction algorithm to predict flight trajectories. By comparing with several other prediction models, the experiment results support that our model performs better in a small data set of the commercial flight trajectory. © 2022 SPIE.

关键词： Clustering algorithms

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engineering H2O2 Self-Supplying Platform for Xdynamic Therapies via Ru-Cu Peroxide Nanocarrier: Tumor Microenvironment-Mediated Synergistic Therapy

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ACS Applied materials and Interfaces 2024年第19期16卷 24172-24190页

作者： Dirersa, Worku Batu Kan, Tzu-Chun Chang, Jungshan Getachew, Girum Ochirbat, Sonjid Kizhepat, Shamsa Wibrianto, Aswandi Rasal, Akash Chen, Hung-An Ghule, Anil Vithal Chou, Tzung-Han Chang, Jia-Yaw Department of Chemical Engineering National Taiwan University of Science and Technology Taipei106335 Taiwan Graduate Institute of Medical Sciences College of Medicine Taipei Medical University Taipei11031 Taiwan International Master/Ph.D. Program in Medicine College of Medicine Taipei Medical University Taipei11031 Taiwan International Ph.D. Program for Cell Therapy and Regeneration Medicine College of Medicine Taipei Medical University Taipei11031 Taiwan Green Nanotechnology Laboratory Department of Chemistry Shivaji University Kolhapur416004 India Department of Chemical and Materials Engineering National Yunlin University of Science and Technology Yunlin64002 Taiwan

Of the most common, hypoxia, overexpressed glutathione (GSH), and insufficient H2O2 concentration in the tumor microenvironment (TME) are the main barriers to the advancment of reactive oxygen species (ROS) mediated Xdynamic therapies (X = photo, chemodynamic, chemo). Maximizing Fenton catalytic efficiency is crucial in chemodynamic therapy (CDT), yet endogenous H2O2 levels are not sufficient to attain better anticancer efficacy. Specifically, there is a need to amplify Fenton reactivity within tumors, leveraging the unique attributes of the TME. Herein, for the first time, we design RuxCu1-xO2-Ce6/CPT (RCpCCPT) anticancer nanoagent for TME-mediated synergistic therapy based on heterogeneous Ru-Cu peroxide nanodots (RuxCu1-xO2 NDs) and chlorine e6 (Ce6), loaded with ROS-responsive thioketal (TK) linked-camptothecin (CPT). The Ru-Cu peroxide NDs (RCp NDs, x = 0.50) possess the highest oxygen vacancy (OV) density, which grants them the potential to form massive Lewis’s acid sites for peroxide adsorption, while the dispersibility and targetability of the NDs were improved via surface modification using hyaluronic acid (HA). In TME, RCpCCPT degrades, releasing H2O2, Ru2+/3+, and Cu+/2+ ions, which cooperatively facilitate hydroxyl radical (•OH) formation and deactivate antioxidant GSH enzymes through a cocatalytic loop, resulting in excellent tumor therapeutic efficacy. Furthermore, when combined with laser treatment, RCpCCPT produces singlet oxygen (1O2) for PDT, which induces cell apoptosis at tumor sites. Following ROS generation, the TK linkage is disrupted, releasing up to 92% of the CPT within 48 h. In vitro investigations showed that laser-treated RCpCCPT caused 81.5% cell death from PDT/CDT and chemotherapy (CT). RCpCCPT in cancer cells produces red-blue emission in images of cells taking them in, which allows for fluorescence image-guided Xdynamic treatment. The overall results show that RCp NDs and RCpCCPT are more biocompatible and have excellent Xdynamic the

关键词： Oxidation

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High-Efficiency Photo-Induced Charge Transfer for SERS Sensing in N-Doped 3D-Graphene on Si Heterojunction

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Energy & Environmental materials 2024年第2期7卷 268-276页

作者： Guanglin Zhang Jie Sun Genwang Wei Shan Zhang Zhengyi He Huijuan Wu Bingkun Wang Siwei Yang Guqiao Ding Zhiduo Liu Zhiwen Jin Caichao Ye Gang Wang Department of Microelectronic Science and Engineering School of Physical Science and TechnologyNingbo UniversityNingbo 315211China Department of Biochemistry and Molecular Biology School of Basic Medical SciencesShenzhen UniversityShenzhen 518071China Academy for Advanced Interdisciplinary Studies&Department of Materials Science and Engineering Guangdong Provincial Key Laboratory of Computational Science and Material DesignSouthern University of Science and TechnologyShenzhen 518055China State Key Laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information TechnologyChinese Academy of SciencesShanghai 200050China Centre for Quantum Physics Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement(MOE)School of PhysicsBeijing Institute of TechnologyBeijing 100081China School of Physical Science and Technology&Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education Lanzhou UniversityLanzhou 730000China

Nitrogen-doped three-dimensional graphene(N-doped 3D-graphene)is a graphene derivative with excellent adsorption capacity,large specific surface area,high porosity,and optoelectronic ***,N-doped 3D-graphene/Si heterojunctions were grown in situ directly on silicon(Si)substrates via plasma-assisted chemical vapor deposition(PACVD),which is promising for surface-enhanced Raman scattering(SERS)substrates *** analyses of theoretical simulation,incorporating N atoms in 3D-graphene are beneficial to increase the electronic state density of the system and enhance the charge transfer between the substrate and the target *** enhancement of the optical and electric fields benefits from the stronger light-matter interaction improved by the natural nano-resonator structure of N-doped *** as-prepared SERS substrates based on N-doped 3D-graphene/Si heterojunctions achieve ultra-low detection for various molecules:10^(-8)M for methylene blue(MB)and 10^(-9)M for crystal violet(CRV)with rhodamine(R6G)of 10^(10)*** practical detected,10^(-8)M thiram was precisely detected in apple peel *** results indicate that N-doped 3D-graphene/Si heterojunctions based-SERS substrates have promising applications in low-concentration molecular detection and food safety.

关键词： charge transfer DFT simulation N-doped 3D-graphene SERS Thiram detection

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Effect of Zr addition on Knoop hardness of Mg-Sc alloys produced by single-roll rapid solidification

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Keikinzoku/Journal of Japan Institute of Light Metals 2023年第12期73卷 639-645页

作者： Minami, Hideki Yamaguchi, Tatsuya Tsukeda, Tadayoshi Aida, Tetsuo Tabata, Hironobu Program of Materials Science and Engineering Studies in Science and Engineering Graduate School of Science and Engineering University of Toyama 3190 Gofuku Toyama-shi Toyama930-8555 Japan Faculty of Sustainable Design Academic Assembly University of Toyama Toyama Toyama-shi Japan CHUETSU METAL WORKS CO. LTD. Nakaniikawa-gun Toyama Japan

Recently, it has been found that Mg-Sc alloys with a body-centered cubic (bcc) structure have excellent workability, strength and ductility, and exhibit superelasticity at room temperature. However, due to the high cost of Sc, such alloys have not yet been put into practical use. Therefore, in this study, Zr, which is less expensive than Sc, was added to a Mg-Sc alloy, and a single-roll rapid solidification method was used to directly obtain ribbons from the molten metal. The thickness of the resulting alloy ribbons was measured using a digital microscope, the crystal phase was identified using X-ray diffraction (XRD) analysis, the microstructure was observed using field-emission scanning electron microscopy, and the hardness was evaluated by a Knoop hardness test. The results indicated that continuous Mg-Sc-Zr alloy ribbons with a uniform width and a thickness of about 50 μm could be obtained. From the XRD results, the rapid cooling process caused an increase in the fraction of the bcc phase relative to that in a Mg-Sc ingot;this phase is stable at higher temperatures. The Knoop hardness of the Mg-Sc-Zr alloy ribbons was found to increase with increasing Zr content, which is considered to be due to microstructural refinement. © 2023 The Japan Institute of Light Metals.

关键词： Magnesium alloys

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Sensitivity improvement of Au-nanoparticle-based colorimetric probes via surface decoration of carbon quantum dots

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New Journal of Chemistry 2024年第22期48卷 10053-10059页

作者： Li, Yi-Ting Lo, Chien Feng Lin, Kuan-Han Liao, Pin-Chao Juan, Joon Ching Hsiao, Po-Hsuan Chen, Chia-Yun Department of Materials Science and Engineering National Cheng-Kung University Tainan 70101 Taiwan Program on Semiconductor Packaging and Testing Academy of Innovative Semiconductor and Sustainable Manufacturing National Cheng Kung University Tainan 70101 Taiwan Nanotechnology & Catalysis Research Centre Institute for Advanced Studies University of Malaya Kuala Lumpur 50603 Malaysia Hierarchical Green-Energy Materials (Hi-GEM) Research Center National Cheng Kung University No. 1 University Road Tainan 70101 Taiwan

Visually colorimetric sensing of hazardous metallic ions based on gold nanoparticles (AuNPs) has been considered a facile, on-site, and reliable monitoring route, yet the improvement of detection limit, as well as environmental pH tolerance, is still needed. Herein, we present an integrated probe design based on functionalizing AuNP cores with carbon quantum dots (CQD) as colorimetric probes for tracing Cu²⁺ ions with a limit of detection as low as 18.7 nM. Improved detection selectivity was elucidated with the reduction in thiol groups bound between CQD decorations and AuNP probes initiated by oxidation of Cu²⁺ ion analytes, thus separating crossly connected probes, depending on tracing Cu²⁺ concentrations. Moreover, distributed CQDs with negative potentials allowed the stabilization of dispersed AuNPs against re-aggregation, which caused the gradual morphological transition from aggregated features to dispersed states in microscopic view, and eventually, reflected the gradual color change from red to purple-red. The correlated practicality of colorimetric detection of the Cu²⁺ ion was further validated with sound-sensing selectivity, environmental pH resistance and tests on real samples. © 2024 The Royal Society of Chemistry

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Pt_(1)/Ni_(6)Co_(1)layered double hydroxides/N-doped graphene for electrochemical non-enzymatic glucose sensing by synergistic enhancement of single atoms and doping

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Nano Research 2023年第1期16卷 318-324页

作者： Baojun Long Peiyu Cao Yuanmeng Zhao Qianqian Fu Yan Mo Yueming Zhai Juejing Liu Xingyi Lyu Tao Li Xiaofeng Guo Changsheng Shan Minghua Zeng Ministry-of-Education Key Laboratory for the Synthesis and Application of Organic Functional Molecules College of Chemistry and Chemical EngineeringHubei UniversityWuhan 430062China Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources School of Chemistry and Pharmaceutical SciencesGuangxi Normal UniversityGuilin 541004China The Institute for Advanced Studies(IAS) Wuhan UniversityWuhan 430072China Material Science and Engineering Program Washington State UniversityPullmanWA 99164USA Department of Chemistry and Alexandra Navrotsky Institute for Experimental Thermodynamics Washington State UniversityPullmanWA 99164USA X-ray Science Division Argonne National LaboratoryArgonneIL 60439USA Department of Chemistry and Biochemistry Northern Illinois UniversityDeKalbIL 60115USA

The development of novel single-atom catalysts is important for highly efficient electrochemical catalysis and *** this work,a novel Pt single atoms(SAs)supported on Ni_(6)Co_(1)layered double hydroxides/nitrogen-doped graphene(Pt_(1)/Ni_(6)Co_(1)LDHs/NG)was constructed for electrochemical enzyme-free catalysis and sensing towards *** loading of Pt single atoms increases with doping of Co atoms that generate more anchoring sites for Pt *** resulting Pt_(1)/Ni_(6)Co_(1)LDHs/NG exhibits low oxidative potential of 0.440 V with high sensitivity of 273.78μA·mM^(−1)·cm^(−2)toward glucose,which are 85 mV lower and 15 times higher than those of Ni(OH)_(2),***_(1)/Ni_(6)Co_(1)LDHs/NG also shows excellent selectivity and great stability during 5-week *** and experimental results show that the boosted performance of Pt_(1)/Ni_(6)Co_(1)LDHs/NG originates from its stronger binding energy with glucose and the synergistic effect of Pt SAs,Co doping,and *** work provides a general strategy of designing highly active SACs for extending their application in electrochemical sensing.

关键词： single-atom catalysts electrochemical sensor layered double hydroxides nitrogen-doped graphene synergistic effect

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The effects of growth environments on WS2 in electrocatalytic hydrogen evolution reaction

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Journal of Physics and Chemistry of Solids 2024年 185卷

作者： Chang, Yung-Huang Huang, Chien-Sheng Chen, Yuan-Tsung Chiang, Chia-Yu Bachelor Program in Industrial Technology National Yunlin University of Science and Technology Yunlin Taiwan Department of Electronic Engineering National Yunlin University of Science and Technology Yunlin Taiwan Graduate School of Materials Science National Yunlin University of Science and Technology Yunlin Taiwan

Transition metal dichalcogenides (TMDs) recently have attracted much attention because of their outstanding catalytic activity, low cost, and earth abundance in the hydrogen evolution reaction (HER). Among these TMDs, MoS2 and WS2 are recognized as promising HER electrocatalysts and have been explored to be one of the candidates for replacing precious metals. In this work, the electrocatalytic activity of WS2 grown in Ar-only, Ar + H2, and ambient environments were studied, where the WS2 was synthesized by thermolysis from (NH4)2WS4 precursor. Different surface morphologies are shown under the different growth atmospheres. The structures of pure WS2, WS2 and WO3 mixed, and almost WO3 were prepared in different growth atmospheres of Ar-only, Ar + H2, and ambient environment, respectively. All the materials prepared in these different environments exhibit high crystalline characteristic. Especially, the pure WS2 grown in an Ar-only environment presents the preferred (103) lattice plane. The pure WS2 performs the best H2 evolution efficiency, indicating that high crystallinity and preferred (103) lattice plane could be relative to the electrocatalytic activity. The studies provide fundamental insight for further design and preparation of electrocatalysts, useful in the development of clean energy. © 2023 Elsevier Ltd

关键词： Electrocatalysts

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Dynamics of self-hybridized exciton–polaritons in 2D halide perovskites

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Light(science & Applications) 2024年第1期13卷 13-22页

作者： Surendra B.Anantharaman Jason Lynch Christopher E.Stevens Christopher Munley Chentao Li Jin Hou Hao Zhang Andrew Torma Thomas Darlington Francis Coen Kevin Li Arka Majumdar PJames Schuck Aditya Mohite Hayk Harutyunyan Joshua R.Hendrickson Deep Jariwala Department of Electrical and Systems Engineering University of PennsylvaniaPhiladelphiaPA19104USA KBR Inc. BeavercreekOH45431USA Air Force Research Laboratory Sensors DirectorateWright-Patterson Air Force BaseOH45433USA Department of Physics University of WashingtonSeattleWA98195USA Department of Physics Emory UniversityAtlantaGA30322USA Department of Chemical and Biomolecular Engineering Rice UniversityHoustonTX77005USA Department of Materials Science and Nanoengineering Rice UniversityHoustonTX77005USA Applied Physics Program Smalley‐Curl InstituteRice UniversityHoustonTX77005USA Department of Mechanical Engineering Columbia UniversityNew YorkNY10027USA Department of Electrical and Computer Engineering University of WashingtonSeattleWA98195USA

Excitons,bound electron–hole pairs,in two-dimensional hybrid organic inorganic perovskites(2D HOIPs)are capable of forming hybrid light-matter states known as exciton-polaritons(E–Ps)when the excitonic medium is confined in an optical *** the case of 2D HOIPs,they can self-hybridize into E–Ps at specific thicknesses of the HOIP crystals that form a resonant optical cavity with the ***,the fundamental properties of these self-hybridized E–Ps in 2D HOIPs,including their role in ultrafast energy and/or charge transfer at interfaces,remain ***,we demonstrate that>0.5µm thick 2D HOIP crystals on Au substrates are capable of supporting multiple-orders of self-hybridized E–P *** E–Ps have high Q factors(>100)and modulate the optical dispersion for the crystal to enhance sub-gap absorption and *** varying excitation energy and ultrafast measurements,we also confirm energy transfer from higher energy E–Ps to lower energy E–***,we also demonstrate that E–Ps are capable of charge transport and transfer at *** findings provide new insights into charge and energy transfer in E–Ps opening new opportunities towards their manipulation for polaritonic devices.

关键词： charge polar excitation

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Robust training of machine learning interatomic potentials with dimensionality reduction and stratified sampling

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npj Computational materials 2024年第1期10卷 2796-2806页

作者： Ji Qi Tsz Wai Ko Brandon C.Wood Tuan Anh Pham Shyue Ping Ong Materials Science and Engineering Program University of California San Diego9500 Gilman DrLa JollaCA 92093-0448USA Quantum Simulations Group Lawrence Livermore National LaboratoryLivermoreCA 94550USA Department of NanoEngineering University of California San Diego9500 Gilman DrLa JollaCA 92093-0448USA Laboratory for Energy Applications for the Future(LEAF) Lawrence Livermore National LaboratoryLivermoreCA 94550USA

Machine learning interatomic potentials(MLIPs)enable accurate simulations of materials at scales beyond that accessible by ab initio methods and play an increasingly important role in the study and design of ***,MLIPs are only as accurate and robust as the data on which they are ***,we present DImensionality-Reduced Encoded Clusters with sTratified(DIRECT)sampling as an approach to select a robust training set of structures from a large and complex configuration *** applying DIRECT sampling on the materials Project relaxation trajectories dataset with over one million structures and 89 elements,we develop an improved materials 3-body graph network(M3GNet)universal potential that extrapolates more reliably to unseen *** further show that molecular dynamics(MD)simulations with the M3GNet universal potential can be used instead of expensive ab initioMDto rapidly create a large configuration space for target *** combined this scheme with DIRECT sampling to develop a reliable moment tensor potential for titanium hydrides without the need for iterative augmentation of training *** work paves the way for robust high-throughput development of MLIPs across any compositional complexity.

关键词： stratified potential titanium

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Novel ruthenium-based catalysts with atomic dispersion for oxygen evolution reaction in water electrolysis

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materials Today Chemistry 2024年 35卷

作者： Liao, Kuo-Wei Chen, Hsueh-Yu Wei, Wen-Hui Chen, Guan-Cheng Yamanaka, Ichiro Liu, Bo-Tau Hong, Ting-Fu Chiang, Tai-Chin Huang, Hsin-Chih Wang, Chen-Hao Department of Materials Science and Engineering National Taiwan University of Science and Technology Taipei106335 Taiwan Department of Chemical Science and Engineering School of Materials and Chemical Technology Tokyo Institute of Technology Meguro-ku Tokyo152-8552 Japan Department of Chemical and Materials Engineering National Yunlin University of Science and Technology Yunlin640301 Taiwan Department of Materials Engineering National Pingtung University of Science and Technology Pingtung912301 Taiwan Global Development Engineering Program National Taiwan University of Science and Technology Taipei106335 Taiwan Advanced Manufacturing Research Center National Taiwan University of Science and Technology Taipei106335 Taiwan

This study introduces a method for fabricating ultra-high-performance catalysts designed for the oxygen evolution reaction (OER), employing a combination of ball-milling, autoclave heat treatment procedures, and a two-step heat treatment approach. This method produces catalysts characterized by an atomic dispersion of ruthenium on nitrogen-doped carbon sheets (Ru–O/N–C–NH3). The Ru–O/N–C–NH3 catalyst exhibits exceptional OER activity in alkaline conditions, achieving a mass activity of 16842 A g−1Ru at 1.52 V, and a minimal overpotential of 290 mV at a current density of 10 mA cm−2. Moreover, this catalyst demonstrates enduring stability, showing no significant decay after a 100-h stability test in anion exchange membrane water electrolysis (AEMWE), with a mass activity approximating 62000 A g−1PGM. This is nearly three orders of magnitude greater than the AEMWE that utilizes commercial IrO2 as an anode. The atomic dispersion and the Ru–O/N bonding of the catalyst are substantiated to contribute to the notable enhancement in OER activity. © 2023 Elsevier Ltd

关键词： Ruthenium

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